Updated on 2022/03/28

写真a

 
MATSUNAGA Katsuyuki
 
Organization
Graduate School of Engineering Materials Physics 2 Professor
Graduate School
Graduate School of Engineering
Undergraduate School
School of Engineering Physical Science and Engineering
Title
Professor
Contact information
メールアドレス

Degree 1

  1. 博士(工学) ( 1997.3   京都大学 ) 

Research Interests 1

  1. First principles calculation, Lattice defect, Grain boundary, Interface

Current Research Project and SDGs 4

  1. Diffusion barrier and pathway in ionic conductors

  2. Electronic and atomic structures of hetero-interfaces

  3. Computational Materials Science of Bio-ceramics

  4. 無機結晶における転位のナノ構造と機能

Research History 5

  1. 名古屋大学大学院工学研究科教授

    2011.4

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    Country:Japan

  2. 京都大学大学院工学研究科准教授

    2007.4 - 2011.3

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    Country:Japan

  3. 京都大学大学院工学研究科助教授

    2005.7 - 2007.3

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    Country:Japan

  4. 東京大学総合試験所助手

    2001.6 - 2005.6

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    Country:Japan

  5. 財団法人ファインセラミックスセンター研究員

    1997.4 - 2001.5

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    Country:Japan

Education 3

  1. Kyoto University   Graduate School, Division of Engineering

    1994.4 - 1997.3

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    Country: Japan

  2. Kyoto University   Graduate School, Division of Engineering

    1992.4 - 1994.3

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    Country: Japan

  3. Kyoto University   Faculty of Engineering

    1988.4 - 1992.3

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    Country: Japan

Professional Memberships 3

  1. American Ceramic Society

  2. 日本金属学会

  3. 日本セラミックス協会

Committee Memberships 7

  1. 日本セラミックス協会学術論文誌編集委員会   編集委員  

    2022.4   

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    Committee type:Academic society

  2. 日本セラミックス協会学術論文誌編集委員会   編集委員長  

    2021.4 - 2022.3   

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    Committee type:Academic society

  3. 日本セラミックス協会学術論文誌編集委員会   副編集委員長  

    2020.4 - 2021.3   

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    Committee type:Academic society

  4. 日本金属学会欧文誌編集委員会   編集委員  

    2010.4 - 2012   

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    Committee type:Academic society

  5. 日本金属学会分科会   分科会委員  

    2007.4 - 2012.5   

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    Committee type:Academic society

  6. 日本セラミックス協会セラミックス誌編集委員会   編集委員  

    2005.5 - 2007.4   

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    Committee type:Academic society

  7. 日本セラミックス協会学術論文誌編集委員会   編集委員  

    2005.4 - 2009.3   

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    Committee type:Academic society

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Awards 19

  1. 2021年度日本セラミックス協会東海支部 学術研究発表会, 優秀講演賞

    2021.11   日本セラミックス協会  

    高城杏奈, 中村篤智, 栃木栄太, 幾原雄一, 横井達矢, 松永克志

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    Country:Japan

  2. 日本金属学会2019年秋期(第165回)講演大会 第33回優秀ポスター賞

    2019.9   日本金属学会   YSZ転位近傍における酸素拡散の分子動力学解析

    藤原聡一郎、横井達矢、中村篤智、松永克志

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  3. 日本金属学会2019年秋期(第165回)講演大会 第33回優秀ポスター賞

    2019.9   日本金属学会   ZnO結晶の室温塑性変形挙動における光環境の影響

    小石川直生、大島優、中村篤智、横井達矢、松永克志

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  4. 日本金属学会2019年秋期(第165回)講演大会 第33回優秀ポスター賞

    2019.9   日本金属学会   MgOの(100)/[001]小傾角粒界における転位偏析構

    春原光希、中村篤智、栃木栄太、幾原雄一、横井達矢、松永克志

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  5. 日本金属学会 2018年秋期(第163回)講演大会 第31 回 優秀ポスター賞

    2018.9   日本金属学会   II-VI族化合物結晶におけるすべり変形と電子構造に関するDFT計算

    長原亮太、浮田昌也、大島優、横井達矢、中村篤智、松永克志

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  6. 日本セラミックス協会 第30回秋季シンポジウム 優秀講演賞

    2017.9   日本セラミックス協会   シーライト型LaNbO4における格子間酸素イオンの伝導機構解析

    榊原裕介, 豊浦和明, 横井達矢, 中村篤智, 松永克志

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  7. 日本セラミックス協会 学術賞

    2017   日本セラミックス協会  

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    Country:Japan

  8. Poster award (3rd place)

    2015.11   The 2nd International Symposium on Frontier in Materials Science (FMS2015)  

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    Country:Japan

  9. 日本金属学会秋期大会優秀ポスター賞

    2011.11   日本金属学会  

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    Country:Japan

  10. 日本金属学会功績賞

    2011.3   日本金属学会  

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    Country:Japan

  11. 本多記念研究奨励賞

    2007.5   財団法人本多記念会  

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    Country:Japan

  12. 日本金属学会論文賞(まてりあ論文)

    2006   日本金属学会  

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    Country:Japan

  13. 日本セラミックス協会学術写真賞優秀賞

    2005.3   日本セラミックス協会  

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    Country:Japan

  14. JCerSJ優秀論文賞

    2005   日本セラミックス協会  

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    Country:Japan

  15. 日本セラミックス協会井関賞

    2004.6   日本セラミックス協会  

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    Country:Japan

  16. 金属組織写真奨励賞

    2004.3   日本金属学会  

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    Country:Japan

  17. 日本金属学会第1回優秀ポスター賞

    2003.10   日本金属学会  

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    Country:Japan

  18. 金属組織写真賞佳作賞

    2003.3   日本金属学会  

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  19. 日本セラミックス協会第11回秋期シンポジウム最優秀発表賞

    1998.9   日本セラミックス協会  

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    Country:Japan

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Papers 199

  1. Extraordinary plasticity of an inorganic semiconductor in darkness Reviewed

    Oshima Yu, Nakamura Atsutomo, Matsunaga Katsuyuki

    SCIENCE   Vol. 360 ( 6390 ) page: 772-774   2018.5

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    Authorship:Last author, Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1126/science.aar6035

    Web of Science

  2. Direct imaging of Pt single atoms adsorbed on TiO2(110) surfaces Reviewed

    T.Y. Chang, Y. Tanaka, R. Ishikawa, K. Toyoura, K. Matsunaga, Y. Ikuhara, and N. Shibata

    Nano Lett.   Vol. 14   page: 134-138   2014

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    Language:English   Publishing type:Research paper (scientific journal)  

  3. Periodic nanowire array at crystal interface Reviewed

    A. Nakamura, T. Mizoguchi, K. Matsunaga, T. Yamamoto, N. Shibata, and Y. Ikuhara

    ACS Nano   Vol. 7   page: 6297-6302   2013

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  4. Accurate prediction of grain boundary structures and energetics in CdTe: a machine-learning potential approach Reviewed

    Yokoi Tatsuya, Adachi Kosuke, Iwase Sayuri, Matsunaga Katsuyuki

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   Vol. 24 ( 3 ) page: 1620 - 1629   2022.1

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1039/d1cp04329c

    Web of Science

  5. Effect of La vacancies on the oxide-ion conduction in lanthanum silicate apatites Reviewed

    Ogura Yusuke, Yokoi Tatsuya, Fujii Kotaro, Yashima Masatomo, Matsunaga Katsuyuki

    SOLID STATE IONICS   Vol. 373   2021.12

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    Language:Japanese  

    DOI: 10.1016/j.ssi.2021.115793

    Web of Science

  6. Preferential Growth Mode of Large-Sized Vacancy Clusters in Silicon: A Neural-Network Potential and First-Principles Study Reviewed

    Ushiro Takuto, Yokoi Tatsuya, Noda Yusuke, Kamiyama Eiji, Ohbitsu Masato, Nagakura Hiroki, Sueoka Koji, Matsunaga Katsuyuki

    JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 125 ( 48 ) page: 26869 - 26882   2021.12

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    Language:Japanese  

    DOI: 10.1021/acs.jpcc.1c07973

    Web of Science

  7. First-principles based theoretical calculations of atomic structures of hydroxyapatite surfaces and their charge states in contact with aqueous solutions Reviewed

    Saito T., Yokoi T., Nakamura A., Matsunaga K.

    RSC ADVANCES   Vol. 11 ( 54 ) page: 34004 - 34014   2021.10

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    Authorship:Last author, Corresponding author   Language:English  

    DOI: 10.1039/d1ra06311a

    Web of Science

  8. Segregation mechanism of arsenic dopants at grain boundaries in silicon

    Y. Ohno, T. Yokoi, Y. Shimizu, J. Ren, K. Inoue, Y. Nagai, K. Kutsukake, K. Fujiwara, A. Nakamura, K. Matsunaga and H. Yoshida

    Sci. Tech. Adv. Mater.   Vol. 1   page: 169 - 180   2021.10

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  9. Direct imaging of atomistic grain boundary migration Reviewed

    Wei Jiake, Feng Bin, Ishikawa Ryo, Yokoi Tatsuya, Matsunaga Katsuyuki, Shibata Naoya, Ikuhara Yuichi

    NATURE MATERIALS   Vol. 20 ( 7 ) page: 951 - +   2021.7

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  10. Donor and acceptor-like self-doping by mechanically induced dislocations in bulk TiO2 Reviewed

    Muhammad Qaisar Khushi, Porz Lukas, Nakamura Atsutomo, Matsunaga Katsuyuki, Rohnke Marcus, Janek Juergen, Roedel Juergen, Froemling Till

    NANO ENERGY   Vol. 85   2021.7

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  11. Conceptual Framework for Dislocation-Modified Conductivity in Oxide Ceramics Deconvoluting Mesoscopic Structure, Core, and Space Charge Exemplified for SrTiO3 Reviewed

    Porz Lukas, Froemling Till, Nakamura Atsutomo, Li Ning, Maruyama Ryohei, Matsunaga Katsuyuki, Gao Peng, Simons Hugh, Dietz Christian, Rohnke Marcus, Janek Juergen, Roedel Juergen

    ACS NANO   Vol. 15 ( 6 ) page: 9355 - 9367   2021.6

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    Language:Japanese  

    DOI: 10.1021/acsnano.0c04491

    Web of Science

  12. Nitriding synthesis and structural change of phosphorus nitrides at high pressures Reviewed

    Niwa Ken, Iijima Yasunori, Ukita Masaya, Toda Ryuta, Toyoura Kazuaki, Sasaki Takuya, Matsunaga Katsuyuki, Gaida Nico Alexander, Hasegawa Masashi

    JOURNAL OF RAMAN SPECTROSCOPY   Vol. 52 ( 5 ) page: 1064 - 1072   2021.5

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1002/jrs.6079

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  13. An origin of excess vibrational entropies at grain boundaries in Al, Si and MgO: a first-principles analysis with lattice dynamics Reviewed

    Yokoi T., Ikawa K., Nakamura A., Matsunaga K.

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   Vol. 23 ( 16 ) page: 10118 - 10129   2021.4

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    DOI: 10.1039/d1cp00790d

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  14. Switching the fracture toughness of single-crystal ZnS using light irradiation Reviewed

    Zhu Tingting, Ding Kuan, Oshima Yu, Amiri Anahid, Bruder Enrico, Stark Robert W., Durst Karsten, Matsunaga Katsuyuki, Nakamura Atsutomo, Fang Xufei

    APPLIED PHYSICS LETTERS   Vol. 118 ( 15 )   2021.4

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    DOI: 10.1063/5.0047306

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  15. Photoindentation: A New Route to Understanding Dislocation Behavior in Light Reviewed

    Nakamura Atsutomo, Fang Xufei, Matsubara Ayaka, Tochigi Eita, Oshima Yu, Saito Tatsushi, Yokoi Tatsuya, Ikuhara Yuichi, Matsunaga Katsuyuki

    NANO LETTERS   Vol. 21 ( 5 ) page: 1962 - 1967   2021.3

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  16. Crystal and Electronic Structures of MoSi2-Type CrGe2 Synthesized under High Pressure Reviewed

    Sasaki Takuya, Kanie Kota, Yokoi Tatsuya, Niwa Ken, Gaida Nico Alexander, Matsunaga Katsuyuki, Hasegawa Masashi

    INORGANIC CHEMISTRY   Vol. 60 ( 3 ) page: 1767 - 1772   2021.2

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  17. Stable and metastable structures and their energetics of asymmetric tilt grain boundaries in MgO: a simulated annealing approach Reviewed

    Yokoi T., Kondo Y., Ikawa K., Nakamura A., Matsunaga K.

    JOURNAL OF MATERIALS SCIENCE   Vol. 56 ( 4 ) page: 3183 - 3196   2021.2

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1007/s10853-020-05488-4

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  18. Crystal and Electronic Structures of MoSi2-Type CrGe2 Synthesized under High Pressure Invited Reviewed

    T. Sasaki, K. Kanie, T. Yokoi, K. Niwa, N.A. Gaida, K. Matsunaga, M. Hasegawa

    Inorganic Chemistry   Vol. 60 ( 3 ) page: 1767 - 1772   2021.2

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    DOI: https://doi.org/10.1021/acs.inorgchem.0c03240

  19. Advanced superhard composite materials with extremely improved mechanical strength by interfacial segregation of dilute dopants Reviewed

    Nishi Tomohiro, Matsunaga Katsuyuki, Mitsuoka Takeshi, Okimura Yasuyuki, Katsu Yusuke

    SCIENTIFIC REPORTS   Vol. 10 ( 1 )   2020.12

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  20. First-principles analysis of oxide-ion conduction mechanism in neodymium silicate Reviewed

    Ogura Yusuke, Yokoi Tatsuya, Toyoura Kazuaki, Matsunaga Katsuyuki

    SOLID STATE IONICS   Vol. 355   2020.11

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.ssi.2020.115367

    Web of Science

  21. Formation energies and site preference of substitutional divalent cations in carbonated apatite Reviewed

    Saito Tatsushi, Yokoi Tatsuya, Nakamura Atsutomo, Matsunaga Katsuyuki

    JOURNAL OF THE AMERICAN CERAMIC SOCIETY   Vol. 103 ( 9 ) page: 5354 - 5364   2020.9

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1111/jace.17263

    Web of Science

  22. Carrier-trapping induced reconstruction of partial-dislocation cores responsible for light-illumination controlled plasticity in an inorganic semiconductor Reviewed

    Matsunaga Katsuyuki, Hoshino Sena, Ukita Masaya, Oshima Yu, Yokoi Tatsuya, Nakamura Atsutomo

    ACTA MATERIALIA   Vol. 195   page: 645 - 653   2020.8

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.actamat.2020.06.010

    Web of Science

  23. Room-temperature creep deformation of cubic ZnS crystals under controlled light conditions Reviewed

    Oshima Yu, Nakamura Atsutomo, Lagerlof K. Peter D., Yokoi Tatsuya, Matsunaga Katsuyuki

    ACTA MATERIALIA   Vol. 195   page: 690 - 697   2020.8

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.actamat.2020.06.016

    Web of Science

  24. Direct Measurement of Electronic Band Structures at Oxide Grain Boundaries Reviewed

    Wei Jiake, Ogawa Takafumi, Feng Bin, Yokoi Tatsuya, Ishikawa Ryo, Kuwabara Akihide, Matsunaga Katsuyuki, Shibata Naoya, Ikuhara Yuichi

    NANO LETTERS   Vol. 20 ( 4 ) page: 2530 - 2536   2020.4

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1021/acs.nanolett.9b05298

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  25. Dependence of excess vibrational entropies on grain boundary structures in MgO: A first-principles lattice dynamics Reviewed

    Yokoi T., Arakawa Y., Ikawa K., Nakamura A., Matsunaga K.

    PHYSICAL REVIEW MATERIALS   Vol. 4 ( 2 )   2020.2

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.1103/PhysRevMaterials.4.026002

    Web of Science

  26. Neural-network interatomic potential for grain boundary structures and their energetics in silicon Reviewed

    Yokoi T., Noda Y., Nakamura A., Matsunaga K.

    PHYSICAL REVIEW MATERIALS   Vol. 4 ( 1 )   2020.1

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    DOI: 10.1103/PhysRevMaterials.4.014605

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  27. Controlled release of DNA from zinc and magnesium ion-doped hydroxyapatites Reviewed

    Kojima Chie, Watanabe Kenji, Murata Hidenobu, Nishio Yuki, Makiura Rie, Matsunaga Katsuyuki, Nakahira Atsushi

    RESEARCH ON CHEMICAL INTERMEDIATES   Vol. 45 ( 1 ) page: 23-32   2019.1

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1007/s11164-018-3626-3

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  28. Theoretical Calculations of Characters and Stability of Glide Dislocations in Zinc Sulfide Reviewed

    Ukita Masaya, Nagahara Ryota, Oshima Yu, Nakamura Atsutomo, Yokoi Tatsuya, Matsunaga Katsuyuki

    MATERIALS TRANSACTIONS   Vol. 60 ( 1 ) page: 99 - 104   2019

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    Language:Japanese   Publishing type:Research paper (scientific journal)  

    DOI: 10.2320/matertrans.M2018253

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  29. Oxide-ion conduction via interstitials in scheelite-type LaNbO4: a first-principles study Reviewed

    Toyoura Kazuaki, Sakakibara Yusuke, Yokoi Tatsuya, Nakamura Atsutomo, Matsunaga Katsuyuki

    JOURNAL OF MATERIALS CHEMISTRY A   Vol. 6 ( 25 ) page: 12004-12011   2018.7

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    Authorship:Last author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1039/c8ta02859a

    Web of Science

  30. Interaction of sodium atoms with stacking faults in silicon with different Fermi levels Reviewed

    Ohno Yutaka, Morito Haruhiko, Kutsukake Kentaro, Yonenaga Ichiro, Yokoi Tatsuya, Nakamura Atsutomo, Matsunaga Katsuyuki

    APPLIED PHYSICS EXPRESS   Vol. 11 ( 6 )   2018.6

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    DOI: 10.7567/APEX.11.061303

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  31. Structural analyses of sodium cations embedded within zeolitic nanocavities Reviewed

    Yoshida Kaname, Toyoura Kazuaki, Matsunaga Katsuyuki, Nakahira Atsushi, Kurata Hiroki, Ikuhara Yumi H., Sasaki Yukichi

    MICROPOROUS AND MESOPOROUS MATERIALS   Vol. 259   page: 195-202   2018.3

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.micromeso.2017.10.008

    Web of Science

  32. Structure of the Basal Edge Dislocation in ZnO Reviewed

    Nakamura Atsutomo, Tochigi Eita, Nagahara Ryota, Furushima Yuho, Oshima Yu, Ikuhara Yuichi, Yokoi Tatsuya, Matsunaga Katsuyuki

    CRYSTALS   Vol. 8 ( 3 )   2018.3

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    DOI: 10.3390/cryst8030127

    Web of Science

  33. < 100 > Dislocation at a {20} low-angle grain boundary in LiNbO3 Reviewed

    Furushima Yuho, Nakamura Atsutomo, Tochigi Eita, Ikuhara Yuichi, Toyoura Kazuaki, Matsunaga Katsuyuki

    JOURNAL OF MATERIALS SCIENCE   Vol. 53 ( 1 ) page: 333-344   2018.1

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    Authorship:Last author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1007/s10853-017-1532-5

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  34. Electronic and atomic structures of edge and screw dislocations in rock salt structured ionic crystals Reviewed

    Ukita Masaya, Nakamura Atsutomo, Yokoi Tatsuya, Matsunaga Katsuyuki

    PHILOSOPHICAL MAGAZINE   Vol. 98 ( 24 ) page: 2189-2204   2018

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    DOI: 10.1080/14786435.2018.1478146

    Web of Science

  35. <10-10> dislocation at a {2-1-10} low-angle grain boundary in LiNbO3 Reviewed

    Y. Furushima, A. Nakamura, E. Tochigi, Y. Ikuhara, K. Toyoura, K. Matsunaga

    J. Mater. Sci.   Vol. 53   page: 333-344   2018

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  36. Room-Temperature Plastic Deformation of Strontium Titanate Crystals Grown from Different Chemical Compositions Reviewed

    Nakamura Atsutomo, Yasufuku Kensuke, Furushima Yuho, Toyoura Kazuaki, Lagerlof K. Peter D., Matsunaga Katsuyuki

    CRYSTALS   Vol. 7 ( 11 )   2017.11

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    Authorship:Last author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.3390/cryst7110351

    Web of Science

  37. Another origin of yield drop behavior in sapphire deformed via basal slip: Recombination of climb-dissociated partial dislocations Reviewed

    Nakamura Atsutomo, Matsunaga Katsuyuki, Tochigi Eita, Shibata Naoya, Ikuhara Yuichi, Lagerlof K. Peter D.

    SCRIPTA MATERIALIA   Vol. 138   page: 109-113   2017.9

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.scriptamat.2017.06.001

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  38. Nonstoichiometric [012] dislocation in strontium titanate Reviewed

    Furushima Yuho, Arakawa Yuki, Nakamura Atsutomo, Tochigi Eita, Matsunaga Katsuyuki

    ACTA MATERIALIA   Vol. 135   page: 103-111   2017.8

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    DOI: 10.1016/j.actamat.2017.06.017

    Web of Science

  39. Cooperative oxide-ion conduction in apatite-type lanthanum germanate-A first principles study Reviewed

    Imaizumi Kouta, Toyoura Kazuaki, Nakamura Atsutomo, Matsunaga Katsuyuki

    JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 125 ( 3 ) page: 105-111   2017.3

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    Authorship:Last author, Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.2109/jcersj2.16260

    Web of Science

  40. A First-Principles Study on Proton Conductivity of Acceptor-Doped Tin Pyrophosphate Reviewed

    Toyoura Kazuaki, Terasaka Junya, Nakamura Atsutomo, Matsunaga Katsuyuki

    JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 121 ( 3 ) page: 1578-1584   2017.1

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    Authorship:Last author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1021/acs.jpcc.6b12532

    Web of Science

  41. First-principles calculations on slip system activation in the rock salt structure: electronic origin of ductility in silver chloride Reviewed

    Nakamura Atsutomo, Ukita Masaya, Shimoda Naofumi, Furushima Yuho, Toyoura Kazuaki, Matsunaga Katsuyuki

    PHILOSOPHICAL MAGAZINE   Vol. 97 ( 16 ) page: 1281-1310   2017

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1080/14786435.2017.1294270

    Web of Science

  42. Physical origin of unusual anisotropic motion of columnar oxygen ions in apatite-type fast ionic conductor of lanthanum silicate Reviewed

    K. Matsunaga, K. Imaizumi, A. Nakamura, K. Toyoura

    J. Phys. Chem. C   Vol. 121   page: 20621-20628   2017

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  43. Ionic conduction mechanisms of apatite-type lanthanum silicate and germanate from first principles Reviewed

    K. Matsunaga

    J. Ceram. Soc. Jpn   Vol. 125   page: 670-676   2017

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  44. First-principles calculations on slip system activation in the rock salt structure: Electronic origin of ductility in silver chloride Reviewed

    A. Nakamura, M. Ukita, N. Shimoda, Y. Furushima, K. Toyoura, K. Matsunaga

    Philo. Mag.   Vol. 97   page: 1281-1310   2017

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  45. Nonstoichiometric [012] dislocation in strontium titanate Reviewed

    Y. Furushima, Y. Arakawa, A. Nakamura, E. Tochigi, and K. Matsunaga

    Acta Mater.   Vol. 135   page: 103-111   2017

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  46. Another origin of yield drop behavior in sapphire deformed via basal slip: Recombination of climb-dissociated partial dislocations Reviewed

    A. Nakamura, K. Matsunaga, E. Tochigi, N. Shibata, Y. Ikuhara, and K.P.D. Lagerlöf

    Scripta Mater.   Vol. 138   page: 109-113   2017

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  47. Adsorption sites of single noble metal atoms on the rutile TiO2(110) surface influenced by different surface oxygen vacancies Reviewed

    K. Matsunaga, T.Y. Chang, R. Ishikawa, Q. Dong, K. Toyoura, A. Nakamura, Y. Ikuhara, and N. Shibata

    J. Phys. Condens. Matter   Vol. 28   page: 175002(8 pages)   2016

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  48. Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO3 Reviewed

    Y. Furushima, A. Nakamura, Eta Tochigi, Y. Ikuhara, K. Toyoura, K. Matsunaga

    J. Appl. Phys.   Vol. 120   page: 1421007(10 pages)   2016

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  49. Pressure-induced phase transition of calcite and aragonite: A first principles study Reviewed

    M. Ukita, K. Toyoura, A. Nakamura, K. Matsunaga

    J. Appl. Phys.   Vol. 120   page: 142118(8 pages)   2016

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  50. 第一原理計算に基づいたアパタイト型酸素イオン伝導体の酸素イオン伝導機構解析

    松永克志

    セラミックデータベース   Vol. 44   page: 67-70   2016

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  51. Ab initio simulation of elastic and mechanical properties of Zn- and Mg-doped Hydroxyapatite Reviewed

    S. Aryal, K. Matsunaga, W.Y. Ching

    J. Mech. Behav. Biomed. Mater.   Vol. 47   page: 135-146   2015

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  52. First-principles calculations of divalent substitution of Ca2+ in tricalcium phosphates Reviewed

    K. Matsunaga, T. Kubota, K. Toyoura, and A. Nakamura

    Acta Biomater.   Vol. 23   page: 329-337   2015

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  53. First-principles analysis of proton conduction mechanism in pyrochlore-structured lanthanum zirconate Reviewed

    K. Toyoura, A. Nakamura, and K. Matsunaga

    J. Phys. Chem. C   Vol. 118   page: 064103   2015

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  54. Hydroxide-ion incorporation and conduction mechanisms in tin pyrophosphate, A first-principles study Reviewed

    J. Terasaka, K. Toyoura, A. Nakamura, and K. Matsunaga

    J. Mater. Chem. A   Vol. 3   page: 11905-11911   2015

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  55. リン酸カルシウムのナノ構造と機能ー第一原理計算からのアプローチー Invited Reviewed

    松永克志、豊浦和明、中村篤智

    Phosphorus Letter   ( 83 ) page: 26-34   2015

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  56. First-principles study on phase transition and ferroelectricity in pseudo-Ilmenite lithium niobate and tantalate Reviewed

    K. Toyoura, M. Ohta, A. Nakamura, and K. Matsunaga

    J. Appl. Phys.   Vol. 118   page: 064103   2015

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  57. Strong Correlation in one-dimensional oxygen ion conduction of apatite-type lanthanum silicate Reviewed

    K. Imaizumi, K. Toyoura, A. Nakamura, K. Matsunaga

    J. Phys. Condens. Matt.   Vol. 27   page: 365601   2015

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  58. First-principles analysis on proton diffusivity in La3NbO7 Reviewed

    K. Kato, K. Toyoura, A. Nakamura, and K. Matsunaga

    Solid State Ionics   Vol. 262   page: 472-475   2014

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  59. Proton incorporation and migration in monazite-structured oxides Reviewed

    K. Toyoura, A. Nakamura, and K. Matsunaga

    AMTC Lett.   Vol. 4   page: 104-105   2014

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  60. A theoretical study of temperature dependence of vacancy formation at grain boundaries in non-doped a-alumina Reviewed

    T. Ogawa, A. Kuwabara, C.A.J. Fisher, H. Moriwake, T. Matsudaira, K. Matsunaga, and S. Kitaoka

    AMTC Lett.   Vol. 4   page: 106-107   2014

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  61. First-principles studies of energetics of slip deformation in NaCl and AgCl Reviewed

    N. Shimoda, Y. Furushima, K. Toyoura, A. Nakamura, and K. Matsunaga

    AMTC Lett.   Vol. 4   page: 128-129   2014

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  62. First-principles analyses of proton incorporation in calcium phosphate Reviewed

    T. Sugimoto, K. Toyoura, A. Nakamura, and K. Matsunaga

    AMTC Lett.   Vol. 4   page: 126-127   2014

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  63. First-principles study on atomic structure and stability of ferroelectric domains in lithium niobate Reviewed

    A. Goto, K. Toyoura, A. Nakamura, and K. Matsunaga

    AMTC Lett.   Vol. 4   page: 124-125   2014

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  64. Atomic sites and stability of Cs+ adsorbed within NaA zeolite Reviewed

    K. Yoshida, K. Toyoura, K. Matsunaga, A. Nakahira, H. Kurata, Y. Ikuhara, and Y. Sasaki

    AMTC Lett.   Vol. 4   page: 172-173   2014

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  65. First-principles analysis on proton diffusivity in La3NbO7 Reviewed

    K. Kato, K. Toyoura, A. Nakamura, and K. Matsunaga

    Solid State Ionics   Vol. 262   page: 472-475   2014

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  66. Stable sites and diffusion pathways of interstitial oxide ions in lanthanum germinate Reviewed

    K. Imaizumi, K. Toyoura, A. Nakamura, and K. Matsunaga

    Solid State Ionics   Vol. 262   page: 512-516   2014

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  67. The effect of chemical potential on the thermodynamic stability of carbonate ions in hydroxyapatite Reviewed

    T. Kubota, A. Nakamura, K. Toyoura, and K. Matsunaga

    Acta Biomater.   Vol. 10   page: 3716-3722   2014

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  68. Cytotoxicity of stoichiometric hydroxyapatites with different crystallite sizes Reviewed

    K. Shitara, H. Murata, K. Watanabe, C. Kojima, Y. Sumida, A. Nakamura, A. Nakahira, I. Tanaka, and K. Matsunaga

    J. Asian Ceram. Soc.   Vol. 2   page: 64-67   2014

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  69. A density functional study of vacancy formation in grain boundaries of undoped a-alumina Reviewed

    T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwakea, K. Matsunaga, K. Tsuruta, S. Kitaoka

    Acta Mater.   Vol. 69   page: 365-371   2014

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  70. Boundary dislocations at a low angle grain boundary including twist component in LiNbO3 Reviewed

    A. Nakamura, Y. Furushima, E. Tochigi, Y. Ikuhara, K. Toyoura, and K. Matsunaga

    AMTC Lett.   Vol. 4   page: 20-21   2014

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  71. Existence of basal oxygen vacancies on the rutile TiO2(110) surface Reviewed

    K. Matsunaga, Y. Tanaka, K. Toyoura, A. Nakamura, Y. Ikuhara, and N. Shibata

    Phys. Rev. B   Vol. 90   page: 195303(6 pages)   2014

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  72. Theoretical calculations of segregation behavior of zinc and magnesium at hydroxyapatite surface in contact with water Reviewed

    M. Mori, K. Matsunaga, T. Kubota, A. Goto, K. Toyoura, A. Nakamura, and I. Tanaka

    Mater. Trans.   Vol. 54   page: 1262-1267   2013

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  73. Atomic sites and stability of Cs+ captured within zeolitic nanocavities Reviewed

    K. Yoshida, K. Toyoura, K. Matsunaga, A. Nakahira, H. Kurata, Y.H. Ikuhara, and Y. Sasaki

    Scientific Reports   Vol. 3   page: 2457(5 pages)   2013

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  74. Proton conducting network in lanthanum orthophosphate Reviewed

    K. Toyoura, N. Hatada, Y. Nose, I. Tanaka, K. Matsunaga, and T. Uda

    J. Phys. Chem. C   Vol. 116   page: 19117-19124   2012

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  75. Direct observation of the cleavage plane of sapphire by in-situ indentation TEM Reviewed

    T. Sasaki, N. Shibata, K. Matsunaga, T. Yamamoto, and Y. Ikuhara

    J. Ceram. Soc. Jpn   Vol. 120   page: 473-477   2012

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  76. First-principles analysis of oxide-ion conduction mechanism in lanthanum silicate Reviewed

    K. Matsunaga and K. Toyoura

    J. Mater. Chem.   Vol. 22   page: 7265-7273   2012

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  77. Grain boundary character dependence of oxygen grain boundary diffusion in alpha-Al2O3 bicrystals Reviewed

    T. Nakagawa, H. Nishimura, I. Sakaguchi, N. Shibata, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Scripta Mater.   Vol. 65   page: 544-547   2011

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  78. First principle pseudopotential calculation of electron energy loss near edge structure of lattice imperfections Reviewed

    T. Mizoguchi, K. Matsunaga, E. Tochigi, Y. Ikuhara

    Micron   Vol. 43   page: 37-42   2011

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  79. Alkali-metal adsorption and manipulation on hydroxylated TiO2(110) surface using atomic force microscopy Reviewed

    A. Yurtsever, Y. Sugimoto, M. Abe, K. Matsunaga, I. Tanaka, S. Morita

    Phys. Rev. B   Vol. 84   page: 085413(7 pages)   2011

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  80. Theoretical investigation on defect energetics in calcium phosphates under an aqueous solution environment

    K. Matsunaga, H. Murata

    AMTC Lett.   Vol. 2   page: 152   2010

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  81. Local environment study of dopants in hydroxyapatite using XANES and first-principles calculations

    H. Murata, K. Shitara, Y. Emi, K. Matsunaga, I. Tanaka, T. Mizoguchi, A. Nakahira

    AMTC Lett.   Vol. 2   page: 172   2010

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  82. Theoretical calculation of structure and stability of layered titanates as precursor of nanotubes

    M. Mori, Y. Kumagai, K. Matsunaga, I. Tanaka

    AMTC Lett.   Vol. 2   page: 188   2010

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  83. Theoretical defect energetics in calcium phosphate bioceramics

    K. Matsunaga

    J. Am. Ceram. Soc.   Vol. 93   page: 1   2010

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  84. First-principles simulation of Al-terminated S13 pyramidal twin grain boundary in a-Al2O3

    K. Nakamura, T. Mizoguchi, N. Shibata, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Philo. Mag. Lett.   Vol. 90   page: 159   2010

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  85. Mechanism of incorporation of zinc in hydoroxyapatite

    K. Matsunaga, H. Murata, T. Mizoguchi, A. Nakahira

    Acta Biomater.   Vol. 6   page: 2289   2010

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  86. Pourbaix diagrams of alkaline earth metal elements by combination of first principles calculations and thermochemical data

    T. Suzuki, M. Mori, K. Matsunaga, I. Tanaka

    J. Phys.: Condens. Matter   Vol. 22   page: 384206   2010

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  87. First-principles calculations of Zn-K XANES in Ca-deficient hydroxyapatite

    H. Murata, K. Shitara, I. Tanaka, A. Nakahira, T. Mizoguchi, K. Matsunaga

    J. Phys.: Condens. Matter   Vol. 22   page: 384213   2010

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  88. Theoretical calculations of thermodynamic stability of ionic substitutions in hydroxyapatite under aqueous solution environment

    K. Matsunaga, H. Murata, K. Shitara

    J. Phys.: Condens. Matter   Vol. 22   page: 384210   2010

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  89. リン酸カルシウムにおける活性機能元素の計算設計

    松永克志

    セラミックデータブック   Vol. 38   page: 79   2010

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  90. 転位構造制御によるサファイア中への導電性ナノ細線形成

    中村篤智、松永克志、山本剛久、幾原雄一

    まてりあ   Vol. 49   page: 310   2010

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  91. First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate

    M. Mori, Y. Kumagai, K. Matsunaga, I. Tanaka

    Phys. Rev. B   Vol. 79   page: 144117   2009

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  92. Sr substitution in bioactive calcium phosphates: A first-principles study

    K. Matsunaga, H. Murata

    J. Phys. Chem. B   Vol. 113   page: 3584   2009

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  93. Formation energies of substitutional sodium and potassium in hydroxyapatite

    K. Matsunaga, H. Murata

      Vol. 50   page: 1041   2009

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  94. Interface structures of gold nanoparticles on TiO2 (110)

    N. Shibata, A. Goto, K. Matsunaga, T. Mizoguchi, T. Yamamoto, Y. Ikuhara

    Phys. Rev. Lett.   Vol. 102   page: 136105   2009

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  95. 金属イオン添加リン酸カルシウムの合成と微細構造

    中平敦、松永克志

    マテリアルインテグレーション   Vol. 22   page: 65   2009

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  96. First principles calculations of advanced nitrides, oxides and alloys

    I. Tanaka, A. Kuwabara, K. Yuge, A. Seko, F. Oba, and K. Matsunaga

    Key Eng. Mater.   Vol. 403   page: 73   2009

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  97. 27Al NMR chemical shifts in oxide crystals : A first-principles study

    M. Choi, K. Matsunaga, F. Oba, I. Tanaka

    J. Phys. Chem. C   Vol. 113   page: 3869   2009

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  98. 第一原理熱力学によるナノ機能元素の理論計算

    田中功、世古敦人、弓削是貴、小山幸典、大場史康、松永克志

    まてりあ   Vol. 48   page: 299   2009

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  99. 第一原理計算に基づくセラミックスのナノ構造解析と設計指針:酸化スズを例に

    田中功、世古敦人、東後篤史、大場史康、松永克志

    セラミックス   Vol. 44   page: 679   2009

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  100. First-principles study of ion exchange with foreign cations in hydroxyapatite

    K. Matsunaga

    AMTC lett.   Vol. 1   page: 184   2008

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  101. STEM imaging of Au nanoparticles on TiO2 surface

    N. Shibata, A. Goto, K. Matsunaga, T. Mizoguchi, S.D. Findlay, T. Yamamoto, Y. Ikuhara

    AMTC lett.   Vol. 1   page: 14   2008

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  102. First principles calculation of CO and H2 adsorption on strained Pt surface

    A. Kuwabara, Y. Saitoh, Y. Koyama, F. Oba, K. Matsunaga, I. Tanaka

    Mater. Trans.   Vol. 49   page: 2484   2008

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  103. First-principles investigation of R2O3(ZnO)3 (R=Al, Ga, and In) in homologous series of compounds

    S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga, I. Tanaka

    J. Sol. Stat. Chem.   Vol. 181   page: 137   2008

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  104. Effects of crystal structure on Co-L2,3 x-ray absorption near edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides

    Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga, I. Tanaka

    Phys. Rev. B   Vol. 77   page: 155124   2008

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  105. Theoretical investigation of the defect formation mechanism relevant to nonstoichiometry in hydroxyapatite

    K. Matsunaga

    Phys. Rev. B   Vol. 77   page: 104106   2008

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  106. First-principles study of substitutional magnesium and zinc in hydroxyapatite and octacalcium phosphate

    K. Matsunaga

    J. Chem. Phys.   Vol. 128   page: 245101   2008

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  107. Isostructural phase transitions of tetragonal perovskite titanates under negative hydrostatic pressure

    H. Moriwake, Y. Koyama, K. Matsunaga, T. Hirayama, I. Tanaka

    J. Phys.: Condens. Matter   Vol. 20   page: 345207   2008

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  108. Lattice dynamics and thermodynamical properties of silicon nitride polymorphs

    A. Kuwabara, K. Matsunaga, I. Tanaka

    Phys. Rev. B   Vol. 78   page: 064104   2008

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  109. Theoretical trend of ion exchange ability with divalent cations in hydroxyapatite

    K. Matsunaga, H. Inamori, and H. Murata

    Phys. Rev. B   Vol. 78   page: 094101   2008

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  110. ELNESと理論計算を組み合わせた結晶界面の原子・電子構造解析

    溝口照康,佐藤幸生,松永克志,山本剛久,幾原雄一

    顕微鏡   Vol. 42   page: 122   2007

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  111. Theoretical tensile deformation of Σ13 pyramidal twin grain boundary in alumina

    K. Nakamura, T. Mizoguchi, N. Shibata, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Key. Eng. Mater.   Vol. 352   page: 21   2007

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  112. First-principles study of vacancy formation in hydroxyapatite

    K. Matsunaga, A. Kuwabara

    Phys. Rev. B   Vol. 75   page: 014102   2007

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  113. Effect of alloying elements on the interfacial bonding strength and electric conductivity of carbon nano-fiber reinforced Cu matrix composites

    S.B. Lee, K. Matsunaga, Y. Ikuhara, S.K. Lee

    Mater. Sci. Eng. A   Vol. 449-451   page: 778   2007

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  114. First-principles study of grain boundary sliding in a-Al2O3

    K. Nakamura, T. Mizoguchi, N. Shibata, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 75   page: 184109   2007

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  115. Structures and energetics of Ga2O3 polymorphs

    S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga, I. Tanaka

    J. Phys.: Condens. Matter   Vol. 19   page: 346211   2007

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  116. Yttrium doping effect on oxygen grain boundary diffusion in alpha-Al2O3

    T. Nakagawa, I. Sakaguchi, N. Shibata, K. Matsunaga, T. Mizoguchi, T. Yamamoto, H. Haneda, Y. Ikuhara

    Acta Mater.   Vol. 55   page: 6627   2007

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  117. Theoretical study of Lu segregation in S13 Al2O3 grain boundary

    K. Nakamura, N. Shibata, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Trans. Mater. Res. Soc. Jpn   Vol. 31   page: 207   2006

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  118. 金属/セラミックス界面 : 第一原理計算を用いたELNESおよび化学結合の解析

    7. 溝口照康、幾原雄一、佐々木健夫、田中真悟、香山正憲、松永克志,山本剛久

    まてりあ   Vol. 45   page: 871   2006

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  119. Oxygen diffusion along symmetric [0001] tilt grain boundaries in alpha-alumina

    T. Nakagawa, I. Sakaguchi, K. Matsunaga, T. Yamamoto, H. Haneda, Y. Ikuhara

    Key Eng. Mater.   Vol. 317-318   page: 415   2006

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  120. First-principles study on incidence direction, individual site character and atomic projection dependences of ELNES for perovskite compounds

    T. Mizoguchi, J.P. Buban, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Ultramicroscopy   Vol. 106   page: 92   2006

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  121. Grain boundary strengthening in alumina by rare earth impurities

    J.P. Buban, K. Matsunaga, J. Chen, N. Shibata, W.Y. Ching, T. Yamamoto, Y. Ikuhara

    Science   Vol. 311   page: 212   2006

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  122. Multiple dissociation of grain boundary dislocations in alumina ceramics

    A. Nakamura, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Phil. Mag.   Vol. 86   page: 4657   2006

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  123. Bonding nature of metal/oxide incoherent interfaces by first-principles calculations

    K. Matsunaga, T. Sasaki, T. Mizoguchi, N. Shibata, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 74   page: 125423   2006

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  124. Chemical bonding, interface strength and oxygen K electron energy loss near edge structure of Cu/Al2O3 interface

    T. Mozuguchi, T. Sasaki, S. Tanaka, K. Matsunaga, T. Yamamoto, M. Kohyama, Y. Ikuhara

    Phys. Rev. B   Vol. 74   page: 235408   2006

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  125. セラミックス破壊の微視的観察と原子論的メカニズム

    松永克志、井誠一郎、岩本知広、山本剛久、幾原雄一

    まてりあ   Vol. 44   page: 302   2005

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  126. ナノ構造デザイン、セラミックス固溶体(アルミナ)

    松永克志

    ナノマテリアル工学大系 第一巻ニューセラミックス・ガラス     page: 680   2005

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  127. Control of point defects and grain boundaries in advanced materials Optical properties and diffusion induced by Li doping in ZnO

    T. Nakagawa, I. Sakaguchi, K. Matsunaga, T. Yamamoto, H. Haneda, Y. Ikuhara

    Nucl. Instr. And Meth. In Phys. Res. B   Vol. 232   page: 343   2005

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  128. Sr vacancy segregation by heat treatment at SrTiO3 grain boundary

    T. Mizoguchi, Y. Sato, J.P. Buban, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Appl. Phys. Lett.   Vol. 87   page: 241920   2005

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  129. 電子エネルギー損失スペクトルを用いたCu/Al2O3(0001)界面の局所化学結合状態解析

    佐々木健夫, 溝口照康、松永克志、田中真悟、山本剛久、香山正憲、幾原雄一

    日本金属学会誌   Vol. 69   page: 86   2005

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  130. 傾角66°の[001]対称傾角粒界を有するルチル型TiO2双結晶の粒界原子構造

    大野高裕、井誠一郎、柴田直哉、松永克志、幾原雄一、山本剛久

    日本金属学会誌   Vol. 69   page: 1004   2005

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  131. TEM in situ observation of fracture behavior in ceramic materials

    S. Ii, C. Iwamoto, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Appl. Surf. Sci.   Vol. 241   page: 68   2005

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  132. HRTEM and EELS characterization of atomic and electronic structures in Cu/a-Al2O3 interfaces

    T. Sasaki, T. Mizoguchi, K. Matsunaga, S. Tanaka, T. Yamamoto, M. Kohyama, Y. Ikuhara

    Appl. Surf. Sci.   Vol. 241   page: 87   2005

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  133. HRTEM study on grain boundary atomic structures related to the sliding behavior in alumina bicrystals

    K. Matsunaga, H. Nishimura, S. Hanyu, H. Muto, T. Yamamoto, Y. Ikuhara

    Appl. Surf. Sci.   Vol. 241   page: 75   2005

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  134. Fabrication of Ti nanowires in sapphire single crystal

    A. Nakamura, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Appl. Surf. Sci.   Vol. 241   page: 38   2005

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  135. Direct evidence of dopant-enhanced grain-boundary sliding in yttria-stabilized zirconia bicrystals

    A. Nakamura, N. Shibata, N. Morishige, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    J. Am. Ceram. Soc.   Vol. 88   page: 938   2005

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  136. Oxygen diffusion blocking of single grain boundary in yttria-doped zirconia bicrystals

    T. Nakagawa, I. Sakaguchi, N. Shibata, K. Matsunaga, T. Yamamoto, H. Haneda, Y. Ikuhara

    J. Mater. Sci.   Vol. 40   page: 3185   2005

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  137. Stress-induced facet coarsening in a S7{4510} symmetrical tilt grain boundary in an alumina bicrystal

    S. Hanyu, H. Nishimura, K. Matsunaga, T. Yamamoto, Y. Ikuhara, A.M. Glaeser

    J. Mater. Sci.   Vol. 40   page: 3137   2005

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  138. Numerical analysis of solute segregation at S5 (310)/[001] symmetric tilt grain boundary in Y2O3-doped ZrO2

    T. Oyama, M. Yoshiya, H. Matsubara, K. Matsunaga

    Phys. Rev. B   Vol. 71   page: 224105   2005

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  139. Chemical bonding states at copper/graphite interfaces with additional elements

    K. Matsunaga, Y. Ikuhara, Y.C. Jung, S.S. Kim, S.K. Lee

    J. Ceram. Soc. Jpn   Vol. 113   page: 530   2005

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  140. Localized strain and atomic structures of symmetric tilt grain boundaries in Al2O3 bicrystals

    T. Saito, T. Hirayama, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    J. Ceram. Soc. Jpn   Vol. 113   page: 605   2005

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  141. 転位配列制御によるナノ細線設計

    幾原雄一, 中村篤智, 松永克志, 山本剛久

    応用物理   Vol. 73   page: 1087   2004

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  142. TEM in-situ straining experiments on crack propagation in brittle ceramics

    K. Matsunaga, S. Ii, C. Iwamoto, T. Yamamoto, Y. Ikuhara

    Proc. of 8th Asia-Pacific Conference on Electron microscopy     page: 681   2004

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  143. Perturbated molecular dynamics for calculating thermal conductivity of zirconia

    M. Yoshiya, A. Harada, M. Takeuchi, K. Matsunaga, H. Matsubara

    Molecular Simulations   Vol. 30   page: 953   2004

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  144. Atomic and electronic structures of Cu/sapphire interfaces by HRTEM and EELS analyses

    T. Sasaki, T. Mizoguchi, K. Matsunaga, S. Tanaka, T. Yamamoto, M. Kohyama, Y. Ikuhara

    Mater. Sci. Forum   Vol. 475-479   page: 3859   2004

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  145. In-situ observation of crack propagation in magnesium oxide ceramics

    K. Matsunaga, S. Ii, C. Iwamoto, T. Yamamoto, Y. Ikuhara

    Nanotechnology   Vol. 15   page: S376   2004

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  146. In situ HRTEM observations of the formation of reaction phases from liquid Ag-Cu-Ti alloy and SiC, Si and C substrates

    C. Iwamoto, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Nanotechnology   Vol. 15   page: S398   2004

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  147. Identification of crack path of inter- and transgranular fracture in sintered silicon nitride by in situ TEM

    S. Ii, C. Iwamoto, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    J. Electron Microscopy   Vol. 53   page: 121   2004

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  148. Formation of titanium-solute clusters in alumina: A first-principles study

    K. Matsunaga, T. Mizoguchi, A. Nakamura, T. Yamamoto, Y. Ikuhara

    Appl. Phys. Lett.   Vol. 84   page: 4795   2004

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  149. Direct observation of intergranular crack surface in sintered silicon nitride

    S. Ii, C. Iwamoto, K. Matsunaga, T. Yamamoto, Y. Ikuhara, M. Yoshiya, P.F. Becker

    Philos. Mag.   Vol. 84   page: 2767   2004

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  150. High resolution microscopy study for [001] symmetric tilt boundary with a tilt angle of 66° in rutile-type TiO2 bicrystal

    T. Ohno, S. Ii, N. Shibata, K. Matsunaga, Y. Ikuhara, T. Yamamoto

    Mater. Trans.   Vol. 45   page: 2117   2004

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  151. Non-linear current-voltage property across Σ5(210) symmetric tilt boundary in Nb-doped SrTiO3 bicrystal

    M. Nishi, T. Tanaka, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Mater. Trans.   Vol. 45   page: 2112   2004

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  152. Atomic and electronic structures of Ni/YSZ(111) interface

    T. Sasaki, K. Matsunaga, H. Ohta, H. Hosono, T. Yamamoto, Y. Ikuhara

    Mater. Trans.   Vol. 45   page: 2137   2004

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  153. High temperature compression tests of alumina bicrystals

    S. Hanyu, H. Nishimura, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Mater. Trans.   Vol. 45   page: 2122   2004

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  154. Effects of dislocations on the oxygen ionic conduction in yttria-stabilized zirconia

    K. Otsuka, K. Matsunaga, A. Nakamura, S. Ii, A. Kuwabara, T. Yamamoto, Y. Ikuhara

    Mater. Trans.   Vol. 45   page: 2042   2004

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  155. First-principles characterization of atomic structure of Al2O3(0001)/Cu nano-hetero interface

    S. Tanaka, R. Yang, M. Kohyama, T. Sasaki, K. Matsunaga, Y. Ikuhara

    Mater. Trans.   Vol. 45   page: 1973   2004

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  156. Theoretical study of defect structures in pure and titanium-doped alumina

    K. Matsunaga, A. Nakamura, T. Yamamoto, Y. Ikuhara

    Solid State Ionics   Vol. 172   page: 155   2004

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  157. Valence state of Ti in conductive nanowires in sapphire

    T. Mizoguchi, M. Sakurai, A. Nakamura, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 70   page: 153101   2004

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  158. Configuration control of dislocations in sapphire

    A. Nakamura, K. P. D. Lagerlöf, K. Matsunaga, J. Tohma, T. Yamamoto, Y. Ikuhara

    Acta Mater.   Vol. 53   page: 455   2004

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  159. Theoretical and experimental Ti-K NEXAFS of various Ti-oxides

    T. Mizoguchi, M. Sakurai, A. Nakamura, T. Sasaki, Y. Sato, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Mater. Sci. Forum   Vol. 475-479   page: 3119   2004

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  160. First-principles calculations of titanium dopants in alumina

    K. Matsunaga, T. Mizoguchi, A. Nakamura, T. Yamamoto, Y. Ikuhara

    Mater. Sci. Forum   Vol. 475-479   page: 3095   2004

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  161. Grain boundary characters and sliding of [0001] symmetric tilt boundaries in alumina

    K. Matsunaga, H. Nishimura, H. Muto, T. Yamamoto, Y. Ikuhara

    Mat. Res. Soc. Symp. Proc.   Vol. 778   page: 85   2003

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  162. Dopant effect on the high-temperature grain boundary sliding in alumina

    H. Yoshida, K. Matsunaga, T. Yamamoto, Y. Ikuhara, T. Sakuma

    Mater. Sci. Forum   Vol. 447-448   page: 299   2003

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  163. アルミナ双結晶の粒界構造と高温変形挙動

    西村仁志、松永克志、斎藤智浩、武藤浩行、山本剛久、幾原雄一

    日本セラミックス協会学術論文誌   Vol. 111   page: 688   2003

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  164. HRTEMによるCu/a-Al2O3(0001)界面の原子構造解析

    佐々木健夫、松永克志、太田裕道、細野秀雄、山本剛久、幾原雄一

    材料   Vol. 52   page: 555   2003

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  165. Dislocation-enhanced ionic conductivity of yttria-stabilized zirconia

    K. Otsuka, A. Nakamura, A. Kuwabara, T. Yamamoto, K. Matsunaga, Y. Ikuhara

    Appl. Phys. Lett.   Vol. 82   page: 877   2003

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  166. Direct measurements of grain boundary sliding in yttrium-doped alumina bicrystals

    K. Matsunaga, H. Nishimura, H. Muto, T. Yamamoto, Y. Ikuhara

    Appl. Phys. Lett.   Vol. 82   page: 1179   2003

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  167. Dislocation structures of small angle and near S3 grain boundaries in alumina bicrystals

    Y. Ikuhara, H. Nishimura, A. Nakamura, K. Matsunaga, T. Yamamoto, K.P.D. Lagerlöf

    J. Am. Ceram. Soc.   Vol. 86   page: 595   2003

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  168. Atomic structure and energy of S7 symmetrical tilt grain boundaries in alumina bicrystal

    H. Nishimura, K. Matsunaga, T. Saito, T. Yamamoto, Y. Ikuhara

    J. Am. Ceram. Soc.   Vol. 86   page: 574   2003

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  169. Conductive nanowires in insulating ceramics

    A. Nakamura, K. Matsunaga, J. Tohma, T. Yamamoto, Y. Ikuhara

    Nature Materials   Vol. 2   page: 453   2003

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  170. First-principles calculations of intrinsic defects in Al2O3

    K. Matsunaga, T. Tanaka, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 68   page: 085110   2003

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  171. High-resolution transmission-electron microscopy and computational analyses on atomic structures of [0001] symmetric tilt grain boundaries of Al2O3 with equivalent grain boundary planes

    K. Matsunaga, H. Nishimura, T. Saito, T. Yamamoto, Y. Ikuhara

    Philos. Mag.   Vol. 83   page: 4071   2003

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  172. First-principles study of structures and energies of intrinsic vacancies in SrTiO3

    T. Tanaka, K. Matsunaga, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 68   page: 214102   2003

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  173. First-principles study of defect energetics in titanium-doped alumina

    K. Matsunaga, A. Nakamura, T. Yamamoto, Y. Ikuhara

    Phys. Rev. B   Vol. 68   page: 214102   2003

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  174. Atomic and electric structures of Cu/alpha-Al2O3 interfaces prepared by pulsed-laser deposition

    T. Sasaki, K. Matsunaga, H. Ohta, H. Hosono, T. Yamamoto, Y. Ikuhara

    Sci. Tech. Adv. Mater.   Vol. 4   page: 575   2003

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  175. Distribution and structures of nanopores in YSZ-TBC deposited by EB-PVD

    Y.C. Jung, T. Sasaki, T. Tomimatsu, K. Matsunaga, T. Yamamoto, Y. Kagawa, Y. Ikuhara

    Sci. Tech. Adv. Mater.   Vol. 4   page: 571   2003

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  176. Grain boundary characters and structures in oxide ceramics

    Y. Ikuhara, K. Matsunaga, T. Yamamoto, T. Sakuma

    Key Eng. Mater.   Vol. 247   page: 335   2003

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  177. HRTEM and Orientation Relationship of Cu/Al2O3 Interface

    T. Sasaki, K. Matsunaga, T. Yamamoto, H. Ohta, H. Hosono, Y. Ikuhara

    Proc. of the International Conference on Designing of Interfacial Structures in Advanced Materials and their Joints     page: 237   2002

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  178. Atomic structure and diffusion in amorphous Si-B-C-N by molecular dynamics simulation

    K. Matsunaga, Y. Iwamoto, Y. Ikuhara

    Mater. Trans.   Vol. 43   page: 1506   2002

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  179. Molecular dynamics study of atomic structure and diffusion behavior in amorphous silicon nitride containing boron

    K. Matsunaga, Y. Iwamoto

    J. Am. Ceram. Soc.   Vol. 84   page: 2213   2001

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  180. Crystallization behavior of amorphous Si-C-N ceramics derived from organometallic precurors

    Y. Iwamoto, W. Volger, E. Kroke, R. Riedel, T. Saito, K. Matsunaga

    J. Am. Ceram. Soc.   Vol. 84   page: 2170   2001

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  181. 非晶質構造の原子配列と結合状態

    松永克志

    シナジーセラミックス—機能共生の指針と材料創製—     page: 236   2000

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  182. Computational modeling of ceramic microstructure by MC and MD methods

    H. Matsubara, H. Nomura, A. Honda, K. Matsunaga

    Ceramic Trans.   Vol. 118   page: 97   2000

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  183. Atomistic computer simulations of amorphous silicon nitride based ceramics

    K. Matsunaga, H. Matsubara

    Ceramic Trans.   Vol. 118   page: 57   2000

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  184. Valence band structure of ZnO (1010) surface by cluster calculation

    K. Matsunaga, F. Oba, I. Tanaka, H. Adachi

    J. Electroceramics   Vol. 4   page: 69   2000

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  185. アルミナ系セラミックスの粒界ガラス相の分子動力学計算

    本多淳史、松永克志、松原秀彰

    日本金属学会誌   Vol. 64   page: 1113   2000

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  186. Molecular orbital calculations of chemical bonding states of solute elements in amorphous silicon nitride ceramics

    K. Matsunaga, Y. Iwamoto, H. Matsubara

    J. Mater. Res.   Vol. 15   page: 429   2000

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  187. Tersoff potential parameters for simulating cubic boron carbonitrides

    K. Matsunaga, C. Fisher, H. Matsubara

    Jpn. J. Appl. Phys.   Vol. 39   page: L48   2000

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  188. Molecular orbital calculations on atomic structures of Si-based covalent amorphous ceramics

    K. Matsunaga, H. Matsubara

    Mater. Res. Soc. Proc.   Vol. 538   page: 567   1999

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  189. Molecular dynamics study of atomic structures in amorphous Si-C-N ceramics

    K. Matsunaga, Y. Iwamoto, C. Fisher, H. Matsubara

    J. Ceram. Soc. Jpn   Vol. 107   page: 1025   1999

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  190. Molecular orbital calculations on atomic structure and chemical bonding state in Si-N-C amorphous ceramics

    K. Matsunaga, H. Matsubara, H. Yanagida

    Proc. of 5th International Conference on Inorganic Membrane     page: 660   1998

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  191. Synthesis of polymer-derived Si-N-C membranes for gas permeability

    K. Matsunaga, H. Matsubara, S. Aoki, H. Nomura, H. Yanagida

    Proc. of 5th International Conference on Inorganic Membrane     page: 664   1998

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  192. Electronic mechanism of Ag-cluster formation in AgBr and AgI

    K. Matsunaga, I. Tanaka, H. Adachi

    J. Phys. Soc. Jpn   Vol. 67   page: 2027   1998

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  193. DV-Xa法による酸化物のクラスター計算

    田中功, 松永克志, 水野正隆, 大場史康, 足立裕彦

    ニューセラミックス   Vol. 10   page: 17   1997

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  194. Electronic states and chemical bondings of an interstitial cation in ionic compounds NaCl and AgCl

    K. Matsunaga, I. Tanaka, H. Adachi

    J. Phys. Soc. Jpn   Vol. 65   page: 3582   1996

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  195. Electronic states of F-centers in alkali halide crystals

    K. Matsunaga, N. Narita, I. Tanaka, H. Adachi

    J. Phys. Soc. Jpn   Vol. 65   page: 2564   1996

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  196. Effects of low energy dislocation structures on crack tip shielding in ionic crystals

    K. Higashida, N. Narita, K. Matsunaga, R. Onodera

    Phys. Stat. Sol.(a)   Vol. 149   page: 429   1995

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  197. Interaction of a crack with crystal defects and their effect on crack extension

    N. Narita, K. Matsunaga, K. Higashida, H. Adachi

    Proc. of 10th International Conference on the Strength of Materials     page: 403   1994

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  198. Crack tip shielding/antishielding by dislocations in ionic crystals

    K. Higashida, M. Kamura, S. Minato, K. Matsunaga, N. Narita, R. Onodera

    Proc. of 10th International Conference on the Strength of Materials     page: 407   1994

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  199. Effect of dislocation activity on crack extension in ionic crystals

    K. Higashida, N. Narita, K. Matsunaga

    Mater. Sci. Eng. A   Vol. 176   page: 147   1994

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▼display all

Books 5

  1. 材料電子論入門―第一原理計算の材料科学への応用

    田中 功, 松永 克志, 大場 史康, 世古 敦人( Role: Joint author)

    2017.10 

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    Language:Japanese

  2. 外部場に伴う無機半導体材料の室温塑性変形挙動の変化

    中村篤智、大島優、松永克志( Role: Joint author)

    顕微鏡  2021.12 

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    Language:Japanese

  3. 無機半導体中の転位挙動に及ぼす光環境効果の理解に向けたナノスケール力学試験手法の開拓

    中村 篤智、方 旭飛、 松原 彩華、大島 優、松永 克志( Role: Joint author)

    粉体粉末冶金協会協会誌  2021.11 

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    Total pages:7   Language:Japanese

  4. 暗闇における無機半導体の異常な室温可塑性と変形に伴う物性変化

    中村篤智、大島優、松永克志( Role: Joint author)

    応用物理  2021.3 

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    Language:Japanese

  5. 無機半導体材料の力学特性に及ぼす光環境効果のマルチスケール計測

    中村篤智、大島優、松永克志( Role: Joint author)

    まてりあ  2021.1 

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    Language:Japanese

Presentations 87

  1. Electronic and atomic structures of crystal defect cores determining peculiar materials properties Invited

    Katsuyuki Matsunaga

    14th Pacific Rim Conference on Ceramic and Glass Technology (PACRIM 14) 

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    Event date: 2021.12

    Presentation type:Oral presentation (invited, special)  

  2. 計算と実験の融合によるセラミックス結晶欠陥のナノ構造と特性の解析 Invited

    松永克志

    2021年電気化学会 東海支部・東北支部 合同シンポジウム 

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    Event date: 2021.11

    Presentation type:Oral presentation (keynote)  

  3. 電子論計算に基づいたリン酸カルシウムのナノ構造と機能 Invited

    松永克志

    2021年度東北大学金属材料研究所共同研究ワークショップ・日本バイオマテリアル学会東北ブロック講演会 

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    Event date: 2021.9

    Presentation type:Oral presentation (keynote)  

  4. 材料機能コアのナノ構造と特性 Invited

    松永克志

    日本金属学会 2021年秋期(第169回)講演大会 

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    Event date: 2021.9

    Presentation type:Oral presentation (keynote)  

  5. 計算科学と実験の融合による新しいセラミックス結晶欠陥科学とその応用 Invited

    松永克志

    日本セラミックス協会 第34回秋季シンポジウム 

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    Event date: 2021.9

    Presentation type:Oral presentation (keynote)  

  6. ZnSの転位ナノ構造と光照射硬化 Invited

    松永克志

    2021年春期(第168回)講演大会  2021.3.17  日本金属学会

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    Event date: 2021.3

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Venue:オンライン  

  7. 化合物半導体の粒界構造解析に向けた機械学習型原子間ポテンシャル開発

    足立康輔, 横井達矢, 中村篤智, 松永克志

    日本セラミックス協会 2021年年会  2021.3.25  日本セラミックス協会

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    Event date: 2021.3

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  8. The effect of light on the nanoindentation behavior of cubic zinc sulfide International conference

    A. Nakamura, X. Fang, A. Matsubara, E. Tochigi, Y. Oshima, T. Saito, T. Yokoi, Y. Ikuhara, K. Matsunaga

    Electronic Materials and Applications 2021 (EMA2021)   2021.1 

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    Event date: 2021.1

    Language:English   Presentation type:Oral presentation (general)  

  9. The effect of light illumination on the room-temperature creep behavior of cubic zinc sulfide single crystals International conference

    Y. Oshima, A. Nakamura, T. Yokoi, K. Matsunaga

    Electronic Materials and Applications 2021 (EMA2021)   2021.1 

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    Event date: 2021.1

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Online  

  10. 酸化物/金属界面の電子・原子レベル構造の理論解析 Invited

    松永克志

    京都大学 オープンイノベーション機構 プロトニックセラミックス産学共同講座 Web討論会  2020.12.17  京都大学 オープンイノベーション機構

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    Event date: 2020.12

    Language:Japanese   Presentation type:Public lecture, seminar, tutorial, course, or other speech  

    Venue:オンライン  

  11. 人工ニューラルネットワークによるセラミックス粒界の原子・電子構造の予測

    横井達矢, 中村篤智, 松永克志

    第14回物性科学領域横断研究会 若手発表会  2020.12  物性科学領域横断研究会

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    Event date: 2020.12

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  12. Theoretical Calculation of Formation Energies and Site Preference of Substitutional Divalent Cations in Carbonated Apatite International conference

    T. Saito, A. Nakamura, T. Yokoi, K. Matsunaga

    The Materials Science & Technology 2020 (MS&T20)   2020.11  American Ceramics Society

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    Event date: 2020.11

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Online  

  13. 機能コアに基づく材料科学の確立に向けて

    松永克志

    日本金属学会 2020年秋期(第167回)講演大会  2020.9  日本金属学会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  14. 化合物半導体における30°部分転位のコア構造再構成に関する第一原理計算

    星野聖奈, 大島優, 中村篤智, 横井達矢, 松永克志

    日本金属学会 2020年秋期(第167回)講演大会  2020.9  日本金属学会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  15. ハイドロキシアパタイトの表面電位と原子構造に関する理論的研究

    齋藤達志, 横井達矢, 中村篤智, 松永克志

    日本金属学会 2020年秋期(第167回)講演大会  2020.9  日本金属学会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  16. 粒界過剰エントロピーに及ぼす粒界コアの影響

    井川慶也, 横井達矢, 中村篤智, 松永克志

    日本セラミックス協会 第33回秋季シンポジウム  2020.9  日本セラミックス協会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  17. 希薄ドーパントの界面偏析により高強度化したセラミックス複合材料

    西智広, 松永克志, 光岡健, 沖村康之, 勝祐介

    日本セラミックス協会 第33回秋季シンポジウム  2020.9  日本セラミックス協会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  18. 光環境制御下におけるZnS単結晶の室温クリープ変形挙動

    大島優, 中村篤智, 横井達矢, 松永克志

    日本セラミックス協会 第33回秋季シンポジウム  2020.9  日本セラミックス協会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  19. 人工ニューラルネットワークによるAl2O3粒界の原子・電子構造の予測

    横井達矢, 中村篤智, 松永克志

    日本金属学会 2020年秋期(第167回)講演大会  2020.9  日本金属学会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  20. 硫化亜鉛結晶の室温クリープ挙動に及ぼす光照射の影響

    中村篤智, 大島優, 横井達矢, 松永克志

    日本金属学会 2020年秋期(第167回)講演大会  2020.9  日本金属学会

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    Event date: 2020.9

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  21. II-VI族化合物半導体における転位コア構造の再構成

    星野聖奈, 横井達矢, 中村篤智, 松永克志

    新学術領域研究「機能コアの材料科学」第1回 若手コラボツアー  2020.8  新学術領域研究「機能コアの材料科学」

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    Event date: 2020.8

    Presentation type:Oral presentation (general)  

    Venue:オンライン  

  22. Electronic and Atomic Structures of Interfacial Defect Cores in Structural Ceramics Invited International conference

    K. Matsunaga

    The 13th Pacific Rim Conference of Ceramic Societies (PACRIM13) 

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    Event date: 2019.10

    Language:English   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  23. Dislocations in Inorganic Crystals as Ceramic Genome Invited International conference

    K. Matsunaga

    The 13th Pacific Rim Conference of Ceramic Societies (PACRIM13) 

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    Event date: 2019.10

    Language:English   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  24. 無機化合物結晶における転位のナノ構造と機能 Invited

    松永克志

    2019年度第1回界面ナノ科学研究会 

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    Event date: 2019.10

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  25. 機能コアの材料科学-ナノ材料科学の新展開 Invited

    松永克志

    日本金属学会2019年秋期講演大会 

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    Event date: 2019.9

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  26. Electronic Structures at Dislocation Cores in Zinc Sulfide Showing Extraordinary Plastic Deformation Invited International conference

    K. Matsunaga

    The 2nd Global Forum on Advanced Materials and Technologies for Sustainable Development (GFMAT-2) 

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    Event date: 2019.7

    Language:English   Presentation type:Oral presentation (keynote)  

    Country:Canada  

  27. Electronic and Atomic Structures of Dislocations in an Inorganic Semiconductor Showing Unexpected Large Plasticity at Room Temperature Invited International conference

    K. Matsunaga

    The 6th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC6) 

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    Event date: 2019.6

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  28. Electronic and atomic structures of dislocations and their related mechanical properties in II-VI group semiconducting materials Invited International conference

    K. Matsunaga

    The International Conference on High-Performance Ceramics (CICC-11) 

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    Event date: 2019.5

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:China  

  29. Electronic Mechanism of Room-Temperature Large Plasticity of Inorganic Compounds Invited International conference

    K. Matsunaga

    The 43rd International Conference & Exposition on advanced ceramics and composites 

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    Event date: 2019.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:Daytona Beach, Florida, USA   Country:United States  

  30. アパタイト型酸化物における酸素イオン伝導機構の理論解析 Invited

    松永克志

    日本セラミックス協会第57回セラミックス基礎科学討論会 

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    Event date: 2019.1

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  31. 暗室環境下における硫化亜鉛結晶の大塑性変形能と転位構造 Invited

    松永克志、大島優、中村篤智

    日本顕微鏡学会第61回シンポジウム 

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    Event date: 2018.11

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  32. イオン性無機結晶の転位量子構造と塑性 Invited

    松永克志

    日本金属学会2018年秋期講演大会 

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    Event date: 2018.9

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  33. Electronic and Atomic Structures of Dislocation Cores in Ductile Ionic Crystals International conference

    K. Matsunaga

    ICSMA18 

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    Event date: 2018.7

    Language:English   Presentation type:Oral presentation (general)  

    Country:United States  

  34. Effect of Point defects on Interfacial Bonding between Noble Metal and TiO2 (110) surface International conference

    K. Matsunaga

    14th International Ceramics Congress(CIMTEC) 

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    Event date: 2018.6

    Language:English   Presentation type:Oral presentation (general)  

    Country:Italy  

  35. Electronic origin on slip deformation ability in ductile ionic crystals Invited International conference

    K. Matsunaga

    The 42nd International Conference & Exposition on advanced ceramics and composites 

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    Event date: 2018.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:United States  

  36. セラミックスのナノ構造と特性に関する理論解析 Invited

    松永克志

    日本セラミックス協会東海支部学術研究発表会 特別講演 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  37. セラミックスのナノ構造と特性に関する理論解析 Invited International conference

    松永克志

    日本セラミックス協会関西支部第20回若手フォーラム 特別講演 

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    Event date: 2017.10

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  38. 貴金属/TiO2界面における結合状態と点欠陥形成 Invited International conference

    松永克志

    日本金属学会2017年秋期講演大会 

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    Event date: 2017.9

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  39. Atomic structures and chemical bonding states across slip planes in ionic crystals Invited International conference

    K. Matsunaga

    The 12th international meeting of pacific rim ceramic societies 

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    Event date: 2017.5

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:United States  

  40. 生体材料リン酸カルシウムの計算材料設計 Invited

    松永克志

    日本セラミックス協会生体材料部会 部会特別講演 

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    Event date: 2017.3

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  41. セラミックスのナノ構造と特性に関する理論解析 Invited

    松永克志

    日本セラミックス協会2017年年会 学術賞受賞講演 

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    Event date: 2017.3

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  42. Theoretical Investigations on Atomic Structures and Bonding during Plastic Deformation in Ionic Crystals Invited International conference

    K. Matsunaga

    The 41th International Conference & Exposition on advanced ceramics and composites(ICACC) 

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    Event date: 2017.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:United States  

  43. セラミックス系材料の塑性変形・破壊のナノ構造計算解析 Invited

    松永克志

    日本金属学会2015年秋期講演大会 

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    Event date: 2015.9

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  44. Theoretical investigation on atomic structures and bonding of noble metal atoms on TiO2(110) surface Invited International conference

    The 11th international meeting of pacific rim ceramic societies 

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    Event date: 2015.9

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Korea, Republic of  

  45. Formation of peculiar chemical bonds across slip planes in ductile ionic crystals International conference

    K. Matsunaga, N. Shimoda, K. Toyoura, and A. Nakamura

    17th international conference on the strength of materials (ICSMA17) 

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    Event date: 2015.8

    Language:English   Presentation type:Oral presentation (general)  

    Country:Czech Republic  

  46. Theoretical investigations on atomic-scale conduction mechanism of interstitial oxygen ions in apatite-type fast ionic conductors Invited International conference

    K. Matsunaga

    The 11th international conference on ceramic materials and components for energy and environmental applications(11CMCEE) 

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    Event date: 2015.6

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Canada  

  47. 電子状態計算による岩塩型イオン結晶のすべり変形機構の解明

    松永克志、霜田直史、豊浦和明、中村篤智

    日本金属学会2015年春期講演大会 

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    Event date: 2015.3

    Language:Japanese   Presentation type:Oral presentation (general)  

    Country:Japan  

  48. DFT計算から見たアパタイト型イオン伝導体のイオン伝導機構の現状と問題点 Invited

    松永克志、豊浦和明、今泉孝太、中村篤智

    日本セラミックス協会2015年年会サテライトプログラム 

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    Event date: 2015.3

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  49. Atomic structure and bonding of metal atoms adsorbed on titania surfaces Invited International conference

    K. Matsunaga

    The 39th International Conference & Exposition on advanced ceramics and composites 

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    Event date: 2015.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:United States  

  50. 第一原理計算に基づいたバイオセラミックスの点欠陥熱力学 Invited

    松永克志、久保田知典、豊浦和明、中村篤智

    日本セラミックス協会 

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    Event date: 2013.9

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  51. Theoretical defect energetics of carbonate ions in hydroxyapatite International conference

    K. Matsunaga, T. Kubota, K. Toyoura, and A. Nakamura

    The 10th international meeting of pacific rim ceramic societies 

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    Event date: 2013.6

    Language:English   Presentation type:Oral presentation (general)  

    Country:United States  

  52. Theoretical investigation on interfacial structure and bonding of metal atoms supported on oxide surfaces Invited International conference

    K. Matsunaga

    The 10th international meeting of pacific rim ceramic societies 

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    Event date: 2013.6

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:United States  

  53. 第一原理計算入門と材料科学研究への適用 Invited

    松永克志

    R&D支援センターセミナー 

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    Event date: 2012.12

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  54. Novel oxide-ion conduction mechanism via tetrahedral moieties in apatite-type fast ionic conductors International conference

    K. Matsunaga, K. Imaizumi, and K. Toyoura

    2012 MRS Fall Meeting 

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    Event date: 2012.11

    Language:English   Presentation type:Oral presentation (general)  

    Country:United States  

  55. Theoretical study of defects in hydroxyapatite bioceramics Invited International conference

    K. Matsunaga, T. Kubota, K. Toyoura, and A. Nakamura

    The 5th International Symposium on Designing, Processing and Properties of Advanced Engineering Materials 

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    Event date: 2012.11

    Language:English   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  56. 第一原理計算入門~わかることと調べ方、材料・デバイス開発者が押さえておきたいこと~ Invited

    松永克志

    情報機構セミナー 

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    Event date: 2012.7

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:東京   Country:Japan  

  57. First-principles study of defect formation in functional ceramics under an aqueous solution environment Invited International conference

    K. Matsunaga

    The 9th international meeting of pacific rim ceramic societies 

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    Event date: 2011.7

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Australia  

  58. Theoretical investigation on defect energetics in calcium phosphates under an aqueous solution environment Invited International conference

    K. Matsunaga, H. Murata

    The 2nd international symposium on advanced microscopy and theoretical calculations (AMTC2) 

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    Event date: 2010.6

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  59. Computational modeling and design of point defects in bioactive calcium phosphates Invited International conference

    K. Matsunaga

    CIMTEC 

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    Event date: 2010.6

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  60. 機能性セラミックス中のナノ構造安定性に対する水溶液環境効果 Invited

    松永克志

    第3回ナノ構造研究所講演会 

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    Event date: 2010.2

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:名古屋   Country:Japan  

  61. Theoretical modeling of point defects in calcium phosphates from first principles Invited International conference

    K. Matsunaga

    The 34th International Conference & Exposition on advanced ceramics and composites 

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    Event date: 2010.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  62. Point defect thermodynamics in calcium phosphate bioceramics Invited International conference

    K. Matsunaga

    The 11th International Symposium on Eco-materials Processing and Design (ISEPD2010) 

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    Event date: 2010.1

    Language:English   Presentation type:Oral presentation (keynote)  

    Country:Japan  

  63. Theoretical defect energetics in bioactive calcium phosphates Invited International conference

    K. Matsunaga

    The 3rd Theory Meets Industry International Workshop (TMI2009) 

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    Event date: 2009.11

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  64. Computational modeling of ionic substitutions in bioactive calcium phosphates Invited International conference

    K. Matsunaga

    Materials Science & Technology 2009 

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    Event date: 2009.10

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  65. 機能元素のナノ構造安定性に及ぼす水溶液pH効果 Invited

    松永克志

    日本セラミックス協会2009秋期シンポジウム 

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    Event date: 2009.9

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:愛媛   Country:Japan  

  66. 結晶界面の量子構造と特性の予測 Invited

    松永克志

    第一回NEDO光集積ラボラトリー公開セミナー 

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    Event date: 2009.2

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:京都   Country:Japan  

  67. Energetics of vacancies and protons in hydroxyapatite from first principles International conference

    K. Matsunaga

    MRS fall Meeting 

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    Event date: 2008.12

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  68. 酸化物セラミックスの格子欠陥の構造・安定性に関する理論解析 Invited

    松永克志

    NEDO光集積ラボラトリー・第五回計算材料科学公開セミナー 

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    Event date: 2008.6

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:京都   Country:Japan  

  69. Formation mechanism of point defects in hydroxyapatite Invited International conference

    K. Matsunaga

    The 6th Pacific Rim International Conference on Advanced Materials and Processing 

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    Event date: 2007.11

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  70. Grain boundary atomic structures and sliding behavior in oxide bicrystals Invited International conference

    K. Matsunaga, H. Nishimura, H. Muto, T. Yamamoto, Y. Ikuhara

    The 5th Pacific Rim International Conference on Advanced Materials and Processing 

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    Event date: 2004.11

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  71. First-principles calculations of titanium dopants in alumina International conference

    K. Matsunaga, T. Mizoguchi, A. Nakamura, T. Yamamoto, Y. Ikuhara

    The 5th Pacific Rim International Conference on Advanced Materials and Processing 

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    Event date: 2004.11

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  72. First-principles study of incoherent Ni/ZrO2 interfaces International conference

    K. Matsunaga, T. Sasaki, T. Mizoguchi, N. Shibata, T. Yamamoto, Y. Ikuhara

    Nano-Interface Mechanics Symposium 

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    Event date: 2004.9

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  73. First-principles study of bonding and stability of incoherent Ni/ZrO2(111) interfaces International conference

    K. Matsunaga, T. Sasaki, T. Yamamoto, Y. Ikuhara

    11th International Conference on Intergranular and Interphase Boundaries 

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    Event date: 2004.7

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  74. Atomic structures and diffusion behavior in amorphous Si-B-C-N studied by molecular dynamics simulation International conference

    K. Matsunaga, Y. Iwamoto, Y. Ikuhara

    International Symposium on New Frontier of Advanced Si Based Ceramics and Composites (ISASC-2004) 

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    Event date: 2004.6

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  75. TEM in situ straining experiments on crack propagation in brittle ceramics International conference

    K. Matsunaga, S. Ii, C. Iwamoto, T. Yamamoto, Y. Ikuhara

    8th Asia-Pacific Conference on Electron Microscopy (8APEM) 

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    Event date: 2004.6

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  76. HRTEM study on grain boundary atomic structures related to the sliding behavior in alumina bicrystals International conference

    K. Matsunaga, H. Nishimura, S. Hanyu, H. Muto, T. Yamamoto, Y. Ikuhara

    9th international symposium on advanced physical fields (APF-9) 

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    Event date: 2004.3

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  77. In situ observation of crack propagation in magnesium oxide ceramics International conference

    K. Matsunaga, S. Ii, C. Iwamoto, T. Yamamoto, Y. Ikuhara

    The 1st International symposium on active nano-characterization and technology 

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    Event date: 2003.11

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  78. Theoretical study of defect structures in pure and titanium-doped alumina International conference

    K. Matsunaga, A. Nakamura, T. Ymamoto, Y. Ikuhara

    XVth International symposium on the reactivity of solids 

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    Event date: 2003.11

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  79. Grain boundary atomic structures and sliding in alumina bicrystals Invited International conference

    K. Matsunaga, H. Nishimura, S. Hanyu, H. Muto, T. Yamamoto, T. Sakuma, Y. Ikuhara

    EuroConference on Moving Interfaces in Solids 

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    Event date: 2003.8

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  80. Grain boundary characters and sliding of [0001] symmetric tilt boundaries in alumina International conference

    K. Matsunaga, H. Nishimura, H. Muto, T. Yamamoto, Y. Ikuhara

    Mat. Res. Soc. Annual Meeting 

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    Event date: 2003.4

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  81. Atomistic computer simulations of amorphous silicon nitride based ceramics International conference

    K. Matsunaga, H. Matsubara

    Grain Boundary Engineering in Ceramics 

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    Event date: 2000.3

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  82. Molecular Dynamics Simulations of Amorphous Silicon Nitride Ceramics International conference

    K. Matsunaga, H. Matsubara

    Proc of 10th Iketani Conf. on Materials Research toward the 21th Century 

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    Event date: 2000

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  83. Molecular orbital calculations on atomic structures of Si-based covalent amorphous ceramics International conference

    K. Matsunaga, H. Matsubara

    MRS fall meeting 

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    Event date: 1999

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  84. Molecular orbital calculations on atomic structure and chemical bonding state in Si-N-C amorphous ceramics International conference

    K. Matsunaga, H. Matsubara, H. Yanagida

    5th Int. Conf. Inorg. Mem. 

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    Event date: 1998

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  85. Synthesis of polymer-derived Si-N-C membranes for gas permeability International conference

    K. Matsunaga, H. Matsubara, S. Aoki, H. Nomura, H. Yanagida

    5th Int. Conf. Inorg. Mem. 

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    Event date: 1998

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  86. Interaction of a crack with crystal defects and their effect on crack extension International conference

    N. Narita, K. Matsunaga, K. Higashida, H. Adachi

    10th Int. Conf. on the Strength of Materials 

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    Event date: 1994

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

  87. Crack tip shielding/antishielding by dislocations in ionic crystals International conference

    K. Higashida, M. Kamura, S. Minato, K. Matsunaga, N. Narita, R. Onodera

    10th Int. Conf. on the Strength of Materials 

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    Event date: 1994

    Language:English   Presentation type:Oral presentation (general)  

    Country:Japan  

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Research Project for Joint Research, Competitive Funding, etc. 6

  1. 第一原理計算とコンバインした水溶液熱力学的手法によるゼオライトの構造・機能設計

    2012.10 - 2013.9

    公益財団法人泉科学技術振興財団 研究助成 

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    Grant type:Competitive

  2. 化学ポテンシャル図に立脚した多元系機能性材料の精密制御

    2009.9 - 2012.3

    元素戦略プロジェクト 

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    Grant type:Competitive

  3. 電子状態計算に基づいた生体用セラミックスの材料設計手法の開発

    2009.4 - 2010.3

    財団法人材料科学研究助成基金 研究助成 

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    Grant type:Competitive

  4. 第一原理熱力学法による層状酸化チタンからのナノチューブ形成機構の解明

    2008.4 - 2009.3

    財団法人村田学術振興財団 研究助成 

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    Grant type:Competitive

  5. ドーパント電子構造制御によるセラミック材料の高温変形特性設計

    2004.4 - 2005.3

    財団法人池谷科学技術振興財団 研究助成 

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    Grant type:Competitive

  6. セラミックス粒界の超微細構造と高温変形挙動解析

    2003.4 - 2004.3

    日本板硝子材料工学助成会 研究助成 

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    Grant type:Competitive

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KAKENHI (Grants-in-Aid for Scientific Research) 21

  1. 第一原理熱力学計算によるリン酸カルシウム結晶の有機分子修飾機構の解明

    Grant number:21K18818  2021.7 - 2023.3

    科学研究費助成事業  挑戦的研究(萌芽)

    松永 克志

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    Authorship:Principal investigator 

    Grant amount:\6370000 ( Direct Cost: \4900000 、 Indirect Cost:\1470000 )

    人工骨や人工歯根のような生体代替材料開発において、リン酸カルシウム結晶と有機材料との複合化による材料機能発現が目指されている。そこでは、リン酸カルシウム結晶と有機分子が形成する界面の安定性やその起源となる界面相互作用様式が、重要な材料設計指針となる。しかしこれに関する電子・原子レベルからの知見はほとんどない。そこで本研究では、有機分子で修飾したリン酸八カルシウム結晶に着目し、第一原理計算により熱力学的安定性や異なる有機分子に対する選択性について解明することを目的とする。この成果を、リン酸カルシウムと有機分子の複合化に関する基礎学理構築への契機としたい。

  2. 閃亜鉛鉱型半導体結晶の光硬化現象と転位量子構造

    Grant number:21H04618  2021.4 - 2024.3

    松永 克志

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    Authorship:Principal investigator 

    Grant amount:\42640000 ( Direct Cost: \32800000 、 Indirect Cost:\9840000 )

    半導体やセラミックスに用いられる無機結晶は、強固な化学結合性故に、室温で強度は高いが脆い性質をもつとされてきた。しかし近年の硫化亜鉛(ZnS)結晶に関する研究により、周囲の光環境が結晶の機械的性質に大きな影響を与えていることが判明した。しかし、同現象がどのような結晶で発現するのかについては、未だ明らかになっていない。本研究では、ZnSと同じ閃亜鉛鉱構造を持つ化合物半導体結晶を対象とし、光硬化現象のメカニズムと重要因子を明らかにする。

  3. 機能コアのモデリング

    Grant number:19H05786  2019.6 - 2024.3

    科学研究費助成事業  新学術領域研究(研究領域提案型)

    松永 克志, 吉矢 真人, 中村 篤智

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    Authorship:Principal investigator 

    Grant amount:\207610000 ( Direct Cost: \159700000 、 Indirect Cost:\47910000 )

    材料中の結晶欠陥はバルクと異なる原子配列に基づき特異な量子場を形成する。こうした量子場は、材料の各種特性に大きく影響するとともに、多量の希少元素を要することなく新規な機能を発現させるため、その系統的理解が重要な研究課題となっている。そこで本計画研究では、代表的な結晶欠陥である「転位」を主対象として、転位の機能発現の源となる量子場を「転位機能コア」と位置づけ、それと材料機能の相関を解明することで、「機能コアのモデリング」を達成する。
    「転位」は、材料の塑性変形を担う結晶欠陥として古くから知られている。最近では、転位コア近傍の特異な原子配列に基づき発現する新奇な材料機能が見出されるようになっている。本計画研究では、転位局所領域の機能発現の源となる量子場を「転位機能コア」と位置づけ、転位の電子・原子構造モデリングならびにそれに伴う転位の熱伝導特性と電子伝導特性に関して実験および理論の両面から検証を行っている。
    令和2年度では、酸化物材料および半導体材料において熱力学的に安定な転位コア構造とその運動性を理論計算により調査した。また、双結晶実験により転位構造を実際に作製した。さらには、転位局所の熱伝導特性の実験的評価手法の構築を開始した。実験結果の1つとして、マクロな熱伝導特性が塑性変形により変化することが分かった。これは転位が熱伝導に大きく影響することを示していると言える。また、予備検討中でありながら、転位局所の熱伝導特性評価が実現可能との感触を得た。
    また、前年度に予備検討を済ませた転位芯近傍の局所熱伝導の理論解析を、酸化マグネシウム及びチタン酸ストロンチウムに関して行った。その結果、熱伝導に関する従来理論からは予測し得ない、転位芯近傍の結合歪場および異方的集団原子振動による熱伝導度の大幅な低下、特に結合歪に対して非線形依存性を示す局所熱伝導の低下、更には転位の存在による音響モードの全熱伝導に対する大幅な寄与の低下などが見出された。加えて電子伝導に関しては、チタン酸ストロンチウム中の部分転位間の積層欠陥の存在により新たに生じた特異な軌道間相互作用による波動関数の非局在化による電子伝導度向上など、実験結果を裏付ける結果が得られた。
    酸化マグネシウムの刃状転位を対象に、転位コアの電子・原子構造の熱力学的安定構造の検討を行った結果、転位コア構造に関する一定の理解が得られた。また、特異な転位コア構造を有するチタン酸ストロンチウムにおいて、積層欠陥の安定構造についても理解が得られつつある。
    実験的に作製された、酸化マグネシウムおよびチタン酸ストロンチウムの双結晶を用いて、電子顕微鏡観察を行ったところ、想定された転位コア構造が実際に形成されていることが確認された。このうち、代表的な転位コア構造に対して、電子伝導測定を開始するとともに、熱伝導測定の装置開発を行っているところである。
    計算による解析では、熱伝導に関して、上述のモデリングにより得られた酸化マグネシウムおよびチタン酸ストロンチウムの完全転位を対象に局所熱伝導解析を行った。転位芯近傍では結合歪に由来した特異な局所原子振動場が形成され、結果として局所熱伝導度が非線形的に抑制されることが明らかとなった。特にチタン酸ストロンチウム中では2種類の陽イオンへの転位歪場の影響が大きく異なり、音響モードで支配的なストロンチウムの寄与が、転位近傍では劇的に低下し、このことも熱伝導低下の要因であることを明らかにした。電子伝導に関しては、上述の部分転位間積層欠陥モデルを用いて電子伝導解析を行い、電子伝導度増大という実験を裏付ける結果が得られた。以上の様に、これらの従来にない新奇な理論計算も順調に進んでおり、より大規模な系を利用した信頼性のあるデータが現在取得されつつある。
    これまでに完了した理論的な解析結果から、転位コアに局在する量子場の広がりが特性を大きく支配していることが予測されている。そこで、転位特有の量子場の広がりを実験的に評価するために、配列の異なる転位列を材料中に実際に作り出し、それらの重なりを評価する検証実験を開始する。つまり、転位周囲の電子的ポテンシャルの系統的実験を行っていく予定である。また、現在構築中の局所熱伝導特性評価装置を用いて、転位列の熱伝導特性評価の実験に着手する。さらには、半導体において転位が電子やホールを集積し再結合する機能が予測されるため、その再結合に関する実験的な検証を行っていく。
    基本理論では正の相関関係にある熱伝導と電子伝導に関して、転位の存在により電子伝導向上とともに熱伝導抑制が成し得ることが分かってきた。これは例えば熱電変換材料に応用可能である。このような応用をも見据えた観点に基づき、より大規模かつ実際的なモデルを用いて定量性を挙げた伝導性評価を行い、機能コアとしての転位の役割をより明確にしていく。
    転位コアの電子・原子構造の解析から、半導体もしくは絶縁体的な性質を有するイオン結合性材料では、転位における局所電荷を生じるため、理論計算を困難にしている。この問題は転位の存在による本質的なものであり、従来の理論だけでは完全な解決は困難となっている。今後は、実験で得られたデータを有効に利用しつつ、合理的な計算を実施していく。

  4. New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores

    Grant number:6103  2019.6 - 2024.3

    Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

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    Authorship:Principal investigator 

  5. 機能コアの材料科学

    Grant number:19H05785  2019.6 - 2024.3

    科学研究費助成事業  新学術領域研究(研究領域提案型)

    松永 克志, 阿部 真之, 遊佐 斉, 柴田 直哉, 平山 雅章, 溝口 照康, 太田 裕道, 北岡 諭

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    Authorship:Principal investigator 

    Grant amount:\107120000 ( Direct Cost: \82400000 、 Indirect Cost:\24720000 )

    本領域研究では、世界最高水準の電子状態計算、モデル実験、ナノ計測を三本柱とし、機能材料、エネルギー材料、構造材料分野で高い研究業績を上げている研究者らと一体になって、機能コアの概念に立脚した新しい材料科学の学理を構築する。総括班ではこの領域の目的を達成するため、1)研究領域の全体的な研究方針策定、2)連携研究および設備有効利用の促進、3)若手相互派遣による人材育成・国際活動支援、4)公開シンポジウム等の成果公表活動、5)アウトリーチ活動、を行う。さらに、連携研究が最大限の効果を上げるよう、計算解析センター、ナノ計測センター、モデル試料センターを設置し、領域内研究を支援する。
    本領域研究では、世界最高水準の電子状態計算、モデル実験、ナノ計測を三本柱とし、機能材料、エネルギー材料、構造材料分野で高い研究業績を上げている研究者らと一体になって、機能コアの概念に立脚した新しい材料科学の学理を構築する。総括班ではこの領域の目的を達成するため、以下のような活動を行った。
    1)総括班会議開催による研究領域の全体的な研究方針策定を行った。2020年6月19日および2021年3月8日に総括班会議を開催し、本領域の研究進捗状況について議論した。また、領域全体会議のオンライン版として「遠隔連携会議」を計6回実施した。第1期公募研究・研究代表者が、これまでの研究実績や本領域での研究内容について発表し、領域研究者との連携研究を検討した。
    2)連携研究および設備有効利用の促進のため設置している、計算解析センター、ナノ計測センター、モデル試料センターについて運営状況の確認や今後の方針策定を行った。
    3)若手育成支援としてオンラインでの若手の会(若手コラボツアー)を実施した。本年度は、名古屋大学、東京大学、物質材料研究機構が世話役となった。
    4)成果公表活動として、2021年3月8日に2020年度公開シンポジウムを開催した。さらに、日本金属学会と日本セラミックス協会において公募シンポジウムを2件主催するとともに、その他研究会を1件共催し、機能コアのコンセプトを広く公表・周知した。
    5)アウトリーチ活動として、2020年10月17日に名古屋大学で開催された「テクノフェア名大」で本領域のオンラインブース展示を行い、一般も含む参加者に広く本領域のコンセプトを周知した。また、名古屋大学オープンキャンパスおよび名古屋大学オープンレクチャーにて、結晶欠陥に関するオンライン講義を行い、高校生を中心とした世代に本領域研究の紹介を行った。またSNSを活用した本領域の情報発信にも着手した。
    本年度においては、以下のことを実施した。
    1) 研究領域の全体的な研究方針の策定:総括班会議を2回開催し、研究者間で研究・運営方針を共有するとともに、本領域研究がすでに学術的に先導している部分、もしくは今後さらに強化・補充していくべき部分を明らかにし、総括班研究分担者でもある各計画研究班代表者に助言・指導を与えた。また、領域全体会議のオンライン版として「遠隔連携会議」を実施した。第1期公募研究・研究代表者と領域研究者との連携研究を検討した。 2) 連携研究および設備有効利用の促進:本領域研究の3つの核心的技術要素である、計算解析センター、ナノ計測センター、モデル試料センターを設置し、体制作りおよび運営方針策定を行った。 3) 若手相互派遣による人材育成・国際活動支援:若手育成のための活動として、学生や若手研究者が主催するオンラインでの研究会(若手の会)を計3回実施した。 4) 公開シンポジウム等の成果公表活動:2021年3月8日に2020年度公開シンポジウムを開催し、本新学術領域研究の今年度成果を報告するとともに、領域メンバーとともに今後の研究計画について討論・意見交換した。また国内学会・研究会では、公募シンポジウムを2件主催、研究会を1件共催し、機能コアのコンセプトを広く公表・周知した。 5) アウトリーチ活動:計3件の一般向けの模擬講義等を実施し、一般も含む参加者に広く本領域のコンセプトを周知した。また、本領域のYouTubeチャンネルおよびTwitterを開設し、SNSによる情報発信にも着手した。
    以上は当初から予定していた活動である。新型コロナ感染拡大の影響で、国内外での研究者交流は実施できない状況が続いているが、それ以外はおおむね順調に進展しているといえる。
    次年度も継続して、領域内運営を円滑に進めるべく総括班活動を行う。一方で、新型コロナウイルス感染拡大の影響があるため、総括班会議を含めた活動をオンラインで実施する等、可能な限り領域運営や連携研究が円滑に進むように配慮する。現在計画中の総括班関連活動・イベントは、以下の通りである。
    1) 総括班会議、2) 領域全体会議(領域研究の最新トピックスに関する発表と連携研究の促進を目的とする)、3) 公開シンポジウム、4) 領域内の院生・若手研究者を対象とした若手の会(若手コラボツアー)、5) 国内学会での公募シンポジウム(日本金属学会)、6)「テクノフェア名大」およびYouTube上でのアウトリーチ活動。

  6. Electronic origin of surface potentials in bioactive ceramics

    Grant number:19K22048  2019.6 - 2021.3

    Grants-in-Aid for Scientific Research  Grant-in-Aid for Challenging Research (Exploratory)

    Matsunaga Katsuyuki

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    Authorship:Principal investigator 

    Grant amount:\6370000 ( Direct Cost: \4900000 、 Indirect Cost:\1470000 )

    In this study, first-principles calculations were performed to investigate stable atomic structures and charged states of surfaces of hydroxyapatite (HAP). Here the implicit solvation model was employed to consider effect of aqueous solutions in contact with HAP surfaces. It was found that the surface potentials and their related isoelectric pH values obtained here can successfully represent the surface charge states of HAP as experimentally reported.

  7. Extraordinary plastic deformation of ionic inorganic crystals based on dislocation quantum structures

    Grant number:18H03838  2018.4 - 2021.3

    Grants-in-Aid for Scientific Research  Grant-in-Aid for Scientific Research (A)

    Matsunaga Katsuyuki

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    Authorship:Principal investigator 

    Grant amount:\44850000 ( Direct Cost: \34500000 、 Indirect Cost:\10350000 )

    In this study, first-principles calculations were performed for glide dislocations in ZnS and ZnTe, in order to reveal a physical origin of experimentally observed light-dependent plasticity. It was experimentally reported that glide dislocations in ZnS are dissociated into two partial dislocations with stacking faults in between. The present calculations revealed that glide partial dislocations in ZnS tend to have unreconstructed core structures in their ground state. However, atomic structures of the glide dislocations can be reconstructed in the presence of carriers. Since atomic reconstruction of dislocation cores leads to decreased dislocation mobilities, the glide dislocations in ZnS can be strongly restricted in their motion when ZnS is exposed to external visible lights. It was also found that ZnTe also exhibits the similar results.

  8. Theoretical analyses of atomic-level phenomena at bio-ceramic interfaces

    Grant number:17K18982  2017.6 - 2019.3

    Grant-in-Aid for Challenging Research (Exploratory)

    MATSUNAGA katsuyuki

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    Authorship:Principal investigator 

    Grant amount:\6370000 ( Direct Cost: \4900000 、 Indirect Cost:\1470000 )

    Interfaces between aqueous solution and hydroxyapatite were investigated based on first principles calculations. Charge states of HAP surfaces in contact with aqueous solution were evaluated, and it was then found that an (1010) surface, as an example, favors the Ca rich composition more than the stoichiometric and P rich compositions and is positively charged. When Mg2+ and Zn2+ substitutions for Ca2+ were considered, these ions were energetically favorably located around the interface, and yet the most stable substitutional sites were different between Mg2+ and Zn2+.

  9. Atom-by-atom imaging of ion dynamics in nano-structures for materials

    Grant number:17H06094  2017.4 - 2022.3

    Grants-in-Aid for Scientific Research  Grant-in-Aid for Specially Promoted Research

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    Authorship:Coinvestigator(s) 

  10. Exploration of nanostructure-property relationships for materials innovation

    Grant number:15K21748  2015.11 - 2018.3

    Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

    TANAKA Isao

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    Authorship:Collaborating Investigator(s) (not designated on Grant-in-Aid) 

    This group encouraged many international activities of project members. This group supported publishing an open-access international book of our research summary, publishing a special issue in an international journal and providing a series of lectures on our studies. This group also supported young researches to collaborate with foreign researchers.

  11. 神経回路数理モデルによる高精度原子間ポテンシャル開発とセラミックスへの応用

    2015.4 - 2017.3

    科学研究費補助金 

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    Authorship:Principal investigator 

  12. ナノ構造解析のフロンティア開拓

    2013.7 - 2018.3

    科学研究費補助金  特定領域研究

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    Authorship:Principal investigator 

  13. Exploration of nanostructure - property relationships for materials innovation

    Grant number:25106001  2013.6 - 2018.3

    Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

    TANAKA Isao

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    Authorship:Collaborating Investigator(s) (not designated on Grant-in-Aid) 

    This group mainly encouraged the collaboration between project members. This group organized international symposiums for publishing our studies, organized many small workshops for accelerating the communication between researchers with different backgrounds, published an international book of our research summary, and encouraged may activities of young researchers. In addition, this group supported the building of a web site and publication of a booklet.

  14. Frontier of nanometer scale structure analyses

    Grant number:25106002  2013.6 - 2018.3

    Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

    Matsunaga Katsuyuki

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    Authorship:Principal investigator 

    Grant amount:\150930000 ( Direct Cost: \116100000 、 Indirect Cost:\34830000 )

    We investigated electronic and atomic structures of materials interfaces by using first principles calculations and scanning probe microscopes. As a typical example, we revealed detailed electronic and atomic structures of noble metal atoms and clusters on TiO2 surfaces. We also developed an atomic force microscope implementing a pulsed laser deposition technique, which made nanometer scale analyses on metal oxide surfaces efficiently. Moreover, we extended our studies to functional ceramics interfaces and solid state ionics materials.

  15. アパタイト表面修飾イオンの持つ局所電子状態の解明

    2013.4 - 2016.3

    科学研究費補助金  基盤研究(B)

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    Authorship:Principal investigator 

  16. ダクタイルイオン結晶における特異な局所化学結合発現の理論的検証

    2013.4 - 2015.3

    科学研究費補助金 

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    Authorship:Principal investigator 

  17. 第一原理格子ダイナミクスによるアパタイト型高速イオン伝導体の拡散機構解明

    2012.4 - 2013.3

    科学研究費補助金 

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    Authorship:Principal investigator 

  18. 水溶液環境を考慮したアパタイト中のドーパント固溶と炭酸イオン効果

    2009.4 - 2012.3

    科学研究費補助金  基盤研究(B)

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    Authorship:Principal investigator 

  19. 機能元素のナノ材料科学

    2007.10 - 2012.3

    科学研究費補助金  特定領域研究

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    Authorship:Coinvestigator(s) 

  20. アパタイト系セラミックスの量子構造に基づく機能設計

    2006.4 - 2008.3

    科学研究費補助金  若手研究(B)

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    Authorship:Principal investigator 

  21. 高温用非晶質セラミックスの量子構造と機械的特性

    2002.4 - 2005.3

    科学研究費補助金  若手研究(B)

      More details

    Authorship:Principal investigator 

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Teaching Experience (On-campus) 4

  1. 先端材料と物性物理

    2021

  2. 先端材料と物性物理

    2020

  3. Chemical Physics

    2020

  4. Chemical Thermodynamics

    2020

 

Social Contribution 25

  1. The 45th International Conference & Exposition on advanced ceramics and composites(ICACC2021), Session organizer

    Role(s):Planner, Organizing member

    American Ceramic Society  2021.1

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    Audience: Researchesrs

    Type:Lecture

  2. 日本金属学会秋期大会公募シンポジウム「機能コアの材料科学I」、シンポジウムコチェア

    Role(s):Appearance, Presenter, Editer, Planner, Organizing member

    日本金属学会  2020.9

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    Audience: Researchesrs

    Type:Lecture

  3. 日本セラミックス協会特定セッション「機能コア構造解析に基づく材料科学の新展開」、シンポジウムコチェア

    Role(s):Appearance, Presenter, Planner, Organizing member

    日本セラミックス協会  2020.9

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    Audience: Researchesrs

    Type:Lecture

  4. The 44th International Conference & Exposition on advanced ceramics and composites(ICACC2020), Session organizer

    Role(s):Appearance, Presenter, Planner, Organizing member

    American Ceramic Society  2020.1

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    Audience: Researchesrs

    Type:Lecture

  5. Joint 5th International Symposium on Frontiers in Materials Science and 3rd International Symposium on Nano-Materials, Technology and Application, International Advisory Board member

    Role(s):Editer, Planner

    2019.11

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    Audience: Researchesrs

    Type:Lecture

  6. The 13th international meeting of pacific rim ceramic societies (PACRIM13), Symposium Organizer

    Role(s):Appearance, Presenter, Planner, Organizing member

    American Ceramic Society  2019.10

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    Audience: Researchesrs

    Type:Lecture

  7. The 43rd International Conference & Exposition on advanced ceramics and composites(ICACC2019), Session organizer

    Role(s):Appearance, Presenter, Chief editor, Planner, Organizing member

    American Ceramic Society  2019.1

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    Audience: Researchesrs

    Type:Lecture

  8. 日本金属学会秋期大会公募シンポジウム「先進ナノ構造解析に基づく材料科学の新展開」,シンポジウムチェア

    Role(s):Appearance, Presenter, Chief editor, Planner, Organizing member

    日本金属学会  2018.9

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    Audience: Researchesrs

    Type:Lecture

  9. 日本金属学会秋期大会公募シンポジウム「先進ナノ構造解析に基づく材料科学の新展開II」、シンポジウムチェア

    Role(s):Appearance, Presenter, Planner, Organizing member

    日本金属学会  2018.9

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    Audience: Researchesrs

    Type:Lecture

  10. The 41th International Conference & Exposition on advanced ceramics and composites(ICACC2017), Session organizer

    Role(s):Appearance, Planner

    2017.1

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    Audience: College students, Graduate students, Researchesrs, Scientific, Company

    Type:Lecture

  11. 学術討論会「先進材料における軽元素ダイナミクス」、企画世話人

    Role(s):Presenter, Planner

    日本金属学会東海支部・日本鉄鋼協会東海支部  名古屋大学  2016.1

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    Audience: Graduate students, Researchesrs, Scientific, Company

    Type:Lecture

  12. The 40th International Conference & Exposition on advanced ceramics and composites(ICACC2016), Session organizer

    Role(s):Planner

    American Ceramic Society  2016.1

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    Audience: College students, Graduate students, Researchesrs, Scientific, Company

    Type:Lecture

  13. The 39th International Conference & Exposition on advanced ceramics and composites(ICACC2015), Session organizer

    Role(s):Presenter

    2015.1

  14. The 2nd International Symposium on Frontier in Materials Science (FMS2015), Program committee member and Local organizer

    Role(s):Planner

    2014.11 - 2015.11

  15. The 10th International Meeting of Pacific Rim Ceramic Societies (PACRIM10), Symposium Organizer

    Role(s):Presenter

    2013.6

  16. 日本金属学会2011年秋季大会(沖縄) 公募シンポジウム「機能元素のナノ材料科学」, オーガナイザー

    Role(s):Presenter, Planner

    2011.11

  17. 15th International Conference on Thin Films(ICTF-15), Organizing committee member

    Role(s):Presenter, Lecturer, Planner

    2011.11

  18. The 9th International Meeting of Pacific Rim Ceramic Societies (PACRIM9), Symposium Organizer

    Role(s):Presenter

    2011.7

  19. X III International Conference on Intergranular and Interphase Boundaries in Materials, Local organizing committee member

    Role(s):Planner

    2010.6

  20. The Second International Symposium on Advanced Microscopy and Theoretical Calculations, Organizing committee member

    Role(s):Presenter, Planner

    2010.6

  21. 日本金属学会2009年秋季大会(京都大), 実行幹事

    Role(s):Investigater

    2009.9

  22. 日本セラミックス協会第22回秋期シンポジウム(愛媛大)特定セッション「機能元素のナノ材料科学」, オーガナイザー

    Role(s):Presenter, Planner

    2009.9

  23. 金属学会セミナー「機能元素のナノ材料科学」, 世話人

    Role(s):Planner, Organizing member

    2009.7

  24. The 1st International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC1), Organizing committee member

    Role(s):Presenter, Planner

    2008.6

  25. The 2nd International Symposium on New Materials Science, Organizing committee member

    Role(s):Planner

    2006.9

▼display all

Media Coverage 4

  1. セラミックス粒界移動のメカニズムを原子レベルで解明~粒界構造制御による新しい材料設計指針へ~ Internet

    日本経済新聞  https://www.nikkei.com/article/DGXLRSP602972_S1A110C2000000/  2021.1

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    Author:Other 

  2. 光が無いと半導体に柔軟性 TV or radio program

    NHK  おはよう東海  2018.5

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    Author:Myself 

  3. 光の中で半導体のナノ運動とフォースを読む! ~光による構造的強さの変化を測るために Internet

    日本経済新聞  https://www.nikkei.com/article/DGXLRSP605310_Y1A210C2000000/  2121.2

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    Author:Other 

  4. 飛躍的に高強度化したセラミックス複合材料の開発とメカニズム解明に成功:次世代切削工具として応用! Internet

    日本の研究.com  https://research-er.jp/articles/view/94683  2020.12

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    Author:Myself