財団法人ファインセラミックスセンター   試験研究所   研究員

1997.4 - 2001.5

日本金属学会欧文誌編集委員会   編集委員  

2010.4 - 2012   

日本金属学会分科会   分科会委員  

2007.4 - 2012.5   

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   

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   

Most downloaded article 2023

2024.1   Journal of the American Ceramic Society   Improved adhesion of TiN coatings on Al2O3–carbide composites by DFT calculations and experimental arc-PVD synthesis

T. Nishi, J. Moteki, T. Kurahashi, T. Hishida, K. Matsunaga

2023年秋期講演大会第41回優秀ポスター賞

2023.9   日本金属学会   量子モンテカルロ法によるSi結晶中の点欠陥形成エネルギー計算

山田将広, 横井達矢, 小椋優, 松永克志

2023年秋期講演大会第41回優秀ポスター賞

2023.9   日本金属学会   無添加ZnS結晶におけるメカノルミネッセンス特性評価

三品海渡, 小椋優, 横井達矢, 松永克志

2023年秋期講演大会第41回優秀ポスター賞

2023.9   日本金属学会   DFT 計算による有機分子複合リン酸カルシウム結晶の最安定構造探索

須﨑成央, 横井達矢, 小椋優, 松永克志

JCS-Japan優秀総説賞

2023.6   日本セラミックス協会   Cearmic science of crystal defect cores

2022年秋期講演大会第39回優秀ポスター賞

2022.9   日本金属学会   光インデンテーション法を⽤いた酸化亜鉛結晶の転位挙動における光環境効果の評価

大栗洋人、李燕、栃木栄太、方旭飛、谷垣健一、大島優、松永克志、中村篤智

2022年秋期講演大会第39回優秀ポスター賞

2022.9   日本金属学会   ルチル型⼆酸化チタンの転位コアと光伝導特性

髙城杏奈、大島優、横井達矢、中村篤智、松永克志

2022年秋期講演大会第39回優秀ポスター賞

2022.9   日本金属学会   DFT計算による硫化亜鉛結晶における転位運動のポテンシャル障壁評価

赤木優作、星野聖奈、大島優、横井達矢、松永克志

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

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

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

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

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

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

Poster award (3rd place)

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

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  

日本金属学会論文賞（まてりあ論文）

2006   日本金属学会  

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  

JCerSJ優秀論文賞

2005   日本セラミックス協会  

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  

金属組織写真奨励賞

2004.3   日本金属学会  

日本金属学会第1回優秀ポスター賞

2003.10   日本金属学会  

金属組織写真賞佳作賞

2003.3   日本金属学会  

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  

Atomic and electronic structures of inversion domain boundary in MgO doped AlN Reviewed

Kato, D; Feng, B; Nishi, T; Noritake, Y; Hishida, T; Shibata, N; Matsunaga, K; Ikuhara, Y

ACTA MATERIALIA   Vol. 281   2024.12

Artificial-neural-network descriptor enhancing accuracy of machine-learning interatomic potential and its application to lattice defects in Si Reviewed

Uchida, M; Yokoi, T; Ogura, Y; Matsunaga, K

PHYSICAL REVIEW MATERIALS   Vol. 8 ( 10 )   2024.10

Atomic-structure changes of 30° partial-dislocation cores due to excess carriers in GaP Reviewed

Hoshino, S; Oi, S; Ogura, Y; Yokoi, T; Li, Y; Nakamura, A; Matsunaga, K

PHYSICAL REVIEW MATERIALS   Vol. 8 ( 9 )   2024.9

Revealing Atomic Structure of Hybrid Octacalcium-Phosphate Derivative Reviewed

Susaki, N; Saito, T; Yokoi, T; Ogura, Y; Matsunaga, K

INORGANIC CHEMISTRY   Vol. 63 ( 34 ) page： 15924 - 15930   2024.8

Element-selective structural visualization for the oxygen-induced surface of Nb(110) Reviewed

Yasui, Y; Matsunaga, K; Sagisaka, K; Sugimoto, Y

PHYSICAL REVIEW B   Vol. 109 ( 19 )   2024.5

The effect of room-temperature plastic deformation in darkness on the photoluminescence properties of ZnS Reviewed International journal

Ogura, Y; Nakamura, A; Kameyama, T; Kurokawa, Y; Tochigi, E; Shibata, N; Torimoto, T; Hoshino, S; Yokoi, T; Matsunaga, K

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   Vol. 107 ( 4 ) page： 2040 - 2047   2024.4

Bringing the photoplastic effect in ZnO to light: A photoindentation study on pyramidal slip Reviewed International coauthorship

Oguri, H; Li, Y; Tochigi, E; Fang, XF; Tanigaki, K; Ogura, Y; Matsunaga, K; Nakamura, A

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY   Vol. 44 ( 2 ) page： 1301 - 1305   2024.2

Anharmonicity in grain boundary energy for Al: Thermodynamic integration with artificial-neural-network potential Reviewed International journal

Matsuura, M; Yokoi, T; Ogura, Y; Matsunaga, K

SCRIPTA MATERIALIA   Vol. 236   2023.11

Electronic and atomic structures of Shockley-partial dislocations in CdX (X = S, Se and Te) Reviewed

S. Hoshino, T. Yokoi, Y. Ogura, K. Matsunaga

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： 613 - 620   2023.10

Photoplastic effect in MgO single crystals Reviewed

Y. Ogura, Y. Tsuchiya, S. Hoshino, T. Yokoi, K. Matsunaga

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： 628 - 631   2023.10

Direct observation of intrinsic core structure of a partial dislocation in ZnS Reviewed International coauthorship

B. Feng, S. Hoshino, B. Miao, J. Wei, Y. Ogura, A. Nakamura, E. Tochigi, K. Matsunaga, Y. Ikuhara, N. Shibata

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： 659 - 664   2023.10

Grain boundary segregation of Y and Hf dopants in α-Al2O3: A Monte Carlo simulation with artificial-neural-network potential and DFT calculation Reviewed

T. Yokoi, A. Hamajima, Y. Ogura, K. Matsunaga

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： 751 - 761   2023.10

Strain-rate insensitive photoindentation pop-in behavior in ZnS single crystals at room temperature Reviewed International coauthorship

Y. Li, H. Oguri, A. Matsubara, E. Tochigi, X. Fang, Y. Ogura, K. Matsunaga, A. Nakamura

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： 685 - 689   2023.10

Frontiers in Ceramic Research Based on Materials Science of Crystal Defect Cores Invited Reviewed International journal

Matsunaga, K

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 131 ( 10 ) page： P101 - P104   2023.10

Shedding new light on the dislocation-mediated plasticity in wurtzite ZnO single crystals by photoindentation Reviewed International coauthorship International journal

Li, Y; Fang, XF; Tochigi, E; Oshima, Y; Hoshino, S; Tanaka, T; Oguri, H; Ogata, S; Ikuhara, Y; Matsunaga, K; Nakamura, A

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY   Vol. 156   page： 206 - 216   2023.9

Grain-boundary thermodynamics with artificial-neural-network potential: Its ability to predict the atomic structures, energetics, and lattice vibrational properties for Al Reviewed International journal

Yokoi, T; Matsuura, M; Oshima, Y; Matsunaga, K

PHYSICAL REVIEW MATERIALS   Vol. 7 ( 5 )   2023.5

Atomic and electronic structure of grain boundaries in a-Al2O3: A combination of machine learning, first-principles calculation and electron microscopy Reviewed International journal

Yokoi, T; Hamajima, A; Wei, J; Feng, B; Oshima, Y; Matsunaga, K; Shibata, N; Ikuhara, Y

SCRIPTA MATERIALIA   Vol. 229   2023.5

Atomic structures of grain boundaries for Si and Ge: A simulated annealing method with artificial-neural-network interatomic potentials (vol 173, 111114, 2023) Reviewed International journal

Yokoi, T; Oshima, Y; Matsunaga, K

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS   Vol. 176   2023.5

Room-temperature plastic deformation modes of cubic ZnS crystals Reviewed International journal

Kitou, S; Oshima, Y; Nakamura, A; Matsunaga, K; Sawa, H

ACTA MATERIALIA   Vol. 247   2023.4

Ca-vacancy effect on the stability of substitutional divalent cations in calcium-deficient hydroxyapatite Reviewed International journal

Saito Tatsushi, Ishikawa Yuto, Noda Yusuke, Yokoi Tatsuya, Oshima Yu, Nakamura Atsutomo, Matsunaga Katsuyuki

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   Vol. 106 ( 2 ) page： 1587 - 1596   2023.2

Atomic structures of grain boundaries for Si and Ge: A simulated annealing method with artificial-neural-network interatomic potentials

Yokoi, T; Kato, H; Oshima, Y; Matsunaga, K

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS   Vol. 173   2023.2

DFT calculations of carrier-trapping effects on atomic structures of 30° partial dislocationcores in zincblende II-VI group zinc compounds Reviewed International journal

Hoshino, S; Oshima, Y; Yokoi, T; Nakamura, A; Matsunaga, K

PHYSICAL REVIEW MATERIALS   Vol. 7 ( 1 )   2023.1

Orthorhombic distortion-induced anatase-like optoelectronic properties of rutile TiO2 Reviewed International coauthorship

Chen Binjie, Kang Kungwan, Jeen Hyoungjeen, Zhang Yuqiao, Lin Jinghuang, Feng Bin, Ikuhara Yuichi, Hoshino Sena, Matsunaga Katsuyuki, Ohta Hiromichi

JOURNAL OF APPLIED PHYSICS   Vol. 132 ( 18 )   2022.11

Ceramic science of crystal defect cores Reviewed International journal

Matsunaga Katsuyuki, Yoshiya Masato, Shibata Naoya, Ohta Hiromichi, Mizoguchi Teruyasu

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 130 ( 8 ) page： 648 - 667   2022.8

Improved adhesion of TiN coatings on Al2O3-carbide composites by DFT calculations and experimental arc-PVD synthesis Reviewed International journal

Nishi Tomohiro, Moteki Jun, Kurahashi Toshiaki, Hishida Tomoko, Matsunaga Katsuyuki

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   Vol. 105 ( 7 ) page： 4859 - 4869   2022.7

Atomic structures and stability of finite-size extended interstitial defects in silicon: Large-scale molecular simulations with a neural-network potential Reviewed International journal

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

SCRIPTA MATERIALIA   Vol. 214   page： 114650   2022.6

First-Principles Analysis of the Oxide-Ion Conduction Mechanism in Si-Deficient Lanthanum Silicate Apatite Reviewed

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

JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 126 ( 13 ) page： 5805 - 5812   2022.4

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

Yokoi, T; Adachi, K; Iwase, S; Matsunaga, K

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

Effect of La vacancies on the oxide-ion conduction in lanthanum silicate apatites Reviewed International journal

Ogura, Y; Yokoi, T; Fujii, K; Yashima, M; Matsunaga, K

SOLID STATE IONICS   Vol. 373   2021.12

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

Ushiro, T; Yokoi, T; Noda, Y; Kamiyama, E; Ohbitsu, M; Nagakura, H; Sueoka, K; Matsunaga, K

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

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

Segregation mechanism of arsenic dopants at grain boundaries in silicon Reviewed

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

Direct imaging of atomistic grain boundary migration Reviewed International coauthorship

Wei, JK; Feng, B; Ishikawa, R; Yokoi, T; Matsunaga, K; Shibata, N; Ikuhara, Y

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

Donor and acceptor-like self-doping by mechanically induced dislocations in bulk TiO₂ Reviewed International coauthorship International journal

Muhammad, QK; Porz, L; Nakamura, A; Matsunaga, K; Rohnke, M; Janek, J; Rödel, J; Frömling, T

NANO ENERGY   Vol. 85   2021.7

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

Porz, L; Frömling, T; Nakamura, A; Li, N; Maruyama, R; Matsunaga, K; Gao, P; Simons, H; Dietz, C; Rohnke, M; Janek, J; Rödel, J

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

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

Niwa, K; Iijima, Y; Ukita, M; Toda, R; Toyoura, K; Sasaki, T; Matsunaga, K; Gaida, NA; Hasegawa, M

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

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

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

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

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

Zhu, TT; Ding, K; Oshima, Y; Amiri, A; Bruder, E; Stark, RW; Durst, K; Matsunaga, K; Nakamura, A; Fang, XF

APPLIED PHYSICS LETTERS   Vol. 118 ( 15 )   2021.4

Photoindentation: A New Route to Understanding Dislocation Behavior in Light Reviewed International coauthorship

Nakamura, A; Fang, XF; Matsubara, A; Tochigi, E; Oshima, Y; Saito, T; Yokoi, T; Ikuhara, Y; Matsunaga, K

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

Crystal and Electronic Structures of MoSi₂-Type CrGe₂ Synthesized under High Pressure Reviewed International journal

Sasaki, T; Kanie, K; Yokoi, T; Niwa, K; Gaida, NA; Matsunaga, K; Hasegawa, M

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

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

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

Segregation mechanism of arsenic dopants at grain boundaries in silicon

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

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS-METHODS   Vol. 1 ( 1 ) page： 169 - 180   2021.1

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

Nishi, T; Matsunaga, K; Mitsuoka, T; Okimura, Y; Katsu, Y

SCIENTIFIC REPORTS   Vol. 10 ( 1 )   2020.12

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

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

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

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

ACTA MATERIALIA   Vol. 195   page： 645 - 653   2020.8

Room-temperature creep deformation of cubic ZnS crystals under controlled light conditions Reviewed International coauthorship

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

ACTA MATERIALIA   Vol. 195   page： 690 - 697   2020.8

Direct Measurement of Electronic Band Structures at Oxide Grain Boundaries Reviewed International journal

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

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

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

PHYSICAL REVIEW MATERIALS   Vol. 4 ( 2 )   2020.2

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

Controlled release of DNA from zinc and magnesium ion-doped hydroxyapatites Reviewed International journal

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

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

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

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

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

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

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

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

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

Electronic and atomic structures of edge and screw dislocations in rock salt structured ionic crystals Reviewed International journal

Ukita Masaya, Nakamura Atsutomo, Yokoi Tatsuya, Matsunaga Katsuyuki

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

<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

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

Physical Origin of Unusual Anisotropic Motion of Columnar Oxygen Ions in Apatite-Type Fast Ionic Conductor of Lanthanum Silicate

Matsunaga, K; Imaizumi, K; Nakamura, A; Toyoura, K

JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 121 ( 38 ) page： 20621 - 20628   2017.9

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

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

SCRIPTA MATERIALIA   Vol. 138   page： 109 - 113   2017.9

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

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

A First-Principles Study on Proton Conductivity of Acceptor-Doped Tin Pyrophosphate Reviewed International journal

Toyoura Kazuaki, Terasaka Junya, Nakamura Atsutomo, Matsunaga Katsuyuki

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

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

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

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

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

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

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

Ionic conduction mechanisms of apatite-type lanthanum silicate and germanate from first principles Invited Reviewed International journal

Matsunaga, K

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   Vol. 125 ( 9 ) page： 670 - 676   2017

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Proton incorporation and migration in monazite-structured oxides Reviewed

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

K. Matsunaga, H. Murata

AMTC Lett.   Vol. 2   page： 152   2010

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

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

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

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

Theoretical defect energetics in calcium phosphate bioceramics

K. Matsunaga

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

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

Mechanism of incorporation of zinc in hydoroxyapatite

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

Acta Biomater.   Vol. 6   page： 2289   2010

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

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

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

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

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

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

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

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

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

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

K. Matsunaga, H. Murata

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

Formation energies of substitutional sodium and potassium in hydroxyapatite

K. Matsunaga, H. Murata

  Vol. 50   page： 1041   2009

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

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

K. Matsunaga

AMTC lett.   Vol. 1   page： 184   2008

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

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

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

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

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

K. Matsunaga

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

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

K. Matsunaga

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

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

Lattice dynamics and thermodynamical properties of silicon nitride polymorphs

A. Kuwabara, K. Matsunaga, I. Tanaka

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

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

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

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

First-principles study of vacancy formation in hydroxyapatite

K. Matsunaga, A. Kuwabara

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

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

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

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

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

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

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

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

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

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

Multiple dissociation of grain boundary dislocations in alumina ceramics

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

Phil. Mag.   Vol. 86   page： 4657   2006

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

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

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

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

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

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

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

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

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

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

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

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

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

Fabrication of Ti nanowires in sapphire single crystal

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

High temperature compression tests of alumina bicrystals

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

Mater. Trans.   Vol. 45   page： 2122   2004

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

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

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

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

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

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

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

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

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

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

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

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

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

Conductive nanowires in insulating ceramics

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

Nature Materials   Vol. 2   page： 453   2003

First-principles calculations of intrinsic defects in Al2O3

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

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

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

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

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

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

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

Grain boundary characters and structures in oxide ceramics

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

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

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

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

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

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

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

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

Atomistic computer simulations of amorphous silicon nitride based ceramics

K. Matsunaga, H. Matsubara

Ceramic Trans.   Vol. 118   page： 57   2000

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

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

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

Tersoff potential parameters for simulating cubic boron carbonitrides

K. Matsunaga, C. Fisher, H. Matsubara

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

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

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

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

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

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

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

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

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

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

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

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

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

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 

材料機能コアの計算設計 Invited

松永克志

日本金属学会 2023年秋期(第173回)講演大会  2023.9.20  日本金属学会

Quantum structures of dislocation cores in inorganic semiconductor crystals Invited International conference

K. Matsunaga

The 4th Workshop on Functional Materials Science (FMS2023)  2023.6.18 

Distinctive mechanical and functional properties due to glide dislocations in zinc sulfide Invited International conference

Katsuyuki Matsunaga

47th International Conference and Expo on Advanced Ceramics and Composites (ICACC2023)  2023.1.26  American Ceramic Society

格子欠陥の原子構造と特性の高精度予測に向けたニューラルネットワーク記述子・原子間ポテンシャルの構築

横井達矢, 大島優, 松永克志

第32回日本MRS年次大会  2022.12 

人工ニューラルネットワーク原子間ポテンシャルによるAl粒界自由エネルギーとその非調和項の解析

松浦茉耶, 横井達矢, 大島優, 松永克志

第32回日本MRS年次大会  2022.12 

Cd化合物半導体におけるキャリアトラップによる転位コア構造再構成

星野聖奈, 大島優, 横井達矢, 中村篤智, 松永克志

第32回日本MRS年次大会  2022.12 

機能コアの材料科学 Invited

松永克志

第16回 物性科学領域横断研究会  2022.11.25 

Electronic and atomic structures of dislocation cores in an inorganic semiconductor showing distinctive mechanical behavior Invited International conference

The 23rd Asian workshop on first-principles electronic structure calculations (ASIAN-23)  2022.10.31 

格子欠陥の原子構造・特性の予測に向けたニューラルネットワーク記述子および原子間ポテンシャルの構築

横井達矢, 大島優, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.22 

人工ニューラルネットワーク原子間ポテンシャルによるAl粒界自由エネルギーとその非調和項の解析

松浦茉耶, 横井達矢, 大島優, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.22 

ニューラルネットワーク原子間ポテンシャルによるAl2O3粒界におけるHf偏析構造の予測

浜島明宏, 横井達矢, 大島優, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.22 

ルチル型二酸化チタンの転位コアと光伝導特性

髙城杏奈, 大島優, 横井達矢, 中村篤智, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.21 

酸化亜鉛における活動すべり系に関するDFT計算

田中嵩純, 星野聖奈, 大島優, 横井達矢, 中村篤智, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.21 

DFT計算による硫化亜鉛結晶における転位運動のポテンシャル障壁評価

赤木優作, 星野聖奈, 大島優, 横井達矢, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.21 

化合物半導体 ZnX(X = S, Se, Te)における転位コア再構成に関する DFT計算

星野聖奈, 大島優, 横井達矢, 中村篤智, 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.21 

閃亜鉛鉱型ZnS単結晶における室温塑性変形機構

大島優, 鬼頭俊介, 中村篤智, 横井達矢, 澤博 松永克志

日本金属学会 2022年秋期(第171回)講演大会  2022.9.22 

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) 

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 

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 

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 

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 

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

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

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 

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 

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

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

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

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

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

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

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

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

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

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

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

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」

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) 

Dislocations in Inorganic Crystals as Ceramic Genome Invited International conference

K. Matsunaga

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

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 

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 

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) 

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) 

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) 

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 

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 

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 

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 

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

K. Matsunaga

ICSMA18 

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

K. Matsunaga

14th International Ceramics Congress(CIMTEC) 

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 

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 

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 

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 

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 

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 

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 

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) 

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 

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 

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) 

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) 

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 

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 

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 

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 

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 

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 

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 

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 

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 

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 

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 

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) 

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

K. Matsunaga

CIMTEC 

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 

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 

Point defect thermodynamics in calcium phosphate bioceramics Invited International conference

K. Matsunaga

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

Theoretical defect energetics in bioactive calcium phosphates Invited International conference

K. Matsunaga

The 3rd Theory Meets Industry International Workshop (TMI2009) 

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

K. Matsunaga

Materials Science & Technology 2009 

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 

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 

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

K. Matsunaga

MRS fall Meeting 

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 

Formation mechanism of point defects in hydroxyapatite Invited International conference

K. Matsunaga

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

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 

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 

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 

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 

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) 

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) 

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) 

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 

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 

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 

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 

Atomistic computer simulations of amorphous silicon nitride based ceramics International conference

K. Matsunaga, H. Matsubara

Grain Boundary Engineering in Ceramics 

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 

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

K. Matsunaga, H. Matsubara

MRS fall meeting 

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. 

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. 

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 

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 

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 

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 

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

Grant number：6103  2019.6 - 2024.3

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

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

Grant number：19H05785  2019.6 - 2024.3

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

Matsunaga Katsuyuki

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

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

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

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

Grant number：17H06094  2017.4 - 2022.3

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

Ikuhara Yuichi

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

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 

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

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

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

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)

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 

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 

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)

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

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)

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)

The 46th International Conference & Exposition on advanced ceramics and composites(ICACC2022), Session organizer

Role(s)：Planner,　Organizing member

American Ceramic Society  2022.1

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II」、シンポジウムコチェア

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

日本金属学会  2021.9

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

Role(s)：Planner,　Organizing member

American Ceramic Society  2021.1

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

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

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

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

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

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

American Ceramic Society  2019.10

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

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