日本金属学会
日本機械学会
Manufacturing technology (mechanical, electrical/electronic, chemical engineering) / Machine materials and mechanics /
Nanotechnology/Materials / Metallic materials /
Informatics / Computational science /
Nanotechnology/Materials / Structural and functional materials /
日本機械学会奨励賞(研究)
日本機械学会 2020/04
2013 秋季大会優秀ポスター賞
日本金属学会 2013/09
分子動力学部門委員会賞 (MD 賞 )
日本材料学会 2011/05
基礎工学研究科賞
大阪大学大学院基礎工学研究科 2011/03
基礎工学部賞
大阪大学大学院基礎工学部 2009/03
Quantitative analysis of hydrogen absorption in pure aluminum: Theoretical and experimental approaches
Akio Ishii, Keitaro Horikawa
Materialia Vol. 42 2025/08 Research paper (scientific journal)
Parameter-free multiscale analysis of hydrogen solubility in Pd nanofilms under hydrogen gas using density functional theory
Akio Ishii, Nobutomo Nakamura
Journal of Applied Physics Vol. 137 No. 6 2025/02/14 Research paper (scientific journal)
Edge- and vertex-originated differences between nanoparticles and nanovoids: A density functional theory study of face-centered-cubic Al
Akio Ishii
Computational Materials Science Vol. 246 2025/01 Research paper (scientific journal)
Publisher's Note: “Enhancement of hydrogen response by forming an Au submonolayer on nanogap Pd nanoparticles” [Appl. Phys. Lett. 125, 021902 (2024)]
Nobutomo Nakamura, Kazushi Yoshikawa, Akio Ishii
Applied Physics Letters Vol. 125 No. 5 2024/07/29 Research paper (scientific journal)
Publisher: AIP Publishing
Enhancement of hydrogen response by forming an Au submonolayer on nanogap Pd nanoparticles
Nobutomo Nakamura, Kazushi Yoshikawa, Akio Ishii
Applied Physics Letters Vol. 125 No. 2 2024/07/08 Research paper (scientific journal)
Strain-field calculation based on X-ray CT images via point matching of impurities using Voronoi diagram
Akio Ishii, Keitaro Horikawa, Masato Hoshino, Kentaro Uesugi
Materialia p. 102175-102175 2024/07 Research paper (scientific journal)
Publisher: Elsevier BV
Energetical effects of the edges and vertices of face-centered-cubic Pd and Au nanoparticles: A density functional theory study
Akio Ishii
Computational Materials Science Vol. 243 p. 113122-113122 2024/07 Research paper (scientific journal)
Publisher: Elsevier BV
Shuffling pathway of anti-twinning in body-centered-cubic metals
Hongxian Xie, Gaobing Wei, Jun-Ping Du, Akio Ishii, Guanghong Lu, Peijun Yu, Shigenobu Ogata
Scripta Materialia Vol. 246 p. 116083-116083 2024/06 Research paper (scientific journal)
Publisher: Elsevier BV
Ab initio morphology prediction of Pd, Ag, Au, and Pt nanoparticles on (0001) sapphire substrates
Akio Ishii, Nobutomo Nakamura
Journal of Applied Physics Vol. 135 No. 9 2024/03/07 Research paper (scientific journal)
Ab initio stability prediction of β titanium and α and ω precipitates in β titanium matrix for titanium alloys using density functional theory and micromechanics
Akio Ishii
Materials Today Communications Vol. 38 p. 107708-107708 2024/03 Research paper (scientific journal)
Publisher: Elsevier BV
Effect of purity on the internal morphology of blisters on aluminum surfaces
Keitaro Horikawa, Akio Ishii
Results in Materials Vol. 21 p. 100522-100522 2024/01 Research paper (scientific journal)
Publisher: Elsevier BV
Morphology prediction of elastically interacting Zr hydride precipitates and cracks in alpha-Zr using atomistically informed Eshelby's ellipsoidal inclusion
Akio Ishii
Computational Materials Science Vol. 231 p. 112568-112568 2024/01 Research paper (scientific journal)
Publisher: Elsevier BV
Influence of elastic anisotropy on the shapes of ellipsoidal blisters and stress field around the blisters in solid materials
Akio Ishii
AIP Advances Vol. 13 No. 12 2023/12/01 Research paper (scientific journal)
In situ observation of morphological change of Pd-based bimetallic nanoparticles synthesized by co-sputtering
N. Nakamura, K. Matsuura, A. Ishii
Journal of Applied Physics Vol. 134 No. 14 2023/10/14 Research paper (scientific journal)
Retraction notice to “Shuffling pathway of anti-twinning in body-centered-cubic metals” [SMM 222/1 (2023) 114999]
Hongxian Xie, Gaobing Wei, Jun-Ping Du, Akio Ishii, Guanghong Lu, Peijun Yu, Shigenobu Ogata
Scripta Materialia p. 115747-115747 2023/09 Research paper (scientific journal)
Publisher: Elsevier BV
Ab initio prediction of temperature-dependent stability of heterogeneous B19′ phase in TiNi alloy using atomistically informed Eshelby’s ellipsoidal inclusion
Akio Ishii
Materials Today Communications Vol. 35 p. 105861-105861 2023/06 Research paper (scientific journal)
Publisher: Elsevier BV
Elastic investigation for the existence of B33 phase in TiNi shape memory alloys using atomistically informed Eshelby’s ellipsoidal inclusion
Akio Ishii
Computational Materials Science Vol. 218 p. 111954-111954 2023/02 Research paper (scientific journal)
Publisher: Elsevier BV
Shuffling pathway of anti-twinning in body-centered-cubic metals
Hongxian Xie, Gaobing Wei, Jun-Ping Du, Akio Ishii, Guanghong Lu, Peijun Yu, Shigenobu Ogata
Scripta Materialia Vol. 222 p. 114999-114999 2023/01 Research paper (scientific journal)
Publisher: Elsevier BV
Activation energy of homogeneous nucleation of Zr hydride: Density functional theory calculation
Akio Ishii
Computational Materials Science Vol. 215 p. 111769-111769 2022/12 Research paper (scientific journal)
Publisher: Elsevier BV
Ab initio morphology prediction of Zr hydride precipitates using atomistically informed Eshelby’s ellipsoidal inclusion
Akio Ishii
Computational Materials Science Vol. 211 p. 111500-111500 2022/08 Research paper (scientific journal)
Publisher: Elsevier {BV}
Nucleation kinetics of the β″ precipitate in dilute Mg–Y alloys: A kinetic Monte Carlo study
Heting Liao, Hajime Kimizuka, Akio Ishii, Jun Ping Du, Shigenobu Ogata
Scripta Materialia Vol. 210 p. 114480-114480 2022/03/15 Research paper (scientific journal)
Publisher: Elsevier BV
Restructuring in bimetallic core-shell nanoparticles: Real-time observation
Nakamura, N., Matsuura, K., Ishii, A., Ogi, H.
Physical Review B Vol. 105 No. 12 2022/03/01 Research paper (scientific journal)
Publisher: American Physical Society (APS)
Dislocation-Mediated Hydride Precipitation in Zirconium
Liu, S.-M., Ishii, A., Mi, S.-B., Ogata, S., Li, J., Han, W.-Z.
Small Vol. 18 No. 9 p. 2105881-2105881 2022 Research paper (scientific journal)
Publisher: Wiley
Spatial and temporal heterogeneity of Kohlrausch–Williams–Watts stress relaxations in metallic glasses
Ishii, A.
Computational Materials Science Vol. 198 p. 110673-110673 2021/10 Research paper (scientific journal)
Publisher: Elsevier BV
Database-driven semigrand canonical Monte Carlo method: Application to segregation isotherm on defects in alloys
Rodrigo Pinheiro Campos, Shuhei Shinzato, Akio Ishii, Shuichi Nakamura, Shigenobu Ogata
Physical Review E Vol. 104 No. 2 2021/08/25 Research paper (scientific journal)
Publisher: American Physical Society ({APS})
Atomistic Modeling of Nucleation of Guinier-Preston Zones in Age-Hardenable Aluminum Alloys
Hajime Kimizuka, Hiroshi Miyoshi, Akio Ishii, Shigenobu Ogata
Materia Japan Vol. 60 No. 8 p. 467-474 2021/08/01 Research paper (scientific journal)
Publisher: Japan Institute of Metals
Competing nucleation of single- and double-layer Guinier–Preston zones in Al–Cu alloys
Hiroshi Miyoshi, Hajime Kimizuka, Akio Ishii, Shigenobu Ogata
Scientific Reports Vol. 11 No. 1 2021/02 Research paper (scientific journal)
Publisher: Springer Science and Business Media LLC
First-principles adaptive-boost accelerated molecular dynamics simulation with effective boost potential construction methods: A study of Li diffusion in Si crystal
Yamamoto, M., Ishii, A., Shinzato, S., Ogata, S., Ozaki, T.
Japanese Journal of Applied Physics Vol. 59 No. 12 p. 125002-125002 2020/12/01 Research paper (scientific journal)
Publisher: IOP Publishing
Energetics of heterogeneous Mg {101¯2} deformation twinning migration using an atomistically informed phase-field model
Ishii, A.
Computational Materials Science Vol. 183 p. 109907-109907 2020/10 Research paper (scientific journal)
Publisher: Elsevier BV
Temperature-dependent nucleation kinetics of Guinier-Preston zones in Al–Cu alloys: An atomistic kinetic Monte Carlo and classical nucleation theory approach
Miyoshi, H., Kimizuka, H., Ishii, A., Ogata, S.
Acta Materialia Vol. 179 2019/12 Research paper (scientific journal)
Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron
Liang Wan, Wen Tong Geng, Akio Ishii, Jun-Ping Du, Qingsong Mei, Nobuyuki Ishikawa, Hajime Kimizuka, Shigenobu Ogata
International Journal of Plasticity Vol. 112 p. 206-219 2019/01 Research paper (scientific journal)
Publisher: Elsevier BV
加速分子動力学法の開発と応用-Adaptive Boost法(AB法)
明男 石井
アンサンブル Vol. 19 No. 3 p. 151-157 2017/07/30 Research paper (scientific journal)
Atomistic modeling study of a strain-free stress driven grain boundary migration mechanism
Liang Wan, Akio Ishii, Jun-Ping Du, Wei-Zhong Han, Qingsong Mei, Shigenobu Ogata
SCRIPTA MATERIALIA Vol. 134 p. 52-56 2017/06 Research paper (scientific journal)
Hydrogen bubble nucleation in alpha-iron
W. T. Geng, Liang Wan, Jun-Ping Du, Akio Ishii, Nobuyuki Ishikawa, Hajime Kimizuka, Shigenobu Ogata
SCRIPTA MATERIALIA Vol. 134 p. 105-109 2017/06 Research paper (scientific journal)
Hydrogen embrittlement of iron controlled by reaction between dislocations and grain boundaries
Liang Wan, Wen Tong Geng, Jun-Ping Du, Akio Ishii, Nobuyuki Ishikawa, Hajime Kimizuka, Shigenobu Ogata
ICF 2017 - 14th International Conference on Fracture Vol. 2 p. 612-613 2017 Research paper (international conference proceedings)
Publisher: International Conference on FractureShuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
Akio Ishii, Ju Li, Shigenobu Ogata
INTERNATIONAL JOURNAL OF PLASTICITY Vol. 82 p. 32-43 2016/07 Research paper (scientific journal)
Entropic effect on creep in nanocrystalline metals
Yun-Jiang Wang, Akio Ishii, Shigenobu Ogata
ACTA MATERIALIA Vol. 61 No. 10 p. 3866-3871 2013/06 Research paper (scientific journal)
"Conjugate Channeling" Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron
Akio Ishii, Ju Li, Shigenobu Ogata
PLOS ONE Vol. 8 No. 4 2013/04 Research paper (scientific journal)
Atomistic Design of High Strength Crystalline-Amorphous Nanocomposites
Shin Yamamoto, Yun-Jiang Wang, Akio Ishii, Shigenobu Ogata
MATERIALS TRANSACTIONS Vol. 54 No. 9 p. 1592-1596 2013 Research paper (scientific journal)
Multi-replica molecular dynamics modeling
Akio Ishii, Hajime Kimizuka, Shigenobu Ogata
COMPUTATIONAL MATERIALS SCIENCE Vol. 54 p. 240-248 2012/03 Research paper (scientific journal)
Adaptive-boost molecular dynamics simulation of carbon diffusion in iron
Akio Ishii, Shigenobu Ogata, Hajime Kimizuka, Ju Li
PHYSICAL REVIEW B Vol. 85 No. 6 2012/02 Research paper (scientific journal)
Grain Size Dependence of Creep in Nanocrystalline Copper by Molecular Dynamics
Yun-Jiang Wang, Akio Ishii, Shigenobu Ogata
MATERIALS TRANSACTIONS Vol. 53 No. 1 p. 156-160 2012/01 Research paper (scientific journal)
Transition of creep mechanism in nanocrystalline metals
Yun-Jiang Wang, Akio Ishii, Shigenobu Ogata
PHYSICAL REVIEW B Vol. 84 No. 22 2011/12 Research paper (scientific journal)
1036 Multi-replica Molecular Dynamics Modeling Method and Its Applications
Akio ISHII, Hiroki USHIDA, Hajime KIMIZUKA, Shigenobu OGATA
The Proceedings of The Computational Mechanics Conference Vol. 2009.22 p. 304-305 2009 Research paper (scientific journal)
Publisher: Japan Society of Mechanical Engineers
Continuum model for interacting faults: emergence of main fault and Gutenberg-Richter's law
Akio Ishii
SSRN 2025 Rapid communication, short report, research note, etc. (scientific journal)
Publisher: Elsevier BV
Atomistic study of shear fracture of metallic glass
Akio ISHII, Tomoaki NIYAMA, Tomotsugu SHIMOKAWA, Hajime KIMIZUKA, Shigenobu OGATA
The Proceedings of The Computational Mechanics Conference Vol. 2017.30 p. 160-160 2017
Publisher: Japan Society of Mechanical Engineers
Atomistic analysis of the driving force behind the formation of G.P. zones in age-hardening alloys
Hiroshi MIYOSHI, Akio ISHII, Hajime KIMIZUKA, Shigenobu OGATA
The Proceedings of the Materials and Mechanics Conference Vol. 2017 p. PS28-PS28 2017
Publisher: Japan Society of Mechanical Engineers
Atomistic Analysis of Migration Process of Basal Dislocations in Dilute Mg-Y Alloys
Hajime KIMIZUKA, Kazuhei TAKAHASHI, Akio ISHII, Shigenobu OGATA
The Proceedings of the Materials and Mechanics Conference Vol. 2017 p. OS0706-OS0706 2017
Publisher: Japan Society of Mechanical Engineers
Atomistic study on cross-slip mechanism of 〈a〉 screw dislocations in pure Mg
Kazuhei TAKAHASHI, Akio ISHII, Hajime KIMIZUKA, Shigenobu OGATA
The Proceedings of the Materials and Mechanics Conference Vol. 2016 p. OS01-03 2016
Publisher: Japan Society of Mechanical Engineers
OS0118-165 First-principle study of the MG {10-12}<10-1-1> deformation twinning mechanism & coarse-grained modelling analysis of critical necessary stress of twinning deformation activation
ISHII Akio, LI Ju, OGATA Shigenobu
Vol. 2015 p. "OS0118-165-1"-"OS0118-165-3" 2015/11/21
Publisher: The Japan Society of Mechanical Engineers
1036 Multi-replica Molecular Dynamics Modeling Method and Its Applications
ISHII Akio, USHIDA Hiroki, KIMIZUKA Hajime, OGATA Shigenobu
The Computational Mechanics Conference Vol. 2009 No. 22 p. 304-305 2009/10/10
Publisher: The Japan Society of Mechanical Engineers
Development of multipurpose molecular simulation program on GPU
Proceedings of the conference on computational engineering and science Vol. 14 No. 1 p. 273-276 2009/05
Publisher: 日本計算工学会
PS38 Hierarchical parallel molecular dynamics simulations of nanomaterials deformation on a Cell-based cluster
Matsuno Takayuki, Ishii Akio, Kimizuka Hajime, Ogata Shigenobu
Vol. 2008 p. "PS38-1"-"PS38-2" 2008/09/16
Publisher: The Japan Society of Mechanical Engineers
Morphology prediction of the inclusions in metal using density functional theory and Eshelby analysis
Akio Ishii
SMS2022 & GIMRT User Meeting 2022 2022/03/03
時間拡張原子シミュレーションの現状と問題点
石井明男
日本学術会議 第10回計算力学シンポジウム 2020/12
材料科学の基づく地震のモデリング
石井明男
日本機械学会特別講演会「材料科学と地震学の融合を目指して」 2020/01/10
原子のシャッフリングを伴う双晶変形の第一原理的解析
石井明男
日本材料学会マルチスケール 材料力学部門委員会第67 期第2 回公開部門委員会(研究会) 2019/03
パラジウム原子、金ナノ粒子内に拡散 阪大が即時観測成功
2022/03/02
Quantitative analysis of hydrogen absorption in pure aluminum: Theoretical and experimental approaches
Ishii Akio, Horikawa Keitaro
Materialia Vol. 764 2025/06/10
Parameter-free multiscale analysis of hydrogen solubility in Pd nanofilms under hydrogen gas using density functional theory
Ishii Akio, Nakamura Nobutomo
Journal of Applied Physics Vol. 137 No. 6 2025/02/14
Edge- and vertex-originated differences between nanoparticles and nanovoids: A density functional theory study of face-centered-cubic Al
Ishii Akio
Computational Materials Science Vol. 246 2025/01/01
Strain-field calculation based on X-ray CT images via point matching of impurities using Voronoi diagram
Ishii Akio, Horikawa Keitaro, Hoshino Masato, Uesugi Kentaro
Materialia Vol. 36 2024/08/01
Enhancement of hydrogen response by forming an Au submonolayer on nanogap Pd nanoparticles
Nakamura Nobutomo, Yoshikawa Kazushi, Ishii Akio
Applied Physics Letters Vol. 125 2024/07/09
Energetical effects of the edges and vertices of face-centered-cubic Pd and Au nanoparticles: A density functional theory study
Ishii Akio
Computational Materials Science Vol. 243 2024/05/28
Ab initio morphology prediction of Pd, Ag, Au, and Pt nanoparticles on (0001) sapphire substrates
Ishii Akio, Nakamura Nobutomo
Journal of Applied Physics Vol. 135 No. 9 2024/03/07
Effect of purity on the internal morphology of blisters on aluminum surfaces
Horikawa Keitaro, Ishii Akio
Results in Materials Vol. 21 2024/03/01
Influence of elastic anisotropy on the shapes of ellipsoidal blisters and stress field around the blisters in solid materials
Ishii Akio
AIP Advances Vol. 13 No. 12 2023/12/28
Ab initio stability prediction of β titanium and α and ω precipitates in β titanium matrix for titanium alloys using density functional theory and micromechanics
Ishii Akio
Materials Today Communications Vol. 62 2023/11/28
Morphology prediction of elastically interacting Zr hydride precipitates and cracks in α -Zr using atomistically informed Eshelby’s ellipsoidal inclusion
Ishii Akio
Computational Materials Science Vol. 231 2023/10/21
Ab initio prediction of temperature-dependent stability of heterogeneous B19′ phase in TiNi alloy using atomistically informed Eshelby’s ellipsoidal inclusion
Ishii Akio
Materials Today Communications Vol. 35 2023/06
Elastic investigation for the existence of B33 phase in TiNi shape memory alloys using atomistically informed Eshelby’s ellipsoidal inclusion
Ishii Akio
Computational Materials Science Vol. 218 2023/02/05
Activation energy of homogeneous nucleation of Zr hydride: Density functional theory calculation
Ishii Akio
Computational Materials Science Vol. 215 2022/09/07
Ab initio morphology prediction of Zr hydride precipitates using atomistically informed Eshelby’s ellipsoidal inclusion
Ishii Akio
Computational Materials Science Vol. 211 2022/05/19
Restructuring in bimetallic core-shell nanoparticles: Real-time observation
Nakamura Nobutomo, Matsuura Koji, Ishii Akio, Ogi Hirotsugu
Physical Review B Vol. 105 2022/03/01
Spatial and temporal heterogeneity of Kohlrausch–Williams–Watts stress relaxations in metallic glasses
Ishii Akio
Computational Materials Science Vol. 198 2021/07/02
Energetics of heterogeneous Mg {101¯2} deformation twinning migration using an atomistically informed phase-field model
Ishii Akio
Computational Materials Science Vol. 183 2020/07/10
加速分子動力学法の開発と応用-Adaptive Boost法(AB法)
石井 明男
Ensemble Vol. 19 No. 3 p. 151-157 2017/07/30
Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation
Ishii Akio, Li Ju, Ogata Shigenobu
International Journal of Plasticity Vol. 82 p. 32-43 2016/05/27
“Conjugate Channeling” Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron
Ishii Akio, Li Ju, Ogata Shigenobu
PLoS ONE Vol. 8 No. 4 2013/04/11
Adaptive-boost molecular dynamics simulation of carbon diffusion in iron
Ishii Akio, Ogata Shigenobu, Kimizuka Hajime, Li Ju
Physical Review B Vol. 85 No. 6 2012/02/21
時間拡張原子モデリング法による材料欠陥中における拡散現象に関する研究
石井 明男
