Deformation and boundary motion analysis of a faceted twin grain boundary

T.L. Dora, Sandeep Kumar Singh, Radha Raman Mishra, Eric R. Homer, Shigenobu Ogata, Akarsh Verma

International Journal of Mechanical Sciences　Vol. 269　p. 109044-109044　2024/05　Research paper (scientific journal)

Effect of nanoglass grain size investigated by a mesoscale variable characteristic strain model

Chih-Jen Yeh, Chang-Wei Huang, Yu-Chieh Lo, Shigenobu Ogata, Ding Yuan Li, Hsuan-Teh Hu, Jason Shian-Ching Jang

International Journal of Mechanical Sciences　Vol. 266　p. 108981-108981　2024/03　Research paper (scientific journal)

Highly efficient and transferable interatomic potentials for alpha-iron and alpha-iron/hydrogen binary systems using deep neural networks

Shihao Zhang, Fanshun Meng, Rong Fu, Shigenobu Ogata

Computational Materials Science　Vol. 235　p. 112843-112843　2024/02　Research paper (scientific journal)

Solute influence in transitions from non-Arrhenius to stick-slip Arrhenius grain boundary migration

Akarsh Verma, Oliver K. Johnson, Gregory B. Thompson, Shigenobu Ogata, Eric R. Homer

Acta Materialia　Vol. 265　p. 119605-119605　2024/02　Research paper (scientific journal)

Dual-plasmonic Au@Cu7S4 yolk@shell nanocrystals for photocatalytic hydrogen production across visible to near infrared spectral region

Chun-Wen Tsao, Sudhakar Narra, Jui-Cheng Kao, Yu-Chang Lin, Chun-Yi Chen, Yu-Cheng Chin, Ze-Jiung Huang, Wei-Hong Huang, Chih-Chia Huang, Chih-Wei Luo, Jyh-Pin Chou, Shigenobu Ogata, Masato Sone, Michael H. Huang, Tso-Fu Mark Chang, Yu-Chieh Lo, Yan-Gu Lin, Eric Wei-Guang Diau, Yung-Jung Hsu

Nature Communications　Vol. 15　No. 1　2024/01/09　Research paper (scientific journal)

Screening Selection of Hydrogen Evolution‐Inhibiting and Zincphilic Alloy Anode for Aqueous Zn Battery

Luyao Wang, Shaojie Zhou, Kai Yang, Weiwei Huang, Shigenobu Ogata, Lei Gao, Xiong Pu

Advanced Science　2024/01　Research paper (scientific journal)

Insights into factors that affect non-Arrhenius migration of a simulated incoherent Σ3 grain boundary

Akarsh Verma, Oliver K. Johnson, Gregory B. Thompson, Ian Chesser, Shigenobu Ogata, Eric R. Homer

Acta Materialia　Vol. 258　p. 119210-119210　2023/10　Research paper (scientific journal)

Direct Observation of Vacancy‐Cluster‐Mediated Hydride Nucleation and the Anomalous Precipitation Memory Effect in Zirconium

Si‐Mian Liu, Shi‐Hao Zhang, Shigenobu Ogata, Hui‐Long Yang, Sho Kano, Hiroaki Abe, Wei‐Zhong Han

Small　2023/09　Research paper (scientific journal)

Recent progressive developments in conductive-fillers based polymer nanocomposites (CFPNC's) and conducting polymeric nanocomposites (CPNC's) for multifaceted sensing applications

Shubham Sharma, Akarsh Verma, Sanjay Mavinkere Rangappa, Suchart Siengchin, Shigenobu Ogata

Journal of Materials Research and Technology　Vol. 26　p. 5921-5974　2023/09　Research paper (scientific journal)

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

Yan Li, Xufei Fang, Eita Tochigi, Yu Oshima, Sena Hoshino, Takazumi Tanaka, Hiroto Oguri, Shigenobu Ogata, Yuichi Ikuhara, Katsuyuki Matsunaga, Atsutomo Nakamura

Journal of Materials Science and Technology　Vol. 156　p. 206-216　2023/09　Research paper (scientific journal)

Asymmetry in core structure and mobility of basal dislocations in a Ti 3 SiC 2 MAX phase: An atomistic study with machine-learned force fields

Rana Hossain, Hajime Kimizuka, Shigenobu Ogata

Physical Review Materials　Vol. 7　No. 5　2023/05/17　Research paper (scientific journal)

Diffusion bonding of high entropy alloy and stainless steel at a relative lower temperature via surface nano-crystallization treatment

Haitao Gao, Guiqiang He, Qi Li, Yangen Li, Wei Hu, Shaojie Zhou, Fengmei Liu, Jianglong Yi, Yupeng Zhang, Zhihong Cai, Shigenobu Ogata, Lijie Qiao, Lei Gao

Journal of Materials Research and Technology　Vol. 24　p. 475-487　2023/05　Research paper (scientific journal)

Origin of the nucleation preference of coherent and semicoherent nanoprecipitates in Al–Cu alloys based on atomistically informed classical nucleation theory

Heting Liao, Hajime Kimizuka, Hiroshi Miyoshi, Shigenobu Ogata

Journal of Alloys and Compounds　Vol. 938　p. 168559-168559　2023/03　Research paper (scientific journal)

Chemical domain structure and its formation kinetics in CrCoNi medium-entropy alloy

Jun-Ping Du, Peijun Yu, Shuhei Shinzato, Fan-Shun Meng, Yuji Sato, Yangen Li, Yiwen Fan, Shigenobu Ogata

Acta Materialia　Vol. 240　p. 118314-118314　2022/11　Research paper (scientific journal)

Chemical ordering effect on the radiation resistance of a CoNiCrFeMn high-entropy alloy

Yangen Li, Jun-Ping Du, Peijun Yu, Rui Li, Shuhei Shinzato, Qing Peng, Shigenobu Ogata

Computational Materials Science　Vol. 214　p. 111764-111764　2022/11　Research paper (scientific journal)

Rediscovery of Hall-Petch strengthening in bulk ultrafine grained pure Mg at cryogenic temperature: A combined in-situ neutron diffraction and electron microscopy study

Ruixiao Zheng, Wu Gong, Jun-ping Du, Si Gao, Maowen Liu, Guodong Li, Takuro Kawasaki, Stefanus Harjo, Chaoli Ma, Shigenobu Ogata, Nobuhiro Tsuji

Acta Materialia　Vol. 238　p. 118243-118243　2022/10　Research paper (scientific journal)

Ultralong one-dimensional plastic zone created in aluminum underneath a nanoscale indent

Zhi-Yu Nie, Yuji Sato, Shigenobu Ogata, Maria Jazmin Duarte, Gerhard Dehm, Ju Li, Evan Ma, De-Gang Xie, Zhi-Wei Shan

Acta Materialia　Vol. 232　p. 117944-117944　2022/06　Research paper (scientific journal)

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　Research paper (scientific journal)

Theory of history-dependent multi-layer generalized stacking fault energy— A modeling of the micro-substructure evolution kinetics in chemically ordered medium-entropyalloys

Peijun Yu, Jun-Ping Du, Shuhei Shinzato, Fan-Shun Meng, Shigenobu Ogata

Acta Materialia　Vol. 224　p. 117504-117504　2022/02　Research paper (scientific journal)

Dislocation‐Mediated Hydride Precipitation in Zirconium

Si‐Mian Liu, Akio Ishii, Shao‐Bo Mi, Shigenobu Ogata, Ju Li, Wei‐Zhong Han

Small　p. 2105881-2105881　2022　Research paper (scientific journal)

General-purpose neural network interatomic potential for the α-iron and hydrogen binary system: Toward atomic-scale understanding of hydrogen embrittlement

Fan-Shun Meng, Jun-Ping Du, Shuhei Shinzato, Hideki Mori, Peijun Yu, Kazuki Matsubara, Nobuyuki Ishikawa, Shigenobu Ogata

Physical Review Materials　Vol. 5　No. 11　p. 113606-113606　2021/11　Research paper (scientific journal)

Experimental molecular dynamics for individual atomic-scale plastic events in nanoscale crystals

Sixue Zheng, Shuhei Shinzato, Shigenobu Ogata, Scott Mao

Journal of the Mechanics and Physics of Solids　p. 104687-104687　2021/10　Research paper (scientific journal)

Atomistic processes of surface-diffusion-induced abnormal softening in nanoscale metallic crystals

Xiang Wang, Sixue Zheng, Shuhei Shinzato, Zhengwu Fang, Yang He, Li Zhong, Chongmin Wang, Shigenobu Ogata, Scott X. Mao

Nature Communications　Vol. 12　No. 1　p. 5237-1-5237-9　2021/09　Research paper (scientific journal)

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　p. 025310-1-025310-15　2021/08/25　Research paper (scientific journal)

Hydrogen Effects on the Migration of Nanoscale Cavities in Iron

Kazuto Arakawa, Akira Kageyama, Hideto Hiroshima, Hidehiro Yasuda, Shigenobu Ogata

ISIJ International　Vol. 61　No. 8　p. 2305-2307　2021/06

Kinetic Monte Carlo simulation framework for chemical short-range order formation kinetics in a multi-principal-element alloy

Zeqi Shen, Jun-Ping Du, Shuhei Shinzato, Yuji Sato, Peijun Yu, Shigenobu Ogata

Computational Materials Science　Vol. 198　p. 110670-110670　2021/06　Research paper (scientific journal)

Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys

Yong-Jie Hu, Aditya Sundar, Shigenobu Ogata, Liang Qi

Acta Materialia　p. 116800-116800　2021/05　Research paper (scientific journal)

Highly pressurized helium nanobubbles promote stacking-fault-mediated deformation in FeNiCoCr high-entropy alloy

W.T. Lin, D. Chen, C.Q. Dang, P.J. Yu, G. Wang, J.H. Lin, F.L. Meng, T. Yang, Y.L. Zhao, S.F. Liu, J.P. Du, G.M. Yeli, C.T. Liu, Y. Lu, S. Ogata, J.J. Kai

Acta Materialia　Vol. 210　p. 116843-116843　2021/05　Research paper (scientific journal)

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　p. 4503-1-4503-11　2021/02　Research paper (scientific journal)

Anharmonic effect on the thermally activated migration of {101̄2} twin interfaces in magnesium

Yuji Sato, Thomas Swinburne, Shigenobu Ogata, David Rodney

Materials Research Letters　Vol. 9　No. 5　p. 231-238　2021/01　Research paper (scientific journal)

Unique universal scaling in nanoindentation pop-ins

Yuji Sato, Shuhei Shinzato, Takahito Ohmura, Takahiro Hatano, Shigenobu Ogata

Nature Communications　Vol. 11　No. 1　2020/12　Research paper (scientific journal)

Transition of dominant deformation mode in bulk polycrystalline pure Mg by ultra-grain refinement down to sub-micrometer

Ruixiao Zheng, Jun-Ping Du, Si Gao, Hidetoshi Somekawa, Shigenobu Ogata, Nobuhiro Tsuji

Acta Materialia　Vol. 198　p. 35-46　2020/10　Research paper (scientific journal)

Hydrogen-Enhanced Vacancy Diffusion in Metals

Jun-Ping Du, W. T. Geng, Kazuto Arakawa, Ju Li, Shigenobu Ogata

The Journal of Physical Chemistry Letters　Vol. 11　p. 7015-7020　2020/08/13　Research paper (scientific journal)

Strategy for managing both high strength and large ductility in structural materials–sequential nucleation of different deformation modes based on a concept of plaston

Nobuhiro Tsuji, Shigenobu Ogata, Haruyuki Inui, Isao Tanaka, Kyosuke Kishida, Si Gao, Wenqi Mao, Yu Bai, Ruixiao Zheng, Jun-Ping Du

Scripta Materialia　Vol. 181　p. 35-42　2020/05　Research paper (scientific journal)

An Atomistic Modeling Study of the Relationship between Critical Resolved Shear Stress and Atomic Structure Distortion in FCC High Entropy Alloys — Relationship in Random Solid Solution and Chemical-Short-Range-Order Alloys —

Md. Lokman Ali, Shuhei Shinzato, Vei Wang, Zeqi Shen, Jun-ping Du, Shigenobu Ogata

MATERIALS TRANSACTIONS　Vol. 61　No. 4　p. 605-609　2020/04/01　Research paper (scientific journal)

Phase transformation assisted twinning in a face-centered-cubic FeCrNiCoAl high entropy alloy

Peijun Yu, Rui Feng, Junping Du, Shuhei Shinzato, Jyh-Pin Chou, Bilin Chen, Yu-Chieh Lo, Peter K. Liaw, Shigenobu Ogata, Alice Hu

Acta Materialia　Vol. 181　p. 491-500　2019/12　Research paper (scientific journal)

An atomistically informed kinetic Monte Carlo model for predicting solid solution strengthening of body-centered cubic alloys

Shuhei Shinzato, Masato Wakeda, Shigenobu Ogata

International Journal of Plasticity　Vol. 122　p. 319-337　2019/11

Controlled growth of single-crystalline metal nanowires via thermomigration across a nanoscale junction

De-Gang Xie, Zhi-Yu Nie, Shuhei Shinzato, Yue-Qing Yang, Feng-Xian Liu, Shigenobu Ogata, Ju Li, Evan Ma, Zhi-Wei Shan

Nature Communications　Vol. 10　p. 4478-1-4478-8　2019/10

Temperature-dependent nucleation kinetics of Guinier-Preston zones in Al-Cu alloys: An atomistic kinetic Monte Carlo and classical nucleation theory approach

Hiroshi Miyoshi, Hajime Kimizuka, Akio Ishii, Shigenobu Ogata

Acta Materialia　Vol. 179　p. 262-272　2019/08

Atomistic prediction of the temperature- and loading-rate-dependent first pop-in load in nanoindentation

Yuji Sato, Shuhei Shinzato, Takahito Ohmura, Shigenobu Ogata

International Journal of Plasticity　Vol. 121　p. 280-292　2019/06

Mechanism of Hardening and Damage Initiation in Oxygen Embrittlement of Body-Centred-Cubic Niobium

Ping-Jiong Yang, Qing-Jie Li, Tomohito Tsuru, Shigenobu Ogata, Jie-Wen Zhang, Hong-Wei Sheng, Zhi-Wei Shan, Gang Sha, Wei-Zhong Han, Ju Li, Evan Ma

Acta Materialia　Vol. 168　p. 331-342　2019/04

Origin of serrated flow in bulk metallic glasses

Xie Xie, Yu-Chieh Lo, Yang Tong, Junwei Qiao, Gongyao Wang, Shigenobu Ogata, Hairong Qi, Karin A. Dahmen, Yanfei Gao, Peter K. Liaw

Journal of the Mechanics and Physics of Solids　Vol. 124　p. 634-642　2019/03

Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron

Liang Wan, W.T. Geng, Akio Ishii, Jun-Ping Du, Qingsong Mei, Nobuyuki Ishikawa, Hajime Kimizuka, Shigenobu Ogata

International Journal of Plasticify　Vol. 112　p. 206-219　2019/01

A free energy landscape perspective on the nature of collective diffusion in amorphous solids

Yun-Jiang Wang, Jun-Ping Du, Shuhei Shinzato, Lan-Hong Dai, Shigenobu Ogata

Acta Materialia　Vol. 157　p. 165-173　2018/09

Hydrogen trapping in carbon supersaturated α‑iron and its decohesion effect in martensitic steel

W. T. Geng, Vei Wang, Jin-Xu Li, Nobuyuki Ishikawa, Hajime Kimizuka, Kaneaki Tsuzaki, Shigenobu Ogata

Scripta Materialia　Vol. 149　p. 79-83　2018/05/01　Research paper (scientific journal)

Mechanical properties of Fe-rich Si alloy from Hamiltonian

Tetsuo Mohri, Ying Chen, Masanori Kohyama, Shigenobu Ogata, Arkapol Saengdeejing, Somesh Kumar Bhattacharya, Masato Wakeda, Shuhei Shinzato, Hajime Kimizuka

npj Computational Materials　Vol. 3　No. 1　p. 10-1-10-14　2017/12/01　Research paper (scientific journal)

Chemical misfit origin of solute strengthening in iron alloys

Masato Wakeda, Tomohito Tsuru, Masanori Kohyama, Taisuke Ozaki, Hideaki Sawada, Mitsuhiro Itakura, Shigenobu Ogata

ACTA MATERIALIA　Vol. 131　No. 1　p. 445-456　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)

Mechanism transition and strong temperature dependence of dislocation nucleation from grain boundaries: An accelerated molecular dynamics study

Jun-Ping Du, Yun-Jiang Wang, Yu-Chieh Lo, Liang Wan, Shigenobu Ogata

PHYSICAL REVIEW B　Vol. 94　No. 10　p. 104110-104110-8　2016/09　Research paper (scientific journal)

Radiation-Induced Helium Nanobubbles Enhance Ductility in Submicron-Sized Single-Crystalline Copper

Ming-Shuai Ding, Jun-Ping Du, Liang Wan, Shigenobu Ogata, Lin Tian, Evan Ma, Wei-Zhong Han, Ju Li, Zhi-Wei Shan

NANO LETTERS　Vol. 16　No. 7　p. 4118-4124　2016/07　Research paper (scientific journal)

Shuffling-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　No. 7　p. 32-43　2016/07　Research paper (scientific journal)

Prediction of pressure-promoted thermal rejuvenation in metallic glasses

Narumasa Miyazaki, Masato Wakeda, Yun-Jiang Wang, Shigenobu Ogata

npj Computational Materials　Vol. 2　p. 16013-1-16013-9　2016/06/24　Research paper (scientific journal)

From "Smaller is Stronger" to "Size-Independent Strength Plateau": Towards Measuring the Ideal Strength of Iron

Wei-Zhong Han, Ling Huang, Shigenobu Ogata, Hajime Kimizuka, Zhao-Chun Yang, Christopher Weinberger, Qing-Jie Li, Bo-Yu Liu, Xi-Xiang Zhang, Ju Li, Evan Ma, Zhi-Wei Shan

ADVANCED MATERIALS　Vol. 27　No. 22　p. 3385-3390　2015/06　Research paper (scientific journal)

Controlled Rejuvenation of Amorphous Metals with Thermal Processing

Masato Wakeda, Junji Saida, Ju Li, Shigenobu Ogata

SCIENTIFIC REPORTS　Vol. 5　2015/05　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　p. e60586-1-e60586-7　2013/04　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)

Slow diffusion of hydrogen at a screw dislocation core in alpha-iron

Hajime Kimizuka, Shigenobu Ogata

PHYSICAL REVIEW B　Vol. 84　No. 2　2011/07　Research paper (scientific journal)

Mechanics of Ultra-Strength Materials

Ting Zhu, Ju Li, Shigenobu Ogata, Sidney Yip

MRS BULLETIN　Vol. 34　No. 3　p. 167-172　2009/03　Research paper (scientific journal)

Theory of shear banding in metallic glasses and molecular dynamics calculations

Futoshi Shimizu, Shigenobu Ogata, Ju Li

MATERIALS TRANSACTIONS　Vol. 48　No. 11　p. 2923-2927　2007/11　Research paper (scientific journal)

Energetics of plastic bending of carbon nanotubes

Hideki Mori, Shigenobu Ogata, Ju Li, Seiji Akita, Yoshikazu Nakayama

PHYSICAL REVIEW B　Vol. 74　No. 16　2006/10　Research paper (scientific journal)

Yield point of metallic glass

Futoshi Shimizu, Shigenobu Ogata, Ju Li

ACTA MATERIALIA　Vol. 54　No. 16　p. 4293-4298　2006/09　Research paper (scientific journal)

Atomistic simulation of shear localization in Cu-Zr bulk metallic glass

S Ogata, F Shimizu, J Li, M Wakeda, Y Shibutani

INTERMETALLICS　Vol. 14　No. 8-9　p. 1033-1037　2006/08　Research paper (scientific journal)

Energy landscape of deformation twinning in bcc and fcc metals

S Ogata, J Li, S Yip

PHYSICAL REVIEW B　Vol. 71　No. 22　2005/06　Research paper (scientific journal)

Ideal shear strain of metals and ceramics

S Ogata, J Li, N Hirosaki, Y Shibutani, S Yip

PHYSICAL REVIEW B　Vol. 70　No. 10　2004/09　Research paper (scientific journal)

Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper

T Zhu, J Li, KJ Van Vliet, S Ogata, S Yip, S Suresh

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS　Vol. 52　No. 3　p. 691-724　2004/03　Research paper (scientific journal)

Ideal tensile strength and band gap of single-walled carbon nanotubes

S Ogata, Y Shibutani

PHYSICAL REVIEW B　Vol. 68　No. 16　2003/10　Research paper (scientific journal)

Ideal pure shear strength of aluminum and copper

S Ogata, J Li, S Yip

SCIENCE　Vol. 298　No. 5594　p. 807-811　2002/10　Research paper (scientific journal)

Kinked basal dislocation loops for anomalous annealing hardening in irradiated zirconium

Si-Mian Liu, Shi-Hao Zhang, Hiroaki Abe, Shigenobu Ogata, Wei-Zhong Han

Acta Materialia　p. 121366-121366　2025/07　Research paper (scientific journal)

Temperature and loading-rate dependent critical stress intensity factor of dislocation nucleation from crack tip: Atomistic insights into cracking at slant twin boundaries in nano-twinned TiAl alloys

Rong Fu, Zhiyuan Rui, Jun-Ping Du, Shihao Zhang, Fan-Shun Meng, Shigenobu Ogata

Journal of Materials Science & Technology　Vol. 222　p. 290-303　2025/07　Research paper (scientific journal)

Insights into a new overclustering technique using machine learning for a self-selecting bin-restricted colour sorting setup for light red meranti (Rubroshorea spp.)

Chiat Oon Tan, Shigenobu Ogata, Hwa Jen Yap, Ichiro Nakamoto, Zuriani Usop, Mohd'Akashah Fauthan, Shaer Jin Liew, Siew-Cheok Ng

European Journal of Wood and Wood Products　Vol. 83　No. 131　2025/06

‘Tracheid effect’ light scattering response of common commercial species of Malaysia using red laser (650 nm) for grain angle detection, and machine learning based performance prediction

Chiat Oon Tan, Shigenobu Ogata, Hwa Jen Yap, Jin Xue Soo, Zuriani Usop, Mohd ’Akashah Fauthan, Shaer Jin Liew, Siew-Cheok Ng

Wood Science and Technology　Vol. 59　No. 4　2025/05/07　Research paper (scientific journal)

Extraordinary hardening-by-annealing in bulk ultrafine grained magnesium with ultra-low yttrium addition

Ruixiao Zheng, Maowen Liu, Junping Du, Hongbo Xie, Wu Gong, Yangyang Cheng, Shigenobu Ogata, Nobuhiro Tsuji

Acta Materialia　Vol. 293　p. 121098-121098　2025/05　Research paper (scientific journal)

Unveiling kink band formation mechanism in MAX phases

Rana Hossain, Shigenobu Ogata

Communications Materials　Vol. 6　No. 1　2025/03/20　Research paper (scientific journal)

Ab initio path-integral simulations of hydrogen-isotope diffusion in face-centred cubic metals

Hajime Kimizuka, Shigenobu Ogata, Bo Thomsen, Motoyuki Shiga

Journal of Physics: Condensed Matter　Vol. 37　2025/03/13　Research paper (scientific journal)

Formation of three-dimensional dislocation networks in α-iron twist grain boundaries: Insights from first-principles neural network interatomic potentials

Fan-Shun Meng, Jiu-Hui Li, Shuhei Shinzato, Kazuki Matsubara, Wen-Tong Geng, Shigenobu Ogata

Computational Materials Science　Vol. 253　p. 113812-113812　2025/03　Research paper (scientific journal)

Recent trends and progress in molecular dynamics simulations of 2D materials for tribological applications: An extensive review

Kamal Kumar, Jiaqin Xu, Gang Wu, Akarsh Verma, Abhishek Kumar Mishra, Lei Gao, Shigenobu Ogata

Archives of Computational Methods in Engineering　2025/03

Atomistic simulation of Guinier–Preston zone nucleation kinetics in Al–Cu alloys: A neural network-driven kinetic Monte Carlo approach

Heting Liao, Jun-Ping Du, Hajime Kimizuka, Shigenobu Ogata

Computational Materials Science　Vol. 251　p. 113771-113771　2025/03　Research paper (scientific journal)

Dislocation plasticity in c$c$‐axis nanopillar compression of wurtzite ceramics: A study using neural network potentials

Shihao Zhang, Shigenobu Ogata

Journal of the American Ceramic Society　Vol. e20406　p. 1-11　2025/02/04　Research paper (scientific journal)

Machine learning based density estimation of light red meranti (Shorea spp.): a segmented approach to multiple regression of self-organising maps colour clusters using custom made ‘KayuSort’ colour sorting software

Chiat Oon Tan, Ogata Shigenobu, Siew-Cheok Ng, Hwa Jen Yap, Zuriani Usop, Mohd ’Akashah Fauthan, Khairuddin Mahalil, Shaer Jin Liew

European Journal of Wood and Wood Products　Vol. 83　No. 1　2025/01/05　Research paper (scientific journal)

Structural superlubricity and dislocation bending behaviors of NiCoCr medium-entropy alloys with incommensurate contact

Wenyue Li, Jie Zhang, Shigenobu Ogata, Lei Gao, Xiongjun Liu, Zhaoping Lu

Scripta Materialia　Vol. 259　p. 116570-116570　2025/01　Research paper (scientific journal)

A highly transferable and efficient machine learning interatomic potentials study of alpha-Fe–C binary system

Fan-Shun Meng, Shuhei Shinzato, Shihao Zhang, Kazuki Matsubara, Jun-Ping Du, Peijun Yu, Wen-Tong Geng, Shigenobu Ogata

Acta Materialia　Vol. 281　p. 120408-120408　2024/12　Research paper (scientific journal)

Neural network potential for dislocation plasticity in ceramics

Shihao Zhang, Yan Li, Shuntaro Suzuki, Atsutomo Nakamura, Shigenobu Ogata

npj Computational Materials　Vol. 10　No. 1　2024/11/22　Research paper (scientific journal)

Hydrogen and vacancy concentrations in α-iron under high hydrogen gas pressure and external stress: A first-principles neural network simulation study

Shihao Zhang, Shihao Zhu, Fanshun Meng, Shigenobu Ogata

International Journal of Hydrogen Energy　Vol. 90　p. 246-256　2024/11　Research paper (scientific journal)

Disconnection units of twinning in body-centered-cubic metals

Gaobing Wei, Hongxian Xie, Jun-Ping Du, Tingting He, Guanghong Lu, Shigenobu Ogata

Acta Materialia　Vol. 280　p. 120325-120325　2024/11　Research paper (scientific journal)

Transitioning of deformation mode in bicrystalline Al-Mg alloy with Σ3 [1 1 1] 60° {11 8 5} faceted grain boundary

Akarsh Verma, Sandeep Kumar Singh, Shigenobu Ogata

Materials Letters　Vol. 375　p. 137232-137232　2024/11　Research paper (scientific journal)

A new criterion for formation capability of annealing twin in face-centered cubic metals/alloys

Hongxian Xie, Tingting He, Gaobing Wei, Wei Fang, Shigenobu Ogata, Guang-Hong Lu

Acta Materialia　Vol. 278　p. 120245-120245　2024/10　Research paper (scientific journal)

Atomistic modeling of nucleation kinetics of Guinier–Preston zones in Al–Cu alloys: Two formation scenarios and prediction of the time-temperature-transformation diagram

Heting Liao, Hajime Kimizuka, Hiroshi Miyoshi, Shigenobu Ogata

Computational Materials Science　Vol. 242　p. 113069-113069　2024/04　Research paper (scientific journal)

Atomistic simulations of the frictional properties of 2D materials: a review

Gang Wu, Shigenobu Ogata, Lei Gao

Journal of Physics D: Applied Physics　Vol. 57　No. 29　p. 293001-293001　2024/04　Research paper (scientific journal)

Off-center positioning of helium in a vacancy in metals

J.L. Cao, W.Q. Xie, J.B. Lin, X.F. He, V. Wang, Shigenobu Ogata, W.T. Geng

Journal of Nuclear Materials　Vol. 592　p. 154965-154965　2024/04　Research paper (scientific journal)

First-principles analysis of the effects of oxygen, vacancies, and their complexes on the screw dislocation motion in body-centered cubic Nb

Tomohito Tsuru, Ivan Lobzenko, Shigenobu Ogata, Wei-Zhong Han

Journal of Materials Research and Technology　Vol. 28　p. 1013-1021　2024/01　Research paper (scientific journal)

Friedel Oscillations Induce Hydrogen Accumulation near the Σ 3 (111) Twin Boundaries in γ‐Fe

YiFan Li, JianBo Lin, JinXu Li, Shigenobu Ogata, WenTong Geng

steel research international　p. 2200324-2200324　2022/08/17　Research paper (scientific journal)

Core structure and Peierls barrier of basal edge dislocations in Ti3A1C2 MAX phase

Rana Hossain, Hajime Kimizuka, Yoshinori Shiihara, Shigenobu Ogata

Computational Materials Science　Vol. 209　p. 111366-111366　2022/06　Research paper (scientific journal)

Spin Polarization of Mn Could Enhance Grain Boundary Sliding in Mg

Vei Wang, Jun-Ping Du, Hidetoshi Somekawa, Shigenobu Ogata, Wen Tong Geng

Materials　Vol. 15　No. 10　p. 3483-3483　2022/05/12　Research paper (scientific journal)

Driving force of zero-macroscopic-strain deformation twinning in face-centred-cubic metals

Hongxian Xie, Gaobing Wei, Yuanfang Lu, Junping Du, Fuxing Yin, Guang-Hong Lu, Shigenobu Ogata

Philosophical Magazine　Vol. 101　No. 21　p. 2318-2330　2021/09/02　Research paper (scientific journal)

First-principles adaptive-boost accelerated molecular dynamics simulation with effective boost potential construction methods: a study of Li diffusion in Si crystal

Masahiro Yamamoto, Akio Ishii, Shuhei Shinzato, Shigenobu Ogata, Taisuke Ozaki

Japanese Journal of Applied Physics　Vol. 59　No. 12　2020/11　Research paper (scientific journal)

Electronic origin of grain boundary segregation of Al, Si, P, and S in bcc-Fe: Combined analysis of ab initio local energy and crystal orbital Hamilton population

Kazuma Ito, Hideaki Sawada, Shingo Tanaka, Shigenobu Ogata, Masanori Kohyama

Modelling and Simulation in Materials Science and Engineering　Vol. 29　No. 1　2020/11　Research paper (scientific journal)

Reduction of dislocation, mean free path, and migration barriers using high entropy alloy: insights from the atomistic study of irradiation damage of CoNiCrFeMn

Yangen Li, Rui Li, Qing Peng, Shigenobu Ogata

Nanotechnology　Vol. 31　No. 42　p. 425701-425701　2020/10/16　Research paper (scientific journal)

Theoretical Prediction of Grain Boundary Segregation Using Nano-Polycrystalline Grain Boundary Model

Kazuma Ito, Hideaki Sawada, Shigenobu Ogata

Journal of the Japan Institute of Metals and Materials　Vol. 84　No. 7　p. 237-243　2020/07/01　Research paper (scientific journal)

Synergistic effect of lattice strain and Co doping on enhancing thermal stability in Fe16N2 thin film with high magnetization

Lei Wang, Chun Feng, Mi-Dan Cao, Fei Meng, Yu-Kun Li, Jian-Juan Yin, Bao-He Li, Shigenobu Ogata, Wen-Tong Geng, Guang-Hua Yu

Journal of Magnetism and Magnetic Materials　Vol. 495　p. 165873-165873　2020/02　Research paper (scientific journal)

Anomalous solution softening by unique energy balance mediated by kink mechanism in tungsten-rhenium alloys

Tomohito Tsuru, Masato Wakeda, Tomoaki Suzudo, Mitsuhiro Itakura, Shigenobu Ogata

Journal of Applied Physics　Vol. 127　p. 025101-0-025101-9　2020/01　Research paper (scientific journal)

Structural relaxation affecting shear-transformation avalanches in metallic glasses

Tomoaki Niiyama, Masato Wakeda, Tomotsugu Shimokawa, Shigenobu Ogata

Physical Review E　Vol. 100　p. 043002-1-043002-10　2019/10

Unraveling anomalous isotope effect on hydrogen diffusivities in fcc metals from first principles including nuclear quantum effects

Hajime Kimizuka, Shigenobu Ogata, Motoyuki Shiga

PHYSICAL REVIEW B　Vol. 100　No. 2　p. 024104-1-024104-9　2019/07

Atomistic insights on the influence of pre-oxide shell layer and size on the compressive mechanical properties of nickel nanowires

Gurcan Aral, Md Mahbubul Islam, Yun-Jiang Wang, Shigenobu Ogata, Adri C. T, van Duin

Journal of Applied Physics　Vol. 125　p. 165102-1-165102-13　2019/04

Understanding the Local Flow Rate Peak of a Hopper Discharging Discs through an Obstacle Using a Tetris-like Model

Guo-Jie Jason Gao, Jerzy Blawzdziewicz, Michael C. Holcomb, Shigenobu Ogata

Granular Matter　Vol. 21　p. 25-1-10　2019/01

Incorporating a soft ordered phase into an amorphous configuration enhances its uniform plastic deformation under shear

Guo-Jie Jason Gao, Yun-Jiang,Wang, Shigenobu Ogata

AIP Advances　Vol. 9　No. 1　2019/01

First-principles study on the grain boundary embrittlement of bcc-Fe by Mn segregation

Kazuma Ito, Hideaki Sawada, Shigenobu Ogata

Physical Review Materials　Vol. 3　2019/01

Effect of Grain Size on Mechanical Properties of Mg-0.3at.%Y Dilute Alloy

Ruixiao Zheng, Ichiro Kawarada, Wu Gong, Akinobu Shibata, Hidetoshi Somekawa, Shigenobu Ogata, Nobuhiro Tsuji

THERMEC 2018: 10TH INTERNATIONAL CONFERENCE ON PROCESSING AND MANUFACTURING OF ADVANCED MATERIALS　Vol. 941　p. 790-795　2018/12　Research paper (scientific journal)

Oxyhydroxide of metallic nanowires in a molecular H2O and H2O2 environment and their effects on mechanical properties

Gurcan Aral, Md Mahbubul Islam, Yun-Jiang Wang, Shigenobu Ogata, Adri C. T, van Duin

Physical Chemistry Chemical Physics　Vol. 20　p. 17289-17303　2018/06

Study of interstitial atom diffusion in nanowire using diffusion equation driven by chemo-mechanical potential

Shuhei Shinzato, Ei Kasuya, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 67　No. 2　p. 263-268　2018/02/01　Research paper (scientific journal)

First-principles analysis on adsorption and bonding of 3-aminopropyltrimethoxysilane on silica substrate

Kenta Okada, Hajime Kimizuka, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 67　No. 2　p. 229-234　2018/02/01　Research paper (scientific journal)

Mechanism of fast lattice diffusion of hydrogen in palladium: Interplay of quantum fluctuations and lattice strain

Hajime Kimizuka, Shigenobu Ogata, Motoyuki Shiga

Physical Review B　Vol. 97　No. 1　p. 014102-1-014102-11　2018/01/10　Research paper (scientific journal)

Construction of FeN alloy films with ultra-strong magnetism and tunable magnetic anisotropy for spintronic application

Chun Feng, Jianjuan Yin, Jian-Gang Niu, Qinghua Zhang, Lin Gu, Feng Yang, Xiaolei Tang, Longxiang Xu, Kui Gong, Yi Cao, Meiyin Yang, Xiaopeng Cui, Shigenobu Ogata, Wen-Tong Geng, Guanghua Yu

JOURNAL OF ALLOYS AND COMPOUNDS　Vol. 725　p. 32-40　2017/11　Research paper (scientific journal)

Predictive modeling of Time-Temperature-Transformation diagram of metallic glasses based on atomistically-informed classical nucleation theory

Yuji Sato, Chiaki Nakai, Masato Wakeda, Shigenobu Ogata

SCIENTIFIC REPORTS　Vol. 7　2017/08　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)

Mechanical Properties and Deformation Mechanism of Mg-Y Alloy with Various Grain Sizes

Ichiro Kawarada, Ruixiao Zheng, Akinobu Shibata, Hidetoshi Somekawa, Shigenobu Ogata, Nobuhiro Tsuji

MAGNESIUM TECHNOLOGY 2017　p. 283-287　2017/02　Research paper (international conference proceedings)

Thermal rejuvenation in metallic glasses

Junji Saida, Rui Yamada, Masato Wakeda, Shigenobu Ogata

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS　Vol. 18　No. 1　p. 152-162　2017/02　Research paper (scientific journal)

Effects of oxidation on tensile deformation of iron nanowires: Insights from reactive molecular dynamics simulations

Gurcan Aral, Yun-Jiang Wang, Shigenobu Ogata, Adri C. T. van Duin

JOURNAL OF APPLIED PHYSICS　Vol. 120　No. 13　p. 135104-1-135104-14　2016/10　Research paper (scientific journal)

Ton-scale metal–carbon nanotube composite: The mechanism of strengthening while retaining tensile ductility

Kang Pyo So, Xiaohui Liu, Hideki Mori, Akihiro Kushima, Jong Gil Park, Hyoung Seop Kim, Shigenobu Ogata, Young Hee Lee, Ju Li

Extreme Mechanics Letters　Vol. 8　p. 245-250　2016/09/01　Research paper (scientific journal)

Formation of {1 1 (2)over-bar 1} twins from I-1-type stacking faults in Mg: A molecular dynamics study

Kazuki Matsubara, Hajime Kimizuka, Shigenobu Ogata

COMPUTATIONAL MATERIALS SCIENCE　Vol. 122　p. 314-321　2016/09　Research paper (scientific journal)

Time-, stress-, and temperature-dependent deformation in nanostructured copper: Creep tests and simulations

Xu-Sheng Yang, Yun-Jiang Wang, Hui-Ru Zhai, Guo-Yong Wang, Yan-Jing Su, L. H. Dai, Shigenobu Ogata, Tong-Yi Zhang

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS　Vol. 94　p. 191-206　2016/09　Research paper (scientific journal)

Properties of high-density, well-ordered, and high-energy metallic glass phase designed by pressurized quenching

Narumasa Miyazaki, Yu-Chieh Lo, Masato Wakeda, Shigenobu Ogata

APPLIED PHYSICS LETTERS　Vol. 109　No. 9　p. 091906-1-091906-5　2016/08　Research paper (scientific journal)

Controlling Factors for the Formation of Guinier-Preston Zones in Al-Cu Alloys: An Atomistic Study

Yushi Nakagami, Hajime Kimizuka, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 80　No. 9　p. 575-584　2016/07　Research paper (scientific journal)

Theoretical Prediction of Macroscopic Yield Strength for Fe Alloy Based on Atomistic Study

Shuhei Shinzato, Masato Wakeda, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 80　No. 3　p. 197-205　2016/03　Research paper (scientific journal)

Long-range intercluster interactions of solute nanoprecipitates in Mg-Y alloys: A first-principles study

Kazuki Matsubara, Hajime Kimizuka, Shigenobu Ogata

JOURNAL OF ALLOYS AND COMPOUNDS　Vol. 657　p. 662-670　2016/02　Research paper (scientific journal)

Universal enthalpy-entropy compensation rule for the deformation of metallic glasses

Yun-Jiang Wang, Meng Zhang, Lin Liu, Shigenobu Ogata, L. H. Dai

PHYSICAL REVIEW B　Vol. 92　No. 17　p. 174118-1-174118-7　2015/11　Research paper (scientific journal)

Atomistic study on medium-range order structures in amorphous metals

Masato Wakeda, Yoji Shibutani, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 64　No. 3　p. 156-162　2015/03/01　Research paper (scientific journal)

Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg-RE-M) alloys

Marco Fronzi, Hajime Kimizuka, Shigenobu Ogata

COMPUTATIONAL MATERIALS SCIENCE　Vol. 98　p. 76-82　2015/02　Research paper (scientific journal)

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

Hajime Kimizuka, Shu Kurokawa, Akihiro Yamaguchi, Akira Sakai, Shigenobu Ogata

SCIENTIFIC REPORTS　Vol. 4　2014/12　Research paper (scientific journal)

Diffusion Dynamics of Hydrogen and Carbon in Iron

Shigenobu Ogata

Tertsu-to-Hagane　Vol. 19　No. 11　p. 745-750　2014/11

Impact toughness of 0.3 mass % carbon tempered martensitic steels evaluated by instrumented Charpy test

Shigeto Takebayashi, Kohsaku Ushioda, Naoki Yoshinaga, Shigenobu Ogata

Materials Science Forum　Vol. 783-786　p. 1033-1038　2014/05　Research paper (scientific journal)

First-Principles analysis of thermal expansion behavior of Mg based on the Quasi-Harmonic approximation considering structural anisotropy

Kazuki Matsubara, Hajime Kimizuka, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 63　No. 2　p. 188-193　2014/02　Research paper (scientific journal)

Studying the elastic properties of nanocrystalline copper using a model of randomly packed uniform grains

Guo-Jie J. Gao, Yun-Jiang Wang, Shigenobu Ogata

COMPUTATIONAL MATERIALS SCIENCE　Vol. 79　No. 1　p. 56-62　2013/11　Research paper (scientific journal)

Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

Hajime Kimizuka, Marco Fronzi, Shigenobu Ogata

SCRIPTA MATERIALIA　Vol. 69　No. 8　p. 594-597　2013/10　Research paper (scientific journal)

Atomistic Study of Interaction between Screw Dislocation and Si Atom in Fe-Si Alloy

Masato Wakeda, Hajime Kimizuka, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 77　No. 10　p. 409-414　2013/10　Research paper (scientific journal)

Atomistic understanding of diffusion kinetics in nanocrystals from molecular dynamics simulations

Yun-Jiang Wang, Guo-Jie J. Gao, Shigenobu Ogata

Physical Review B - Condensed Matter and Materials Physics　Vol. 88　No. 11　2013/09/09　Research paper (scientific journal)

Predicting atomic arrangement of solute clusters in dilute Mg Alloys

Hajime Kimizuka, Shigenobu Ogata

Materials Research Letters　Vol. 1　No. 4　p. 213-219　2013/09　Research paper (scientific journal)

Effect of Carbide Size Distribution on the Impact Toughness of Tempered Martensitic Steels with Two Different Prior Austenite Grain Sizes Evaluated by Instrumented Charpy Test

Shigeto Takebayashi, Kohsaku Ushioda, Naoki Yoshinaga, Shigenobu Ogata

MATERIALS TRANSACTIONS　Vol. 54　No. 7　p. 1110-1119　2013/07　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　2013/05　Research paper (scientific journal)

Temperature dependence of viscosity in supercooled liquid of Cu-Zr bulk metallic glass by molecular dynamics

Narumasa Miyazaki, Masato Wakeda, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 62　No. 3　p. 172-178　2013/03　Research paper (scientific journal)

Size-dependent transition of deformation mechanism, and nonlinear elasticity in Ni3Al nanowires

Yun-Jiang Wang, Guo-Jie J. Gao, Shigenobu Ogata

Applied Physics Letters　Vol. 102　No. 4　p. 041902-1-041902-5　2013/01/28　Research paper (scientific journal)

Prediction of mechanical properties of materials from first-principles

Shigenobu Ogata

Nihon Kikai Gakkai Ronbunshu, A Hen/Transactions of the Japan Society of Mechanical Engineers, Part A　Vol. 78　No. 791　p. 934-944　2012/07

Multi-replica molecular dynamics modeling

Akio Ishii, Hajime Kimizuka, Shigenobu Ogata

COMPUTATIONAL MATERIALS SCIENCE　Vol. 54　No. 1　p. 240-248　2012/03　Research paper (scientific journal)

A Stretched Carbon Nanotube with a High-Density of Topological Defect

Fan Yan Meng, Gui Sheng Wang, San Qiang Shi, Shigenobu Ogata

Advanced Materials Research　Vol. 236-238　p. 2225-2228　2011/05　Research paper (scientific journal)

Effect of temperature on fast hydrogen diffusion in iron: A path-integral quantum dynamics approach

Hajime Kimizuka, Hideki Mori, Shigenobu Ogata

PHYSICAL REVIEW B　Vol. 83　No. 9　2011/03　Research paper (scientific journal)

Microscopic Phase-Field Modeling of Edge and Screw Dislocation Core Structures and Peierls Stresses of BCC Iron

Hideki Mori, Hajime Kimizuka, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 75　No. 2　p. 104-109　2011/02　Research paper (scientific journal)

Stability Analysis of fcc Crystal under Local Share Deformation by Molecular Dynamics

Hiroki USHIDA, Shigenobu OGATA, Hajime KIMIZUKA

Journal of the Society of Materials Science, Japan　Vol. 60　No. 1　p. 71-78　2011/01　Research paper (scientific journal)

Comparison of the Dislocation Density in Martensitic Steels Evaluated by Some X-ray Diffraction Methods

Shigeto Takebayashi, Tomonori Kunieda, Naoki Yoshinaga, Kohsaku Ushioda, Shigenobu Ogata

ISIJ INTERNATIONAL　Vol. 50　No. 6　p. 875-882　2010/06　Research paper (scientific journal)

Modeling and Simulation in Solid Materials

Shigenobu Ogata

OYO-SUURI　Vol. 20　No. 1　p. 57-63　2010/04

DFT-based FEM analysis of nonlinear effects on indentation process in diamond crystal

Naohiro Toda, Hajime Kimizuka, Shigenobu Ogata

INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES　Vol. 52　No. 2　p. 303-308　2010/02　Research paper (scientific journal)

Toughness scale from first principles

Shigenobu Ogata, Ju Li

JOURNAL OF APPLIED PHYSICS　Vol. 106　No. 11　2009/12　Research paper (scientific journal)

Evaluation of Hydrogen Diffusivity and Its Temperature Dependence in BCC Metals: A Path-Integral Centroid Molecular Dynamics Study

Hajime Kimizuka, Hideki Mori, Hiroki Ushida, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 73　No. 8　p. 571-576　2009/08　Research paper (scientific journal)

Dislocation Properties and Peierls Stress of BCC Iron Based on Generalized-Stacking-Fault Energy Surface by Using First Principles Calculations

Hideki Mori, Hajime Kimizuka, Shigenobu Ogata

JOURNAL OF THE JAPAN INSTITUTE OF METALS　Vol. 73　No. 8　p. 595-600　2009/08　Research paper (scientific journal)

Density-functional-theory-based finite-element analysis of diamond single crystal

Naohiro Toda, Hajime Kimizuka, Shigenobu Ogata

Journal of Solid Mechanics and Materials Engineering　Vol. 3　No. 3　p. 541-551　2009/03　Research paper (scientific journal)

Formation of Atomistic Island in Al Film Growth by Kinetic Monte Carlo

Masahiro YAMAMOTO, Kohei KUNIZAWA, Akinori FUJINAMI, Shigenobu OGATA, Yoji SHIBUTANI

Journal of Computational Science and Technology　Vol. 3　No. 1　p. 148-158　2009/02　Research paper (scientific journal)

First-principles approaches to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces

Shigenobu Ogata, Yoshitaka Umeno, Masanori Kohyama

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING　Vol. 17　No. 1　2009/01

The energetics of large deformations of a single polyimide molecular chain: DFT and MO calculations

Akinori Fujinami, Shigenobu Ogata, Hajime Kimizuka, Yoji Shibutani

Macromolecular Theory and Simulations　Vol. 17　No. 9　p. 488-495　2008/12/12　Research paper (scientific journal)

Step-growth anisotropy on thin film epitaxial process

Kohei Kunizawa, Masahiro Yamamoto, Shigenobu Ogata, Yoji Shibutani

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 57　No. 8　p. 780-785　2008/08　Research paper (scientific journal)

Multiple shear banding in a computational amorphous alloy model

M. Wakeda, Y. Shibutani, S. Ogata, J. Park

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING　Vol. 91　No. 2　p. 281-285　2008/05　Research paper (scientific journal)

Database-Accelerated Prallelized Local Quasicontinuum Method based on First-Principles Density-Functional Theory for Crystals Possessing Internal Degrees of Freedom

Naohiro Toda, Hajime Kimizuka, Shigenobu Ogata

Transactions of the Japan Society for Computational Methods in Engineering　2008/03　Research paper (scientific journal)

Hydrostatic compression and high-pressure elastic constants of coesite silica

Hajime Kimizuka, Shigenobu Ogata, Ju Li

JOURNAL OF APPLIED PHYSICS　Vol. 103　No. 5　2008/03　Research paper (scientific journal)

Atomistic formation mechanism of multiple shear bands in amorphous metals

Masato Wakeda, Yoji Shibutani, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 57　No. 2　p. 119-125　2008/02　Research paper (scientific journal)

Hybridized Atomistic Modeling of Migration Observed on Thin Film Surface by Incident Particles

Masahiro YAMAMOTO, Akinori FUJINAMI, Shigenobu OGATA, Yoji SHIBUTANI

Journal of Computational Science and Technology　Vol. 1　No. 1　p. 14-21　2007/11　Research paper (scientific journal)

Plastic bending and shape-memory effect of double-wall carbon nanotubes

Hideki Mori, Shigenobu Ogata, Ju Li, Seiji Akita, Yoshikazu Nakayama

PHYSICAL REVIEW B　Vol. 76　No. 16　2007/10　Research paper (scientific journal)

First-principles Calculation on Screw Dislocation Core Properties in BCC Molybdenum

Futoshi Shimizu, Shigenobu Ogata, Hajime Kimizuka, Takuma Kano, Ju Li, Hideo Kaburaki

Journal of Earth Simulator　Vol. 7　p. 17-21　2007/06　Research paper (scientific journal)

Influence of size and number of nanocrystals on shear band formation in amorphous alloys

Junyoung Park, Yoji Shibutani, Masato Wakeda, Shigenobu Ogata

MATERIALS TRANSACTIONS　Vol. 48　No. 5　p. 1001-1006　2007/05　Research paper (scientific journal)

Thermal conductivity of an ultrathin carbon nanotube with an X-shaped junction

F. Y. Meng, Shigenobu Ogata, D. S. Xu, Y. Shibutani, S. Q. Shi

PHYSICAL REVIEW B　Vol. 75　No. 20　2007/05　Research paper (scientific journal)

Formation of Atomistic Island in Al Film Growth by Kinetic Monte Carlo

YAMAMOTO Masahiro, KUNIZAWA Kohei, FUJINAMI Akinori, OGATA Shigenobu, SHIBUTANI Yoji

Transactions of the Japan Society of Mechanical Engineers Series A　Vol. 73　No. 728　p. 43-49　2007/04　Research paper (scientific journal)

Computational relationship of deformation behavior and materials strength of amorphous alloys to short-ranged local structures

Yoji Shibutani, Masato Wakeda, Shigenobu Ogata, Junyoung Park

THERMEC 2006, PTS 1-5　Vol. 539-543　p. 1911-1916　2007/03　Research paper (international conference proceedings)

Atomistic characterization of structural and elastic properties of auxetic crystalline SiO2

Hajime Kimizuka, Shigenobu Ogata, Yoji Shibutani

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS　Vol. 244　No. 3　p. 900-909　2007/03　Research paper (scientific journal)

Complete set of elastic constants of alpha-quartz at high pressure: A first-principles study

Hajime Kimizuka, Shigenobu Ogata, Ju Li, Yoji Shibutani

PHYSICAL REVIEW B　Vol. 75　No. 5　p. 054109-1-054109-6　2007/02　Research paper (scientific journal)

Relationship between local geometrical factors and mechanical properties for Cu-Zr amorphous alloys

Masato Wakeda, Yoji Shibutani, Shigenobu Ogata, Junyoung Park

INTERMETALLICS　Vol. 15　No. 2　p. 139-144　2007/02　Research paper (scientific journal)

Molecular dynamics study of thermal conductivity of single-walled carbon nanotube with Stone-Wales defects

Shigenobu Ogata, Yohei Hanao, Yoji Shibutani

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 55　No. 8　p. 754-759　2006/08　Research paper (scientific journal)

The strength and hardness of cubic spinel SiAlON (c-Si6-zAlzOzN8-z, z=1)

Cenk Kocer, Naoto Hirosaki, Shigenobu Ogata

SCRIPTA MATERIALIA　Vol. 55　No. 4　p. 391-394　2006/08　Research paper (scientific journal)

Adsorption process of Zn2O2 on a crystal polyimide surface

A. Fujinami, S. Ogata, Y. Shibutani, K. Yamamoto

Modelling and Simulation in Materials Science and Engineering　Vol. 14　No. 5　p. S95-S103　2006/07/01　Research paper (scientific journal)

Evaluation of Mechanical Properties and Negative Poisson's Ratio Behavior in Crystalline SiO2 Materials: An Atomistic Approach

H.Kimizuka, S.Ogata, Y.Shibutani

Transactions of the Japan Society of Mechanical Engineers A, 72-718(2006), 823-829　2006/06　Research paper (scientific journal)

Deformation microstructure of high-quality synthetic diamond crystal subjected to Knoop indentation

H Sumiya, K Yamaguchi, S Ogata

APPLIED PHYSICS LETTERS　Vol. 88　No. 16　2006/04　Research paper (scientific journal)

Energies of conservative and non-conservative antiphase boundaries in Ti3Al: a first principles study

Y Koizumi, S Ogata, Y Minamino, N Tsuji

PHILOSOPHICAL MAGAZINE　Vol. 86　No. 9　p. 1243-1259　2006/03　Research paper (scientific journal)

Molecular Orbital Study of Interfacial Strength between Silica Cluster and Polyimide Surface

Akinori Fujinami, Shigenobu Ogata, Yoji Shibutani, Kenichi Yamamoto, Manabu Kakino

Transactions of the Materials Research Society of Japan, 30-3(2005), 913-916.　2005/12　Research paper (scientific journal)

Molecular Orbital Study on Adsorption Process of Silica Cluster on Polyimide Surface

Akinori Fujinami, Shigenobu Ogata, Yoji Shibutani, Kenichi Yamamoto

Materials Science Forum　Vol. 502　p. 63-68　2005/12　Research paper (scientific journal)

Computational studies of voltage in RF magnetron discharge

M Yamamoto, S Nakashima, H Yamanishi, S Ogata, Y Shibutani

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS　Vol. 44　No. 12　p. 8635-8639　2005/12　Research paper (scientific journal)

Atomistic Studies on High- Temperature Elasticity and Auxetic Behavior in SiO2 Polymorphs

Hajime Kimizuka, Shigenobu Ogata, Yoji Shibutani

Transactions of the Materials Research Society of Japan, 30-3(2005), 909-912.　2005/12　Research paper (scientific journal)

Effects of atomic deviatoric distortion on local glass transition of metallic glasses

J Park, Y Shibutani, S Ogata, M Wakeda

MATERIALS TRANSACTIONS　Vol. 46　No. 12　p. 2848-2855　2005/12　Research paper (scientific journal)

Local Quasi-Continuum Method based on Density Functional Theory

Shigenobu Ogata, Kazuaki Togiya, Yoji Shibutani

Transactions of the Japan Society of Mechanical Engineers A, 71-712(2005), 1653-1658.　Vol. 71　No. 712　p. 1653-1658　2005/12　Research paper (scientific journal)

Chirality dependence of mechanical properties of single-walled carbon nanotubes under axial tensile strain

H Mori, Y Hirai, S Ogata, S Akita, Y Nakayama

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS　Vol. 44　No. 42-45　p. L1307-L1309　2005/10　Research paper (scientific journal)

High-pressure elasticity and auxetic property of alpha-cristobalite

H Kimizuka, S Ogata, Y Shibutani

MATERIALS TRANSACTIONS　Vol. 46　No. 6　p. 1161-1166　2005/06　Research paper (scientific journal)

Ideal Shear Strength and Bond Directionality of FCC and BCC Metals

Shigenobu Ogata, Ju Li, Yoji Shibutani, Sidney Yip

Proceedings of 11th Internaltional Conference on Fracture (Paper No. 5078)　2005/03　Research paper (international conference proceedings)

Ab initio characterization of the mechanical and electronic properties of beta-SiAlON (Si6-zAlzOzN8-z; z=0-5)

N Hirosaki, C Kocer, S Ogata, K Tatsumi

PHYSICAL REVIEW B　Vol. 71　No. 10　2005/03　Research paper (scientific journal)

An Ab-initio Study of Si3N4 Single Crystal Polymorphs

Cenk Kocer, Naoto Hirosaki, Shigenobu Ogata

Transactions of the Materials Research Society of Japan, 29-8, (2004), 3711-3714.　2004/12　Research paper (scientific journal)

Ab initio study of the tensile behavior of single polyimide molecular chain

Akinori Fujinami, Shigenobu Ogata, Yoji Shibutani

Polymer　Vol. 45　No. 26　p. 9023-9028　2004/12　Research paper (scientific journal)

Twinning pathway in BCC molybdenum

S Ogata, J Li, S Yip

EUROPHYSICS LETTERS　Vol. 68　No. 3　p. 405-411　2004/11　Research paper (scientific journal)

Crack Propagation of Siliconby Hybrid Tight-binding Molecular Dynamics

Yoji Shibutani, Naoto Hori, Shigenobu Ogata, Peter Gumbsch

Proceedings of Second International Conference onMultiscale Materials Modeling (MMM-II)　2004/10　Research paper (international conference proceedings)

Analysis of shear deformations in Al and Cu: empirical potentials versus density functional theory

RD Boyer, J Li, S Ogata, S Yip

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING　Vol. 12　No. 5　p. 1017-1029　2004/09　Research paper (scientific journal)

Mechanical integrity of carbon nanotubes for bending and torsion

Yoji Shibutani, Shigenobu Ogata

Modelling and Simulation in Materials Science and Engineering　Vol. 12　No. 4　p. 599-610　2004/07　Research paper (scientific journal)

Ab initio modeling of the stress-strain response of SiAlON (Si6-zAlzOzN8-z, z=0.5 and 1)

C Kocer, N Hirosaki, S Ogata

MATERIALS TRANSACTIONS　Vol. 45　No. 5　p. 1469-1472　2004/05　Research paper (scientific journal)

Electronic Structure of Single-walled Carbon Nanotubes under Tensile Deformation

Shigenobu Ogata, Ayumi Ogawa, Yoji Shibutani

Transactions of the Japan Society of Mechanical Engineers A, 70-693(2004), 678-683.　Vol. 70　No. 693　p. 678-683　2004/05　Research paper (scientific journal)

Ab initio study of ideal shear strength

S Ogata, J Li, Y Shibutani, S Yip

IUTAM SYMPOSIUM ON MESOSCOPIC DYNAMICS OF FRACTURE PROCESS AND MATERIALS STRENGTH　Vol. 115　p. 401-410　2004　Research paper (international conference proceedings)

A comparative ab initio study of the 'ideal' strength of single crystal alpha- and beta-Si3N4

S Ogata, N Hirosaki, C Kocer, Y Shibutani

ACTA MATERIALIA　Vol. 52　No. 1　p. 233-238　2004/01　Research paper (scientific journal)

An ab initio study of the ideal tensile and shear strength of single-crystal beta-Si3N4

S Ogata, N Hirosaki, C Kocer, Y Shibutani

JOURNAL OF MATERIALS RESEARCH　Vol. 18　No. 5　p. 1168-1172　2003/05　Research paper (scientific journal)

Ab initio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides

Naoto Hirosaki, Shigenobu Ogata, Cenk Kocer

Journal of Alloys and Compounds　Vol. 351　No. 1-2　p. 31-34　2003/03/10　Research paper (scientific journal)

Ab initio calculation of the ideal tensile and shear strength of cubic silicon nitride

C Kocer, N Hirosaki, S Ogata

PHYSICAL REVIEW B　Vol. 67　No. 3　2003/01　Research paper (scientific journal)

The ideal thermal conductivity of single crystal alpha - and beta - Si_3N_4,

Naoto Hirosaki, Shigenobu Ogata, Cenk Kocer, Hiroshi Kitagawa

Transactions of the Materials Research Society of Japan, 27-2(2002), 309-312　2002/06　Research paper (scientific journal)

Molecular dynamics calculation of the ideal thermal conductivity of single-crystal alpha- and beta-Si3N4

N Hirosaki, S Ogata, C Kocer, H Kitagawa, Y Nakamura

PHYSICAL REVIEW B　Vol. 65　No. 13　p. 134110-1-134110-11　2002/04　Research paper (scientific journal)

Molecular dynamics simulation of shearing deformation process of silicon nitride single crystal

Shigenobu Ogata, Hiroshi Kitagawa, Naoto Hirosaki, Yoshinari Hatanaka, Takashi Umezu

Computational Materials Science　Vol. 23　No. 1-4　p. 146-154　2002/04　Research paper (international conference proceedings)

First-principle and classical molecular dynamics study on tensile and shear strength of silicon nitride

Shigenobu Ogata, Hiroshi Kitagawa, Naoto Hirosaki

Proceedings of the 10th international conference of fracture, (2001), CD-ROM,ICF100514OR　2001/12　Research paper (international conference proceedings)

An ab initio calculation of the ideal tensile strength of beta-silicon nitride

S Ogata, N Hirosaki, C Kocer, H Kitagawa

PHYSICAL REVIEW B　Vol. 64　No. 17　2001/11　Research paper (scientific journal)

First-Principle Molecular Dynamics Method Based on Pseudopotèntial Method

Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 49　No. 3　p. 250-256　2000/03　Research paper (scientific journal)

Molecular dynamics study on shear deformation of β-silicon nitride single crystal

Shigenobu Ogata, Hiroshi Kitagawa, Naoto Hirosaki, Hiroaki Yasumoto

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 49　No. 3　p. 257-262　2000/03　Research paper (scientific journal)

Molecular dynamics simulation of fracture toughness of silicon nitride single crystal

N Hirosaki, S Ogata, H Kitagawa

GRAIN BOUNDARY ENGINEERING IN CERAMICS - FROM GRAIN BOUNDARY PHENOMENA TO GRAIN BOUNDARY QUANTUM STRUCTURES　Vol. 118　p. 71-78　2000　Research paper (international conference proceedings)

Molecular dynamics study of the stress distribution near a crack tip in beta-silicon nitride

N Hirosaki, S Ogata, H Kitagawa

MATERIALS SCIENCE RESEARCH INTERNATIONAL　Vol. 5　No. 4　p. 253-257　1999/12　Research paper (scientific journal)

First-Principle Molecular Dynamics Method and Its Applications

Shigenobu Ogata

Journal of the Society of Rubber Industry, Japan, 72-11, (1999), 647-652　Vol. 72　No. 11　p. 647-652　1999/11

Molecular dynamics estimation of shearing deformation properties of alpha-silicon nitride single crystal

S Ogata, H Kitagawa, N Hirosaki, H Yasumoto

MATERIALS TRANSACTIONS JIM　Vol. 40　No. 11　p. 1262-1268　1999/11　Research paper (scientific journal)

Ab initio tensile testing simulation of aluminum and aluminum nitride ceramics based on density functional theory

S Ogata, H Kitagawa

COMPUTATIONAL MATERIALS SCIENCE　Vol. 15　No. 4　p. 435-440　1999/11　Research paper (scientific journal)

Molecular Dynamics Study of Sliding Mechanisms in Beta-Silicon Nitride

Shigenobu Ogata, Hiroshi Kitagawa, Naoto Hirosaki, Hiroaki Yasumoto(TOYOTA, MOTOR CORP

Precision Science and Technology for Perfect Surfaces, 1025-1030　1999/08　Research paper (scientific journal)

Molecular Dynamics Simulation of Crack Propagation in Beta-Silicon Nitride

Naoto Hirosaki, Shigenobu Ogata, Hiroshi Kitagawa

Transactions of the Materials Research Society of Japan, MRS-J, 24-2, (1999), 257-260　1999/06　Research paper (scientific journal)

Computer Simulation for Estimation of Mechanical and Thermal Properties of AlN

Hiroshi Kitagawa, Shigenobu Ogata

Key Engineering Materials, 162, (1999), 443-448　1998/09　Research paper (scientific journal)

Ab Initio Tensile Testing Simulation of Al, AlN, and Al/AlN Composite

Shigenobu Ogata, Hiroshi Kitagawa

Advances in Materials Research,(Eds. H.Kitagawa, T.Aihara Jr. and Y.Kawazoe), (1998), 176-184　1998/06　Research paper (scientific journal)

Molecular dynamic study on strength of coincidence grain boundaries

Ken-Ichi Saitoh, Hiroshi Kitagawa, Akihiro Nakatani, Shigenobu Ogata

Zairyo/Journal of the Society of Materials Science, Japan　Vol. 46　No. 3　p. 238-243　1997/03　Research paper (scientific journal)

Ab-initio analysis of aluminum Sigma=5 grain boundaries - Fundamental structures and effects of silicon impurity

S Ogata, H Kitagawa, Y Maegawa, K Saitoh

COMPUTATIONAL MATERIALS SCIENCE　Vol. 7　No. 3　p. 271-278　1997/01　Research paper (scientific journal)

Estimation of AlN/Al Interface Properties based on ab-initio Molecular Dynamics Calculation

Shigenobu Ogata, Hiroshi Kitagawa

Journal of the Japan Institute of Metals, 60-11, (1996), 1079-1083　Vol. 60　No. 11　p. 1079-1083　1996/11　Research paper (scientific journal)

Atomic Diffusion Near Al-Grain Boundary (Molecular Dynamics Analysis Based On Effective-Medium Theory)

Hiroshi Kitagawa, Akihiro Nakatani, Shigenobu Ogata, Ken-ichi Saitoh, Yukihiro Maegawa, Matsushita Electric Industrial Co

Transactions of the Japan Society of Mechanical Engineers A　Vol. 62　No. 602　p. 2358-2363　1996/10　Research paper (scientific journal)

Excess Energy and Diffusion Mechanism in Coincidence Grain Boundaries

Hiroshi Kitagawa, Akihiro Nakatani, Shigenobu Ogata, Ken-ichi Saitoh

Proceedings of the third Asia-Pacific Symposium on Advances in Engineering Plasticity and its applications(AEPA'96), T.Abe and T.Tsuta (Eds.), pp.535-540, Pergamon　1996/08　Research paper (other academic)

Density Functional Calculation of Effect of Silicon Impurity to Aluminum Sigma=5[001] Tilt and Twist Grain Boundary

Shigenobu Ogata, Hiroshi Kitagawa

Transactions of the Materials Research Society of Japan, 29, MRS-J(1996), 823-826　1996/05　Research paper (scientific journal)

Molecular Dynamics Study of Stress-Induced Migration near Al Grain Boundary

Hiroshi Kitagawa, Akihiro Nakatani, Shigenobu Ogata, Ken-ichi Saitoh, Yukihiro Maegawa, Matsushita Electric Industrial Co

Transactions of the Japan Society of Mechanical Engineers A　Vol. 62　No. 595　p. 853-858　1996/03/25　Research paper (scientific journal)

AB-INITIO SIMULATION OF THERMAL-PROPERTIES OF ALN CERAMICS

H KITAGAWA, Y SHIBUTANI, S OGATA

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING　Vol. 3　No. 4　p. 521-531　1995/07　Research paper (scientific journal)