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繰り返し荷重を受ける銅ナノワイヤの塑性変形に関する分子動力学法解析：結晶方位の影響

材料, 2024/02/15, Vol.73(2), pp.115-120

2024

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Combining scattering analysis and atomistic simulation of wood-water interactions

Carbohydrate polymers, 2021-01, Vol.251, p.117064-117064, Article 117064

2021

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銅単結晶ナノワイヤにおける転位発生強度の支配因子に関する定量的検討

材料, 2024/02/15, Vol.73(2), pp.121-128

2024

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金属ガラスにおける構造制御と変形挙動の原子論的研究

材料, 2023/03/15, Vol.72(3), pp.214-215

譯田, 真人

2023

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機械学習ポテンシャルを用いたBCC鉄へき開の大規模原子シミュレーション

材料, 2024/02/15, Vol.73(2), pp.129-135

2024

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Machine-learning interatomic potentials for materials science

Acta materialia, 2021-08, Vol.214, p.116980, Article 116980

Mishin, Y.

2021

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Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

Proceedings of the National Academy of Sciences - PNAS, 2016-10, Vol.113 (40), p.11137-11142

2016

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Simulation of kinematic Kikuchi diffraction patterns from atomistic structures

MethodsX, 2018-01, Vol.5 (C), p.1187-1203

2018

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Influence of chemical composition on the room temperature plasticity of C15 Ca-Al-Mg Laves phases

Acta materialia, 2024-09, Vol.276, p.120124, Article 120124

2024

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On the Molecular Mechanism of a Photo‐Responsive Phase Change Memory

Advanced theory and simulations, 2021-05, Vol.4 (5), p.n/a

Amirjalayer, Saeed

2021

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Effects of anisotropy on the equilibrium shape of nanoscale pores at grain boundaries

Acta materialia, 2013-07, Vol.61 (12), p.4572-4580

2013

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Atomistic investigation of the interaction between an edge dislocation and 1/2 interstitial dislocation loops in irradiated tungsten

International journal of plasticity, 2024-08, Vol.179, p.104030, Article 104030

2024

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Design of novel high entropy alloys based on the end-of-life recycling rate and element lifetime for cryogenic applications

Materials & design, 2024-10, Vol.246, p.113316, Article 113316

2024

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Unlocking 3D nanoparticle shapes from 2D HRTEM images: A Deep Learning breakthrough

BIO web of conferences, 2024, Vol.129, p.10030

2024

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Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

Computational materials science, 2020-04, Vol.175, p.109584, Article 109584

2020

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Active learning of linearly parametrized interatomic potentials

Computational materials science, 2017-12, Vol.140, p.171-180

2017

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Predicting initial dissolution rates using structural features from molecular dynamics simulations

Journal of the American Ceramic Society, 2022-10, Vol.106 (2)

2022

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Physical model of neutron scattering by clathrate hydrate and C 60 hosting paramagnetic oxygen molecules

Journal of physics. Condensed matter, 2024-09, Vol.36 (38), p.385904

2024

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Enumeration of the hydrogen-enhanced localized plasticity mechanism for hydrogen embrittlement in structural materials

Acta materialia, 2019-02, Vol.165, p.734-750

2019

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Molecular Dynamics Simulation of Plastic Deformation in Cu Nanowires under Cyclic Loading: Effect of Crystal Orientation

Journal of the Society of Materials Science, Japan, 2024/02/15, Vol.73(2), pp.115-120

2024

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Atomsk: A tool for manipulating and converting atomic data files

Computer physics communications, 2015-12, Vol.197, p.212-219

Hirel, Pierre

2015

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Grain boundary diffusion and segregation of Cr in Ni Σ11(1̄13)[110] bicrystals: Decoding the role of grain boundary defects

Acta materialia, 2024-10, Vol.278, Article 120229

2024

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Enhancing glass property predictions through ab initio‐derived descriptors

Journal of the American Ceramic Society, 2024-09, Vol.107 (9), p.5841-5853

2024

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Glide mobility of the 1/2[1 1 0](0 0 1) edge dislocation in UO2 from molecular dynamics simulation

International journal of plasticity, 2017-02, Vol.89, p.85-95

2017

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Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential

Materials & design, 2021-04, Vol.202, p.109560, Article 109560

2021

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繰り返し荷重を受ける銅ナノワイヤの塑性変形に関する分子動力学法解析：結晶方位の影響

Combining scattering analysis and atomistic simulation of wood-water interactions

銅単結晶ナノワイヤにおける転位発生強度の支配因子に関する定量的検討

金属ガラスにおける構造制御と変形挙動の原子論的研究

機械学習ポテンシャルを用いたBCC鉄へき開の大規模原子シミュレーション

Machine-learning interatomic potentials for materials science

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

Simulation of kinematic Kikuchi diffraction patterns from atomistic structures

Influence of chemical composition on the room temperature plasticity of C15 Ca-Al-Mg Laves phases

On the Molecular Mechanism of a Photo‐Responsive Phase Change Memory

Effects of anisotropy on the equilibrium shape of nanoscale pores at grain boundaries

Atomistic investigation of the interaction between an edge dislocation and 1/2 interstitial dislocation loops in irradiated tungsten

Design of novel high entropy alloys based on the end-of-life recycling rate and element lifetime for cryogenic applications

Unlocking 3D nanoparticle shapes from 2D HRTEM images: A Deep Learning breakthrough

Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

Active learning of linearly parametrized interatomic potentials

Predicting initial dissolution rates using structural features from molecular dynamics simulations

Physical model of neutron scattering by clathrate hydrate and C 60 hosting paramagnetic oxygen molecules

Enumeration of the hydrogen-enhanced localized plasticity mechanism for hydrogen embrittlement in structural materials

Molecular Dynamics Simulation of Plastic Deformation in Cu Nanowires under Cyclic Loading: Effect of Crystal Orientation

Atomsk: A tool for manipulating and converting atomic data files

Grain boundary diffusion and segregation of Cr in Ni Σ11(1̄13)[110] bicrystals: Decoding the role of grain boundary defects

Enhancing glass property predictions through ab initio‐derived descriptors

Glide mobility of the 1/2[1 1 0](0 0 1) edge dislocation in UO2 from molecular dynamics simulation

Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential

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