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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
Authors:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Favorite  |  View/Download：18/0  |  Submit date：2024/05/27
Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics  
The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 12, 页码: 4296
Authors:  Yuan, Xiaoting;  Huang, Hai;  Zhong, Yinghui;  Cai, Bin;  Liu, Zhongxia;  Peng Q(彭庆)
Adobe PDF(8741Kb)  |  Favorite  |  View/Download：28/2  |  Submit date：2023/07/17
nickel-based alloys  hydrogen embrittlement  displacement cascades  hydrogen clusters  molecular dynamics  
Study of Viscoelastic Properties of Graphene Foams Using Dynamic Mechanical Analysis and Coarse Grained Molecular Dynamics Simulations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 6, 页码: 2457
Authors:  Liu, Shenggui;  Lyu, Mindong;  Yang, Cheng;  Jiang MQ(蒋敏强);  Wang C(王超)
Adobe PDF(4572Kb)  |  Favorite  |  View/Download：47/1  |  Submit date：2023/04/20
graphene foam materials  viscoelastic properties  dynamic mechanical analysis  microstructure  coarse grained molecular dynamics simulation  
Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations 期刊论文
MATERIALS, 2021, 卷号: 14, 期号: 19, 页码: 14
Authors:  Liu, Shenggui;  Lyu, Mindong;  Wang C(王超)
Adobe PDF(7393Kb)  |  Favorite  |  View/Download：249/38  |  Submit date：2021/11/29
graphene foam materials  microstructure  bi-modal sheet thickness  stress-strain curve  coarse-grained molecular dynamics