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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  
Assessing Effects of van der Waals Corrections on Elasticity of Mg3Bi2-xSbx in DFT Calculations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan XZ(袁晓泽);  Chen, Xiaojia
Adobe PDF(3669Kb)  |  Favorite  |  View/Download：96/3  |  Submit date：2023/11/13
thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-xSbx  
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  
A Review of the Mechanical Properties of Graphene Aerogel Materials: Experimental Measurements and Computer Simulations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 5, 页码: 1800
Authors:  Qi, Penghao;  Zhu, Hanxing;  Borodich, Feodor;  Peng Q(彭庆)
Adobe PDF(14377Kb)  |  Favorite  |  View/Download：39/0  |  Submit date：2023/04/20
aerogel  graphene  mechanical properties  computational simulation  experiment measurements  
Elasticity of Mg3Bi2-xSbx 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 20, 页码: 12
Authors:  Peng Q(彭庆);  Zhao,Shuai;  Yuan XZ(袁晓泽);  Chen,XiaoJia
Adobe PDF(2427Kb)  |  Favorite  |  View/Download：145/31  |  Submit date：2022/11/21
thermoelectric materials  Mg3Bi2-xSbx  elasticity  first-principle calculation  
Effect of Microstructure on the Onset Strain and Rate per Strain of Deformation-Induced Martensite Transformation in Q&P Steel by Modeling 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 3, 页码: 952
Authors:  Cao, Jingyi;  Jin, Jianfeng;  Li, Shaojie;  Wang, Mingtao;  Tang, Shuai;  Peng Q(彭庆);  Zong, Yaping
Adobe PDF(14303Kb)  |  Favorite  |  View/Download：115/31  |  Submit date：2022/10/23
deformation-induced martensitic transformation  microstructure  onset strain of phase transformation  Q&P steel  micromechanics model