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The effect of carbon vacancy on the properties of ZrC by MEAM potentials 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2024, 卷号: 85, 页码: 7
Authors:  Ouyang, Yifang;  Xiong, Meiling;  Lin, Kuixin;  Zhou, Yulu;  Chen, Hongmei;  Tao, Xiaoma;  Peng Q(彭庆);  Du, Yong
Favorite  |  View/Download：15/0  |  Submit date：2024/05/27
Zr-C system  MEAM potential  Physical properties  
Microstructure evolution in 439 stainless steels under tensile: phase field simulation and experiment 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2024, 卷号: 32, 期号: 3, 页码: 23
Authors:  Liu, Yongbo;  Wang, Mingtao;  Liu, Qingcheng;  Jin, Jianfeng;  彭庆3,4,5);  Zong, Yaping
Favorite  |  View/Download：70/0  |  Submit date：2024/03/11
439 stainless steel  phase field simulation  tensile stress  texture  microstructure  
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：27/0  |  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  
Insights into scratching force in axial ultrasonic vibration-assisted single grain scratching 期刊论文
JOURNAL OF MANUFACTURING PROCESSES, 2024, 卷号: 112, 页码: 150-160
Authors:  Zhang, Yuqiang;  Hu, Zhongwei;  Chen, Yue;  Yu, Yiqing;  Jin, Jianfeng;  Peng Q(彭庆);  Xu, Xipeng
Favorite  |  View/Download：40/0  |  Submit date：2024/04/02
Axial ultrasonic vibration  Scratching  Scratching force  Molecular dynamics  Periodic fluctuation  
Steric repulsion introduced by loop constraints modulates the microphase separation of chromatins 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 160, 期号: 5, 页码: 9
Authors:  Wei JC(韦佳辰);  Xue, Yue;  Liu, Yawei;  Tian, Hao;  Shao YF(邵颖峰);  Gao, Yi Qin
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Manipulation of Contact Angle Hysteresis at Electrified Ionic Liquid-Solid Interfaces 期刊论文
PHYSICAL REVIEW LETTERS, 2024, 卷号: 132, 期号: 4, 页码: 6
Authors:  Nie PC(聂鹏程);  Jiang XK(蒋玺恺);  Zheng X(郑旭);  Guan DS(关东石)
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Dynamics-Entropy Relationship in Metallic Glasses 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2024, 卷号: 15, 期号: 3, 页码: 811-816
Authors:  Cao LL(曹琳莉);  Wang YJ(王云江)
Favorite  |  View/Download：51/0  |  Submit date：2024/02/26
Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
Authors:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
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High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
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Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
Superior hydrogen permeation resistance via Ni-graphene nanocomposites: Insights from atomistic simulations 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 28, 页码: 2086-2097
Authors:  Huang, Hai;  Peng Q(彭庆);  Tang, Xiaobin
Favorite  |  View/Download：55/0  |  Submit date：2024/02/19
Hydrogen embrittlement  Ni/graphene interface  Diffusion  Trapping  Permeation resistance  Atomistic simulations