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Atomistic Study on the Mechanical Properties of HOP-Graphene Under Variable Strain, Temperature, and Defect Conditions 期刊论文
NANOMATERIALS, 2025, 卷号: 15, 期号: 1, 页码: 18./通讯作者：Cai, Xintian, Chen, Xiao-Jia, Hu, Zhongwei
Authors:  Peng Q(彭庆);  Li, Jiale;  Cai, Xintian;  Chen, Gen;  Huang, Zeyu;  Zheng, Lihang;  Li, Hongyang;  Chen, XiaoJia;  Hu, Zhongwei
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HOP-graphene  molecular dynamics  mechanical properties  defects  
Mechanical properties of TPDH-graphene: atomistic aspect 期刊论文
PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 11, 页码: 115996./通讯作者：Peng Q, Chen XJ, Hu ZW
Authors:  Peng Q(彭庆);  Chen, Gen;  Huang, Zeyu;  Zhang, Yuqiang;  Zhang XF(张晓帆);  Chen, XiaoJia;  Hu, Zhongwei
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TPDH-graphene  MD  mechanical property  defects  
Molecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 19, 页码: 20./通讯作者：Peng, Qing, Chen, Xiao-Jia, Hu, Zhongwei
Authors:  Peng Q(彭庆);  Chen, Gen;  Huang, Zeyu;  Chen X(陈雪);  Li, Ao;  Cai, Xintian;  Zhang, Yuqiang;  Chen, XiaoJia;  Hu, Zhongwei
Favorite  |  View/Download：30/0  |  Submit date：2024/11/14
PHOTH-graphene  mechanical property  MD  defects  hydrogen functionalization  
Experimental Investigation of Evaporation in Two Phase System Rack aboard Chinese Space Station 会议论文
75th International Astronautical Congress (2024), 米兰, 2024.10.13-20
Authors:  Tao YQ(陶跃群);  Liu QS(刘秋生);  He NF(何乃峰);  Xu QX(徐清玄);  Jie JC(解京昌);  Zhang XJ;  Xue J;  Li C;  Wang L;  He YF;  Liu GN
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Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 6, 页码: 15./通讯作者：Peng, Qing, Chen, Xiao-Jia, Hu, Zhongwei
Authors:  Peng Q(彭庆);  Huang, Zeyu;  Chen, Gen;  Zhang, Yuqiang;  Zhang, Xiaofan;  Chen, XiaoJia;  Hu, Zhongwei
Favorite  |  View/Download：92/0  |  Submit date：2024/05/14
8-16-4 graphyne  mechanical properties  molecular dynamics  vacancy defect  microcrack  
Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17./通讯作者：Yang, Xiaoyu
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia
Favorite  |  View/Download：131/0  |  Submit date：2024/02/19
thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-vSbv  MatCloud  
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./通讯作者：Peng, Qing, Chen, Xiaojia
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan XZ(袁晓泽);  Chen, Xiaojia
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thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-xSbx  
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260./通讯作者：Peng, Q, Chen, XJ (corresponding author), Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China., Wen, XD (corresponding author), Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, Taiyuan 030001, Peoples R China.
Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong;  Chen, Xiaojia
Adobe PDF(3656Kb)  |  Favorite  |  View/Download：58/7  |  Submit date：2023/07/17
Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling  
Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 8, 页码: 1382./通讯作者：Chen, XJ, Cao, Q
Authors:  Peng Q(彭庆);  Ma ZW(马知未);  Cai, Shixian;  Zhao S(赵帅);  Chen, Xiaojia;  Cao, Qiang
Adobe PDF(2490Kb)  |  Favorite  |  View/Download：100/24  |  Submit date：2023/06/15
AlGaN thin film  molecular dynamics simulations  laser annealing  atomistic structure  
Topological states of thermoelectric Yb-filled skutterudites 期刊论文
PHYSICAL REVIEW B, 2023, 卷号: 107, 期号: 12, 页码: 125202./通讯作者：Chen, XJ
Authors:  Pang, HongJie;  Yu, Hao;  Li, WeiJian;  Chen, LiuCheng;  Qiu, PengFei;  Peng Q(彭庆);  Chen, XiaoJia
Adobe PDF(1537Kb)  |  Favorite  |  View/Download：281/53  |  Submit date：2023/06/15