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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：12/0  |  Submit date：2024/11/14
PHOTH-graphene  mechanical property  MD  defects  hydrogen functionalization  
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：71/0  |  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：122/0  |  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
Adobe PDF(3669Kb)  |  Favorite  |  View/Download：163/12  |  Submit date：2023/11/13
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：50/4  |  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：59/7  |  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：208/16  |  Submit date：2023/06/15
Stability and Elasticity of Quasi Hexagonal Fullerene Monolayer from First Principles Study 期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 2, 页码: 224./通讯作者：Tang, S (corresponding author), Northeastern Univ, State Key Lab Rolling & Automat, Shenyang 110819, Peoples R China., Peng, Q (corresponding author), Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China., Peng, Q (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China., Peng, Q (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China.
Authors:  Shen, Guichang;  Li, Linxian;  Tang, Shuai;  Jin, Jianfeng;  Chen, XiaoJia;  Peng Q(彭庆)
Adobe PDF(3455Kb)  |  Favorite  |  View/Download：45/3  |  Submit date：2023/04/20
qhp C 60  stability  first principles  mechanical properties  
Elasticity of Mg3Bi2-xSbx 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 20, 页码: 12./通讯作者：Peng, Qing, Chen, Xiao-Jia
Authors:  Peng Q(彭庆);  Zhao,Shuai;  Yuan XZ(袁晓泽);  Chen,XiaoJia
Adobe PDF(2427Kb)  |  Favorite  |  View/Download：203/41  |  Submit date：2022/11/21
thermoelectric materials  Mg3Bi2-xSbx  elasticity  first-principle calculation  
高超声速二元进气道循环气流边界层控制方法研究 会议论文
LHD2011夏季学术研讨会, 内蒙赤峰, 2011
Authors:  岳连捷;  叶青;  张晓嘉;  陈立红;  张新宇
Adobe PDF(837Kb)  |  Favorite  |  View/Download：504/236  |  Submit date：2014/01/23
高超声速进气道  边界层分离  流动控制  循环气流控制