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Theoretical insights into the stability of buckled tetragonal graphene and the prediction of novel carbon allotropes 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 18, 页码: 13116-13125
作者:  Cheng, Chao;  Zhang, Xin;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/07
Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 574, 页码: 11
作者:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：43/0  |  提交时间：2023/05/09
Grain boundaries  Tungsten  Grain boundary atomic density  Molecular dynamics simulation  
Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
作者:  Cheng, Chao;  Wang, Shaoqing
收藏  |  浏览/下载：120/0  |  提交时间：2022/10/08
Fourier projection method  molecular dynamics  anharmonic vibration  thermal conductivity  
The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight 期刊论文
JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 7, 页码: 4625-4642
作者:  Ma, Shang-Yi;  Chen, Qiu-Jie;  Zhang, Wen-Yu;  Wang, Shao-Qing
收藏  |  浏览/下载：89/0  |  提交时间：2022/07/01
Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 1, 页码: 14
作者:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：88/0  |  提交时间：2022/07/01
grain boundary energy  molecular dynamics  body-centered cubic metals  high temperature  
The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 80, 页码: 163-170
作者:  Chen, Qiu-Jie;  Ma, Shang-Yi;  Wang, Shao-Qing
收藏  |  浏览/下载：140/0  |  提交时间：2021/10/15
Titanium alloys  Twin  Interfacial twin boundary phase  Generalized planar fault energy  First-principles  
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study 期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:  Zhang, Xin;  Wang, Shaoqing
收藏  |  浏览/下载：109/0  |  提交时间：2021/10/15
Stone–  Wales defect  single vacancy  double vacancy  interfacial bonding strength  mechanical properties  graphene  Al composites  
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study 期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:  Zhang, Xin;  Wang, Shaoqing
收藏  |  浏览/下载：122/0  |  提交时间：2021/10/15
Stone–  Wales defect  single vacancy  double vacancy  interfacial bonding strength  mechanical properties  graphene  Al composites  
First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces 期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 71, 页码: 43412-43419
作者:  Zhang, Xin;  Sun, Shenghui;  Wang, Shaoqing
收藏  |  浏览/下载：126/0  |  提交时间：2021/03/15
Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics 期刊论文
SCIENTIFIC REPORTS, 2020, 卷号: 10, 期号: 1, 页码: 14
作者:  Wang, Shaoqing
收藏  |  浏览/下载：128/0  |  提交时间：2021/02/02