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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
Authors:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
Favorite  |  View/Download:5/0  |  Submit date:2022/07/01
grain boundary energy  molecular dynamics  body-centered cubic metals  high temperature  
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
Authors:  Zhang, Xin;  Wang, Shaoqing
Favorite  |  View/Download:29/0  |  Submit date: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
Authors:  Zhang, Xin;  Wang, Shaoqing
Favorite  |  View/Download:28/0  |  Submit date: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
Authors:  Zhang, Xin;  Sun, Shenghui;  Wang, Shaoqing
Favorite  |  View/Download:33/0  |  Submit date: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
Authors:  Wang, Shaoqing
Favorite  |  View/Download:32/0  |  Submit date:2021/02/02
First-principles investigation of the microscopic mechanism of the physical and chemical mixed adsorption of graphene on metal surfaces 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 56, 页码: 32712-32720
Authors:  Zhang, Xin;  Wang, Shaoqing
Favorite  |  View/Download:27/0  |  Submit date:2021/02/02
Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 5, 页码: 9271-9283
Authors:  Wang, Shaoqing
Favorite  |  View/Download:31/0  |  Submit date:2021/02/02
Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 5, 页码: 9271-9283
Authors:  Wang, Shaoqing
Favorite  |  View/Download:24/0  |  Submit date:2021/02/02
First-Principles Design of Refractory High Entropy Alloy VMoNbTaW 期刊论文
ENTROPY, 2018, 卷号: 20, 期号: 12, 页码: 10
Authors:  Zheng, Shumin;  Wang, Shaoqing
Favorite  |  View/Download:127/0  |  Submit date:2021/02/02
high-entropy alloys  first-principles calculation  maximum entropy  elastic property  
First-Principles Design of Refractory High Entropy Alloy VMoNbTaW 期刊论文
ENTROPY, 2018, 卷号: 20, 期号: 12, 页码: 10
Authors:  Zheng, Shumin;  Wang, Shaoqing
Favorite  |  View/Download:126/0  |  Submit date:2021/02/02
high-entropy alloys  first-principles calculation  maximum entropy  elastic property