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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
Favorite  |  View/Download：9/0  |  Submit date：2024/12/02
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：33/0  |  Submit date：2024/11/14
PHOTH-graphene  mechanical property  MD  defects  hydrogen functionalization  
一种从离散模拟到连续介质弹性模拟的过渡方法 期刊论文
力学学报, 2021, 卷号: 53, 期号: 11, 页码: 3080-3096
Authors:  宓思恩;  刘小明;  魏悦广
Adobe PDF(2645Kb)  |  Favorite  |  View/Download：296/100  |  Submit date：2022/03/16
MD-FEA方法  应力-应变场  原子应变  位力应力  
一种从离散模拟到连续介质弹性模拟模拟的过渡方法 期刊论文
力学学报, 2021, 卷号: 53, 期号: 11, 页码: 3080-3096
Authors:  宓思恩;  刘晓明;  魏悦广
Adobe PDF(4098Kb)  |  Favorite  |  View/Download：329/89  |  Submit date：2022/01/13
MD-FEA方法  位力应力  应力-应变场  原子应变  
Impact of water on methane adsorption in nanopores: A hybrid GCMC-MD simulation study 会议论文
ICCS 2020 Conference, Amsterdam, The Netherlands, 3-5 June, 2020
Authors:  Zhou J(周羁);  Jiang WB(江文滨);  Lin M(林缅);  Ji LL(姬莉莉);  Cao GH(曹高辉)
Adobe PDF(3451Kb)  |  Favorite  |  View/Download：274/76  |  Submit date：2021/01/28
Shale gas Adsorption GCMC MD Water saturation   
The Constructions and Pyrolysis of 3D Kerogen Macromolecular Models: Experiments and Simulations 期刊论文
GLOBAL CHALLENGES, 2019, 卷号: 3, 期号: 5, 页码: 1900006./通讯作者：Zhao, YP
Authors:  Wang XH(王晓荷);  Huang XF(黄先富);  Lin K(林岿);  Zhao YP(赵亚溥)
View  |  Adobe PDF(4817Kb)  |  Favorite  |  View/Download：487/130  |  Submit date：2020/03/21
chemical kinetics  hybrid MD  fbMC approach  kerogen  macromolecular models  pyrolysis  
Conductivity Maximum in 3D Graphene Foams 期刊论文
SMALL, 2018, 卷号: 14, 期号: 32, 页码: 1801458
Authors:  Liu F(刘峰);  Wang C(王超);  Tang QH(汤奇恒)
View  |  Adobe PDF(3185Kb)  |  Favorite  |  View/Download：533/261  |  Submit date：2018/10/19
3d Graphene Foams  Conductivity  First Principle  Md Simulations  Strain  
In-Plane Heterostructures Enable Internal Stress Assisted Strain Engineering in 2D Materials 期刊论文
SMALL, 2018, 卷号: 14, 期号: 15, 页码: 1703512
Authors:  Liu F(刘峰);  Wang TC(王自强);  Tang QH(汤奇恒)
View  |  Adobe PDF(3092Kb)  |  Favorite  |  View/Download：387/185  |  Submit date：2018/10/30
2D materials  Eshelby inclusion theory  in-plane heterostructures  MD simulations  strain engineering  
Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation 期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 12, 页码: 1016-1024
Authors:  Liao LJ(廖丽涓);  Meng CY(孟昶宇);  Huang CG(黄晨光)
View  |  Adobe PDF(4212Kb)  |  Favorite  |  View/Download：686/266  |  Submit date：2018/07/17
Chain Branching  Polyethylene (Pe)  Mechanical Properties  Molecular Dynamics (Md) Simulation  Atomic Scale  
两种分子模拟方法(MD和MST)优缺点和应用的讨论 会议论文
中国力学大会-2015, 中国上海, 2015-08-16
Authors:  白以龙
View  |  Adobe PDF(193Kb)  |  Favorite  |  View/Download：549/105  |  Submit date：2016/08/16
分子模拟方法  统计热力学  实验观测  Md  Mst  新机理  有限元法  准静态