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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
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View/Download:12/0
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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)
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View/Download:253/63
  |  
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)
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View/Download:282/46
  |  
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)
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View/Download:254/71
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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)
Adobe PDF(4817Kb)
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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)
Adobe PDF(3185Kb)
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View/Download:499/234
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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)
Adobe PDF(3092Kb)
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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)
Adobe PDF(4212Kb)
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View/Download:630/217
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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
Adobe PDF(193Kb)
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View/Download:530/95
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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
How to identify dislocations in molecular dynamics simulations?
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2014, 卷号: 57, 期号: 12, 页码: 2177-2187
Authors:
Li D
;
Wang FC
;
Yang ZY
;
Zhao YP(赵亚溥)
;
Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China.
Adobe PDF(1674Kb)
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Submit date:2015/01/04
Dislocations
Defects
Md Simulation
Structural Characterization
Hydraulic Fracturing (Fracking)