Molecular Dynamics Simulation of the Effects of Layer Thickness and Chain Tilt on Tensile Deformation Mechanisms of Semicrystalline Polyethylene

2017 ◽  
Vol 50 (4) ◽  
pp. 1700-1712 ◽  
Author(s):  
In-Chul Yeh ◽  
Joseph L. Lenhart ◽  
Gregory C. Rutledge ◽  
Jan W. Andzelm
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Layer Thickness ◽  
Tensile Deformation ◽  
Dynamics Simulation ◽  
Deformation Mechanisms ◽  
Chain Tilt

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

Deformation mechanisms in nanotwinned γ-TiAl by molecular dynamics simulation

2018 ◽  
Vol 44 (18) ◽  
pp. 1489-1500 ◽  
Author(s):  
Cao Hui ◽  
Rui Zhiyuan ◽  
Chen Wenke ◽  
Feng Ruicheng ◽  
Yan Changfeng
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Deformation Mechanisms

Deformation mechanisms in nanotwinned copper by molecular dynamics simulation

2017 ◽  
Vol 687 ◽  
pp. 343-351 ◽  
Author(s):  
Xing Zhao ◽  
Cheng Lu ◽  
Anh Kiet Tieu ◽  
Linqing Pei ◽  
Liang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Deformation Mechanisms
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