scholarly journals Tailoring the Static and Dynamic Mechanical Properties of Tri-Block Copolymers through Molecular Dynamics Simulation

Polymers ◽  
2016 ◽  
Vol 8 (9) ◽  
pp. 335 ◽  
Author(s):  
Zijian Zheng ◽  
Hongji Liu ◽  
Jianxiang Shen ◽  
Jun Liu ◽  
Youping Wu ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Block Copolymers ◽  
Dynamic Mechanical Properties ◽  
Dynamics Simulation ◽  
Dynamic Mechanical

Stress–strain behavior of block-copolymers and their nanocomposites filled with uniform or Janus nanoparticles under shear: a molecular dynamics simulation

2016 ◽  
Vol 18 (39) ◽  
pp. 27232-27244 ◽  
Author(s):  
Lu Wang ◽  
Hongji Liu ◽  
Fanzhu Li ◽  
Jianxiang Shen ◽  
Zijian Zheng ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Block Copolymers ◽  
Dynamics Simulation ◽  
Stress Strain ◽  
Ordered Structures ◽  
Strain Behavior ◽  
Janus Nanoparticles

We adopted molecular dynamics simulation to study the relation between the ordered structures and the resulting mechanical properties of block copolymers filled with uniform or Janus nanoparticles.

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.

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