Uniaxial tension of crystalline CoSb3 with holes of different sizes: a molecular dynamics study

2021 ◽  
Vol 128 (1) ◽  
Author(s):  
Li-Ju Cai ◽  
Xu-Qiu Yang ◽  
Peng-Cheng Zhai
Keyword(s):  
Molecular Dynamics ◽  
Uniaxial Tension

A Study on the Uniaxial Tension of FCC Metals at Nano Level Using MD

2008 ◽  
Vol 32 ◽  
pp. 255-258
Author(s):  
Bohayra Mortazavi ◽  
Akbar Afaghi Khatibi
Keyword(s):  
Molecular Dynamics ◽  
Uniaxial Tension ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Engineering Strain ◽  
Fcc Metals ◽  
Engineering Stress ◽  
Nano Science ◽  
Face Centered

Molecular Dynamics (MD) are now having orthodox means for simulation of matter in nano-scale. It can be regarded as an accurate alternative for experimental work in nano-science. In this paper, Molecular Dynamics simulation of uniaxial tension of some face centered cubic (FCC) metals (namely Au, Ag, Cu and Ni) at nano-level have been carried out. Sutton-Chen potential functions and velocity Verlet formulation of Noise-Hoover dynamic as well as periodic boundary conditions were applied. MD simulations at different loading rates and temperatures were conducted, and it was concluded that by increasing the temperature, maximum engineering stress decreases while engineering strain at failure is increasing. On the other hand, by increasing the loading rate both maximum engineering stress and strain at failure are increasing.

Molecular insights into the effect of graphene packing on mechanical behaviors of graphene reinforced cis-1,4-polybutadiene polymer nanocomposites

2017 ◽  
Vol 19 (33) ◽  
pp. 22417-22433 ◽  
Author(s):  
Yishuo Guo ◽  
Jun Liu ◽  
Youping Wu ◽  
Liqun Zhang ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Polymer Nanocomposites ◽  
Chain Structure ◽  
Dynamics Simulation ◽  
Mechanical Behaviors ◽  
Structure Dynamics

We adopt molecular dynamics simulation to study the graphene packing patterns on chain structure, dynamics, uniaxial tension and visco-elastic behaviors.

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