scholarly journals Molecular Dynamics Simulation of Local Structure Evolution in Cu Amorphous during Uniaxial Tension and Compression

2018 ◽  
Vol 59 (2) ◽  
pp. 172-175
Author(s):  
Ye Li ◽  
Hongye Liang ◽  
Xing Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Local Structure ◽  
Dynamics Simulation ◽  
Structure Evolution ◽  
Tension And Compression

Molecular Dynamics Simulation of Relaxation and Local Structure Change of a Molten Cu135 Cluster during Rapidly Quenching

2011 ◽  
Vol 694 ◽  
pp. 908-913 ◽  
Author(s):  
S.N Xu ◽  
N. He ◽  
L. Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Local Structure ◽  
Average Energy ◽  
Dynamics Simulation ◽  
Relaxation Processes ◽  
Quenching Temperature ◽  
Embedded Atom ◽  
Structure Changes ◽  
Β Relaxation

Relaxation and local structure changes of a molten Cu135 cluster have been studied by molecular dynamics simulation using embedded atom method when the cluster is rapidly quenched to 700K, 600K, 500K, 400K, 300K, 200K, and 100K. With decreasing quenching temperature, details of energy evolvement and relaxation are analyzed. The simulation results show that the final structures are molten at 700K, like-icosahedral geometry at 600K-200K, non-crystal at 100K. The average energy of atoms is the lowest at 500K, and in the relaxation has abrupt increase at 25,135 and 42ps separately at 400K, 300K, and 200K. The simulation reveals that the quenching temperature has great affect on the relaxation processes of the Cu135 cluster after β relaxation region.

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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