Study on the Effect of Different Factors of Displacement Cascades in Alpha-Fe by Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Pandong Lin ◽  
Junfeng Nie ◽  
Meidan Liu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Displacement Cascades ◽  
Dynamics Simulations

scholarly journals Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations

2015 ◽  
Vol 462 ◽  
pp. 329-337 ◽  
Author(s):  
Wahyu Setyawan ◽  
Giridhar Nandipati ◽  
Kenneth J. Roche ◽  
Howard L. Heinisch ◽  
Brian D. Wirth ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Displacement Cascades ◽  
Dynamics Simulations

Simulation by classical molecular dynamics of the influence of radiation effects on the fracture behavior of simplified nuclear glasses

2012 ◽  
Vol 1475 ◽  
Author(s):  
Le-Hai Kieu ◽  
Jean-Marc Delaye ◽  
Claude Stolz
Keyword(s):  
Molecular Dynamics ◽  
Fracture Toughness ◽  
Molecular Dynamics Simulations ◽  
Radiation Effects ◽  
Fracture Behavior ◽  
Elastic Limit ◽  
Experimental Results ◽  
Displacement Cascades ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations

ABSTRACTClassical molecular dynamics simulations were used to compare the fracture behavior of pristine and disordered specimens of a simplified nuclear glass. The disordered specimen is prepared in order to mimic the effects of accumulating displacement cascades. It is characterized by a decreasing Boron coordination and an increasing Na concentration in a modifying role. We observe an enhancement of the plasticity of the disordered glass and a decrease of the elastic limit, resulting in greater fracture toughness. The simulation findings are consistent with experimental results.

Molecular dynamics simulations of high-energy displacement cascades in hcp-Zr

2018 ◽  
Vol 508 ◽  
pp. 540-545 ◽  
Author(s):  
Wei Zhou ◽  
Jiting Tian ◽  
Qijie Feng ◽  
Jian Zheng ◽  
Xiankun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
High Energy ◽  
Displacement Cascades ◽  
Dynamics Simulations
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