scholarly journals Molecular Dynamics Simulation of Screw Dislocation Behavior under Uniaxial Compression : Elastoplastic Transition of KCl Crystal

2008 ◽  
Vol 57 (4) ◽  
pp. 363-367
Author(s):  
Takahiro KINOSHITA ◽  
Katsuyuki KAWAMURA ◽  
Tsutomu MASHIMO
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Screw Dislocation ◽  
Uniaxial Compression ◽  
Dynamics Simulation ◽  
Dislocation Behavior ◽  
Elastoplastic Transition

Molecular Dynamics Simulation of Interaction between Screw Dislocation and Copper Precipitate in Iron

2008 ◽  
Vol 33-37 ◽  
pp. 895-900 ◽  
Author(s):  
Akiyuki Takahashi ◽  
Yuji Aoki ◽  
Masanori Kikuchi
Keyword(s):  
Molecular Dynamics ◽  
Shear Stress ◽  
Molecular Dynamics Simulation ◽  
Screw Dislocation ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Peierls Stress ◽  
Attractive Interaction ◽  
Good Prediction ◽  
Critical Resolved Shear Stress

This paper provides the results of the MD simulations of the interaction between a screw dislocation and a copper precipitate in iron. From the results, the screw dislocation has an attractive interaction with the copper precipitate. Also, the dependence of the Critical Resolved Shear Stress (CRSS) for the screw dislocation to break away from the copper precipitate on the size of the precipitate and temperature is studied. Finally, the CRSS obtained by the MD simulations is modeled statistically using a Russel-Brown model. Then we found that an addition of the Peierls stress, which is calculated by the MD simulations, to the Russel-Brown model gives a good prediction of the CRSS.

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