a-Type edge dislocation mobility in wurtzite GaN using molecular dynamics

2013 ◽  
Vol 69 (4) ◽  
pp. 311-314 ◽  
Author(s):  
N. Scott Weingarten ◽  
Peter W. Chung
Keyword(s):  
Molecular Dynamics ◽  
Edge Dislocation ◽  
Dislocation Mobility

Computer Simulation of Creation and Motion of Edge Dislocations in Face Centered Crystals

1994 ◽  
Vol 356 ◽  
Author(s):  
N. Tajima ◽  
T. Nozaki ◽  
T. Hirade ◽  
Y. Kogure ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Edge Dislocation ◽  
Embedded Atom ◽  
Small Crystals ◽  
Face Centered ◽  
Edge Dislocations

AbstractComplete and dissociated edge dislocations were created near the center of the surface (101) of aluminum small crystals whose surfaces are (111), (111), (101), (101). (121) and (121). Molecular dynamics with N-body embedded atom potentials were used. Higher stress is needed to create a complete edge dislocation than to create a dissociated dislocation.

Edge dislocation mobilities in bcc Fe obtained by molecular dynamics

2011 ◽  
Vol 84 (6) ◽  
Author(s):  
S. Queyreau ◽  
J. Marian ◽  
M. R. Gilbert ◽  
B. D. Wirth
Keyword(s):  
Molecular Dynamics ◽  
Edge Dislocation

Molecular dynamics investigation of the interaction of an edge dislocation with Frank loops in Fe–Ni10–Cr20 alloy

2015 ◽  
Vol 465 ◽  
pp. 301-310 ◽  
Author(s):  
Jean-Baptiste Baudouin ◽  
Akiyoshi Nomoto ◽  
Michel Perez ◽  
Ghiath Monnet ◽  
Christophe Domain
Keyword(s):  
Molecular Dynamics ◽  
Edge Dislocation

Interaction of Hydrogen Atom with Edge Dislocation in Pd and Ni

2018 ◽  
Vol 30 ◽  
pp. 46-51
Author(s):  
Irina V. Zorya ◽  
Gennady M. Poletaev ◽  
Mikhail D. Starostenkov
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Atom ◽  
Sorption Capacity ◽  
Edge Dislocation ◽  
Dislocation Core ◽  
Hydrogen Impurity ◽  
Hydrogen Atoms ◽  
Energy Characteristics ◽  
Method Of Molecular Dynamics ◽  
Diffusion Of Hydrogen

The energy characteristics of interaction of hydrogen impurity with ½<110> edge dislocation in Pd and Ni were calculated by the method of molecular dynamics. It is shown that the dislocation is effective trap for hydrogen. At the same time the dislocation jogs increases its sorption capacity with respect to hydrogen, but reduces the diffusion mobility of hydrogen along the dislocation. The diffusion of hydrogen atoms in the dislocation region occurs mainly along the dislocation core. The energy of hydrogen migration along the dislocation, as our calculations have shown, is almost two times lower than in a defect-free crystal.

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