Self-diffusion in high-angle fcc metal grain boundaries by molecular dynamics simulation

1999 ◽  
Vol 79 (11) ◽  
pp. 2735-2761 ◽  
Author(s):  
P. Keblinski ◽  
D. Wolf ◽  
S. R. Phillpot ◽  
H. Gleiter
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Grain Boundaries ◽  
Dynamics Simulation ◽  
High Angle ◽  
Self Diffusion ◽  
Fcc Metal

scholarly journals FEATURES OF THE Σ5 AND Σ9 GRAIN BOUNDARIES MIGRATION IN BCC AND FCC METALS UNDER SHEAR LOADING – A MOLECULAR DYNAMICS STUDY

2017 ◽  
Vol 15 (2) ◽  
pp. 285
Author(s):  
Andrey I. Dmitriev ◽  
Anton Yu. Nikonov
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Grain Boundaries ◽  
Shear Loading ◽  
External Stress ◽  
Dynamics Simulation ◽  
Fcc Metals ◽  
Symmetrical Tilt ◽  
Fcc Metal

Molecular dynamics simulation of metallic bicrystals has been carried out to investigate the behavior of the symmetrical tilt grain boundaries under shear loading. Σ5 and Σ9 grain boundaries in Ni and α-Fe were analyzed. It is found that behavior of the defect depends not only on the structure of boundaries but also on the type of crystal lattice. In particular it is shown that under external stress the grain boundary (GB) behaves differently in the BCC and FCC metal. A comparison of the values of displacement of various types of GB due to their migration caused by shear deformation is carried out. The results can help us to understand the features of the plastic deformation development in nanoscale polycrystals under shear loading.

scholarly journals Self-diffusion of Fe and Pt in L1-Ordered FePt: Molecular Dynamics simulation

2021 ◽  
Vol 192 ◽  
pp. 110337
Author(s):  
S.I. Konorev ◽  
R. Kozubski ◽  
M. Albrecht ◽  
I.A. Vladymyrskyi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Self Diffusion
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