Atomistic simulations of grain boundary transformation under high pressures in MgO

2018 ◽  
Vol 532 ◽  
pp. 2-8 ◽  
Author(s):  
T. Yokoi ◽  
M. Yoshiya
Keyword(s):  
Grain Boundary ◽  
High Pressures ◽  
Atomistic Simulations

Interaction Between Lattice Dislocations and Grain Boundaries In Ordered Compounds

1990 ◽  
Vol 213 ◽  
Author(s):  
B.J. Pestman ◽  
J. Th. M. De Hosson ◽  
V. Vitek ◽  
F.W. Schapink
Keyword(s):  
Shear Stress ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Partial Dislocation ◽  
Atomistic Simulations ◽  
Many Body ◽  
Shockley Partial Dislocation ◽  
Screw Dislocations ◽  
Applied Shear Stress ◽  
Tilt Boundaries

ABSTRACTThe interaction of 1/2<1 1 0> screw dislocations with symmetric [1 1 0] tilt boundaries was investigated by atomistic simulations using many-body potentials representing ordered compounds. The calculations were performed with and without an applied shear stress. The observations were: absorption into the grain boundary, attraction of a lattice Shockley partial dislocation towards the grain boundary and transmission through the grain boundary under the influence of a shear stress. It was found that the interaction in ordered compounds shows similarities to the interaction in fcc.

Atomistic simulations of grain boundary energies in austenitic steel

2019 ◽  
Vol 54 (7) ◽  
pp. 5570-5583 ◽  
Author(s):  
Sutatch Ratanaphan ◽  
Rajchawit Sarochawikasit ◽  
Noppadol Kumanuvong ◽  
Sho Hayakawa ◽  
Hossein Beladi ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Austenitic Steel ◽  
Atomistic Simulations

Extracting grain boundary motion in Cu–Al alloy from atomistic simulations

2020 ◽  
Vol 35 (20) ◽  
pp. 2701-2708
Author(s):  
Xiaobao Li ◽  
Hanlin Sun ◽  
Yuxue Pu ◽  
Changwen Mi
Keyword(s):  
Grain Boundary ◽  
Atomistic Simulations ◽  
Al Alloy ◽  
Boundary Motion ◽  
Grain Boundary Motion

Abstract

Atomistic simulations of grain boundary migration in copper

2006 ◽  
Vol 37 (6) ◽  
pp. 1757-1771 ◽  
Author(s):  
B. Schönfelder ◽  
G. Gottstein ◽  
L. S. Shvindlerman
Keyword(s):  
Grain Boundary ◽  
Boundary Migration ◽  
Atomistic Simulations ◽  
Grain Boundary Migration
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