Vacancy migration at the {410}/[001] symmetric tilt grain boundary of MgO: An atomistic simulation study

1997 ◽  
Vol 56 (18) ◽  
pp. 11477-11484 ◽  
Author(s):  
D. J. Harris ◽  
G. W. Watson ◽  
S. C. Parker
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Vacancy Migration ◽  
Symmetric Tilt ◽  
Tilt Grain Boundary

Atomistic simulation of shear-coupled motion of [1 1 0] symmetric tilt grain boundary in α-iron

2018 ◽  
Vol 148 ◽  
pp. 141-148 ◽  
Author(s):  
Jian Yin ◽  
Yi Wang ◽  
Xiaohan Yan ◽  
Huaiyu Hou ◽  
Jing Tao Wang
Keyword(s):  
Grain Boundary ◽  
Atomistic Simulation ◽  
Coupled Motion ◽  
Symmetric Tilt ◽  
Tilt Grain Boundary

Atomistic Simulations of [001] Symmetric Tilt Boundaries in Ni3Al

1986 ◽  
Vol 81 ◽  
Author(s):  
S. P. Chen ◽  
A. F. Voter ◽  
D. J. Srolovitz
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Atomistic Simulations ◽  
Boundary Composition ◽  
Symmetric Tilt ◽  
Tilt Boundaries ◽  
Cohesive Energies

AbstractWe report a systematic atomistic simulation study of [001] symmetric tilt grain boundaries (GB) in Ni3Al, Ni, and Al. We found that the grain boundary energies and cohesive energies of Ni3Al and pure fcc Ni are approximately thesame. Grain boundary energies aid cohesive energies in Ni3Al depends stronglyon the grain boundary composition. The Al-rich boundaries have highest grain boundary energies and lowest cohesive energies. This offers an explanation for the stoichiometric effect on the boron ductilization

Atomistic investigation of the effects of symmetric tilt grain boundary structures on irradiation response of the α-Fe containing carbon in solution

2019 ◽  
Vol 166 ◽  
pp. 82-95 ◽  
Author(s):  
Seyed Mehrdad Zamzamian ◽  
Seyed Amirhossein Feghhi ◽  
Mohammad Samadfam ◽  
Maryam Darvishzadeh
Keyword(s):  
Grain Boundary ◽  
Symmetric Tilt ◽  
Tilt Grain Boundary

Excess energy of grain-boundary trijunctions: an atomistic simulation study

1999 ◽  
Vol 47 (9) ◽  
pp. 2821-2829 ◽  
Author(s):  
S.G. Srinivasan ◽  
J.W. Cahn ◽  
H. Jónsson ◽  
G. Kalonji
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Excess Energy

Effect of zinc-doping on tensile strength of Σ5 bcc Fe symmetric tilt grain boundary

2020 ◽  
Vol 171 ◽  
pp. 109204 ◽  
Author(s):  
Wangjun Peng ◽  
Hao Peng ◽  
Guangxin Wu ◽  
Jieyu Zhang
Keyword(s):  
Tensile Strength ◽  
Grain Boundary ◽  
Symmetric Tilt ◽  
Zinc Doping ◽  
Tilt Grain Boundary

Grain-boundary source/sink behavior for point defects: An atomistic simulation study

2009 ◽  
Vol 100 (4) ◽  
pp. 550-555 ◽  
Author(s):  
Paul C. Millett ◽  
Dilpuneet S. Aidhy ◽  
Tapan Desai ◽  
Simon R. Phillpot ◽  
Dieter Wolf
Keyword(s):  
Grain Boundary ◽  
Point Defects ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Boundary Source ◽  
Source Sink
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