Grain boundary and lattice diffusion in nanocrystal α-iron: An atomistic simulation study

2017 ◽  
Vol 482 ◽  
pp. 56-64 ◽  
Author(s):  
Roghayeh Mohammadzadeh ◽  
Mina Mohammadzadeh
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Lattice Diffusion

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

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

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

An atomistic simulation study of nanoscale sintering: The role of grain boundary misorientation

2019 ◽  
Vol 165 ◽  
pp. 180-189 ◽  
Author(s):  
Jesse M. Sestito ◽  
Fadi Abdeljawad ◽  
Tequila A.L. Harris ◽  
Yan Wang ◽  
Allen Roach
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Boundary Misorientation ◽  
Grain Boundary Misorientation

Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study

Calphad ◽  
2021 ◽  
Vol 74 ◽  
pp. 102317
Author(s):  
Won-Mi Choi ◽  
Jin-Soo Kim ◽  
Won-Seok Ko ◽  
Dong Geun Kim ◽  
Yong Hee Jo ◽  
...  
Keyword(s):  
Simulation Study ◽  
Atomistic Simulation ◽  
Computational Design ◽  
High Entropy Alloys ◽  
High Entropy
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