Dislocation core structure and motion in pure titanium and titanium alloys: A first-principles study

2022 ◽  
Vol 203 ◽  
pp. 111081
Author(s):  
Tomohito Tsuru ◽  
Mitsuhiro Itakura ◽  
Masatake Yamaguchi ◽  
Chihiro Watanabe ◽  
Hiromi Miura
Keyword(s):  
Titanium Alloys ◽  
First Principles ◽  
Pure Titanium ◽  
Dislocation Core ◽  
Core Structure ◽  
First Principles Study ◽  
Structure And Motion ◽  
Dislocation Core Structure

Edge dislocation core structure in lamellar smectic-A liquid crystals

Soft Matter ◽  
2010 ◽  
Vol 6 (6) ◽  
pp. 1117 ◽  
Author(s):  
Nasser Mohieddin Abukhdeir ◽  
Alejandro D. Rey
Keyword(s):  
Liquid Crystals ◽  
Edge Dislocation ◽  
Dislocation Core ◽  
Core Structure ◽  
Smectic A ◽  
Dislocation Core Structure ◽  
Smectic A Liquid Crystals

Effect of elastic center on dislocation core structure in Ni3Al

1997 ◽  
Vol 45 (3) ◽  
pp. 1005-1008 ◽  
Author(s):  
Mao Wen ◽  
Dongliang Lin
Keyword(s):  
Dislocation Core ◽  
Core Structure ◽  
Dislocation Core Structure

scholarly journals Unraveling the dislocation core structure at a van der Waals gap in bismuth telluride

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
D. L. Medlin ◽  
N. Yang ◽  
C. D. Spataru ◽  
L. M. Hale ◽  
Y. Mishin
Keyword(s):  
Bismuth Telluride ◽  
Van Der Waals ◽  
Dislocation Core ◽  
Core Structure ◽  
Dislocation Core Structure

Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials

2012 ◽  
Vol 606 (21-22) ◽  
pp. 1728-1738 ◽  
Author(s):  
Lixin Zhang ◽  
W.E. McMahon ◽  
Y. Liu ◽  
Y. Cai ◽  
M.H. Xie ◽  
...  
Keyword(s):  
Dislocation Core ◽  
Core Structure ◽  
Misfit Dislocations ◽  
Dislocation Core Structure

Simple Flexible Boundary Conditions for the Atomistic Simulation of Dislocation Core Structure and Motion

1992 ◽  
Vol 291 ◽  
Author(s):  
Roberto Pasianot ◽  
Eduardo J. Savino ◽  
Zhao-Yang Xie ◽  
Diana Farkas
Keyword(s):  
Atomistic Simulation ◽  
Dislocation Line ◽  
Dislocation Core ◽  
Dislocation Motion ◽  
Peierls Stress ◽  
Rigid Boundary ◽  
The Past ◽  
Structure And Motion ◽  
Linear Effects ◽  
Dislocation Core Structure

ABSTRACTFlexible boundary codes for the atomistic simulation of dislocations and other defects have been developed in the past mainly by Sinclair [1], Gehlen et al.[2], and Sinclair et al.[3]. These codes permitted the use of smaller atomic arrays than rigid boundary codes, gave descriptions of core non-linear effects and allowed fair assessments of the Peierls stress for dislocation motion. Green functions (continuum or discrete) or surface traction forces were used to relax the boundary atoms.A much simpler approach is followed here. Core and mobility effects at the boundary are accounted for by a dipole tensor centered at the dislocation line, whose components constitute six more parameters of the minimization process. Results are presented for [100] dislocations in NiAl. It is shown that, within the limitations of the technique, reliable values of the Peierls stress are obtained.

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