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Energy minimization mechanisms of semi-coherent interfaces
Shao, Shuai ;
Wang
,
J
. ; Misra, Amit
Journal of applied physics, 2014-07, Vol.116 (2)
[Periódico revisado por pares]
Melville: American Institute of Physics
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Título:
Energy minimization mechanisms of semi-coherent interfaces
Autor:
Shao, Shuai
;
Wang
,
J
.
;
Misra, Amit
Assuntos:
Applied physics
;
Coherence
;
COMPRESSION
;
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
;
Crystal structure
;
CRYSTALS
;
Dilation
;
DISLOCATIONS
;
Energy conservation
;
Face centered cubic lattice
;
FCC LATTICES
;
INTERFACES
;
Intersections
;
MINIMIZATION
;
Misfit dislocations
;
Nodes
;
Optimization
;
ROTATION
;
SIMULATION
;
Stacking fault energy
;
STACKING FAULTS
É parte de:
Journal of applied physics, 2014-07, Vol.116 (2)
Descrição:
In this article, we discussed energy minimization mechanisms of semi-coherent interfaces based on atomistic simulations and dislocation theory. For example, of {111} interfaces between two face centered cubic (FCC) crystals, interface comprises of two stable structures (normal FCC stacking structure and intrinsic stacking fault structure), misfit dislocations, and misfit dislocation intersections or nodes (corresponding to the high energy stacking fault (HESF) structure). According to atomistic simulations of four interfaces, we found that (1) greater spacing between misfit dislocations and/or larger slopes of generalized stacking fault energy at the stable interface structures leads to a narrower dislocation core and a higher state of coherency in the stable interfaces; (2) the HESF region is relaxed by the relative rotation and dilation/compression of the two crystals at the node. The crystal rotation is responsible for the spiral feature at the vicinity of a node and the dilation/compression is responsible for the creation of the free volume at a node; (3) the spiral feature is gradually frail and the free volume decreases with decreasing misfit dislocation spacing, which corresponds to an increase in lattice mismatch and/or a decrease in lattice rotation. Finally, the analysis method and energy minimization mechanisms explored in FCC {111} semi-coherent interfaces are also applicable for other semi-coherent interfaces.
Editor:
Melville: American Institute of Physics
Idioma:
Inglês
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