ISSN:
1573-2746
Keywords:
∑ = 5 (210) [001] tilt boundary
;
structural transition
;
computer simulation
;
N-body potential
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
,
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
,
Physics
Notes:
Abstract Using interatomic potentials derived from the second moment approximation of the tight-binding scheme, we study the relative stabilities for the different structures of the ∑ = 5 (210) [001] tilt boundary in Cu and Ag. Relatively to the numerous previous studies, we obtain two new structures characterised by a larger periodicity along the tilt axis. Depending on the metal and on subtle features of the potentials, we show a very significant evolution of the relative stabilities. Using a local analysis on the different sites of the grain boundary, we link the stability of a given structure to peculiar features of the interatomic potential and to physical properties of the metal.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008783220877
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