Disappearance of a stacking fault in hard-sphere crystals under gravity

Atsushi Mori, Yoshihisa Suzuki, Shigeki Matsuo

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In the first part of this paper, a review is given on the mechanism for the disappearance of an intrinsic stacking fault in a hard-sphere (HS) crystal under gravity, which we recently discovered by Monte Carlo (MC) simulations [A. Mori et al., J. Chem. Phys. 124 (2006), 17450; Mol. Phys. 105 (2007), 1377]. We have observed, in the case of fee (001) stacking, that the intrinsic stacking fault running along an oblique direction shrunk through the gliding of a Shockley partial dislocation at the lower end of the stacking fault. In order to address the shortcomings and approximations of previous simulations, such as the use of periodic boundary condition (PBC) and the fact that the fee (001) stacking had been realized by the stress from the small PBC box, we present an elastic strain energy calculation for an infinite system and a MC simulation result for HSs in a pyramidal pit under gravity. In particular, the geometry of the latter has already been tested experimentally [S. Matsuo et al., Appl. Phys. Lett. 82 (2003), 4283]. The advantage of using a pyramidal pit as a template as well as the feasibility of the mechanism we describe is demonstrated.

Original languageEnglish
Pages (from-to)33-40
Number of pages8
JournalProgress of Theoretical Physics Supplement
Issue number178
Publication statusPublished - 2009
Externally publishedYes

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crystal defects
gravitation
boundary conditions
crystals
gliding
simulation
boxes
templates
geometry
approximation
energy

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Disappearance of a stacking fault in hard-sphere crystals under gravity. / Mori, Atsushi; Suzuki, Yoshihisa; Matsuo, Shigeki.

In: Progress of Theoretical Physics Supplement, No. 178, 2009, p. 33-40.

Research output: Contribution to journalArticle

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