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 language | English |
|---|---|
| Pages (from-to) | 33-40 |
| Number of pages | 8 |
| Journal | Progress of Theoretical Physics Supplement |
| Issue number | 178 |
| Publication status | Published - 2009 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Disappearance of a stacking fault in hard-sphere crystals under gravity
AU - Mori, Atsushi
AU - Suzuki, Yoshihisa
AU - Matsuo, Shigeki
PY - 2009
Y1 - 2009
N2 - 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.
AB - 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.
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M3 - Article
SP - 33
EP - 40
JO - Progress of Theoretical Physics
JF - Progress of Theoretical Physics
SN - 0033-068X
IS - 178
ER -