Repulsion-Induced Order Formation in Graphite-Diamondlike Transition of Boron Nitride: A Molecular Dynamics Study
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- Koga Hiroaki
- Department of Materials Engineering, Graduate School of Engineering, The University of Tokyo CREST, Japan Science and Technology Corporation
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- Nakamura Yoshimichi
- Department of Materials Engineering, Graduate School of Engineering, The University of Tokyo CREST, Japan Science and Technology Corporation
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- Watanabe Satoshi
- Department of Materials Engineering, Graduate School of Engineering, The University of Tokyo CREST, Japan Science and Technology Corporation
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Abstract
Repulsion-induced order formation is shown to be crucial to the occurrence of the transition from rhombohedral boron nitride (rBN) to cubic boron nitride (cBN), by performing molecular dynamics simulations. Due to the repulsion among B (N), a face-centered-cubic (fcc) lattice of B (N) is formed under compression. This restores the stacking sequence of basal planes, which is disordered during the compression. The fcc lattice directly becomes the fcc lattice of cBN. These results imply the possibility of controlling the transition by controlling the repulsion.
Journal
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 72 (7), 1611-1614, 2003
THE PHYSICAL SOCIETY OF JAPAN
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Details 詳細情報について
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- CRID
- 1390282679164537344
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- NII Article ID
- 210000104294
- 110001954585
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- NII Book ID
- AA00704814
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- BIBCODE
- 2003JPSJ...72.1611K
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- ISSN
- 13474073
- 00319015
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- NDL BIB ID
- 6606720
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed