Prediction of Crystal Structures Using a Piecewise Linear Interatomic Potential

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概要

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• As an interatomic potential of atoms, we propose a piecewise linear one which provides the best prediction of crystal structure. The potential composed of plain parameters has an enormous advantage of limiting the possible structures into a finite number of discrete ones. Its usefulness is shown by an example of two-dimensional monoatomic crystals at an absolute-temperature of zero.

• 琉球大学理学部の論文

著者

• Hosoya Masahiko

  Univ. Ryukyus Okinawa Jpn

関連論文

• Revised Helmholtz-Thevenin's Theorem to Multi-Terminal Networks
• Prediction of Crystal Structures Using a Piecewise Linear Interatomic Potential

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