Boundary Condition Effect in MD Simulation : A Case of the α→β Phase Transition in Superionic Conductor Ag_2Se
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概要
- 論文の詳細を見る
The low temperature phase transition in Ag_2Se is investigated for various sizes of the system by means of a molecular dynamics simulation. It is confirmed that the correct structure of the low temperature phase is orthorhombic and belongs to Pmnb space group. In order to transform successfully to the low temperature phase, it is necessary that more than one MD cell vector is composed of even number times bcc unit cell vector in the superionic phase.
- 社団法人日本物理学会の論文
- 1993-01-15
著者
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Shimojo Fuyuki
Graduate School Of Science And Technology Kumamoto University
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Shimojo Fuyuki
Graduate School Of Science And Technology Niigata University
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Okazaki Hideo
College Of General Education Niigata University
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Okazaki Hideo
College Of General Education Niigat University
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