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Автор H M Polatoglou
Дата выпуска 1994-07-18
dc.description The Sigma =5 and 13 (001) twist boundaries in Cu<sub>3</sub>Au are studied using the constant-temperature, pressure and chemical potential difference Monte Carlo method. An N-body potential and bulk-like boundary conditions are utilized. The properties studied include the stoichiometry profile, the structure factor and the average strain of the atoms along (001). The two boundaries exhibit similar behaviour at different temperatures below the order-disorder transition. The average strain at the boundary is about 7% and diminishes rapidly, within three atomic layers. No noticeable segregation effects are observed, only a tendency of Au atoms to be depleted from the Sigma =13 boundary. Around the boundaries we find a region with lower order than the rest of the material. This region broadens as the transition temperature is approached, thus establishing the presence of wetting.
Формат application.pdf
Издатель Institute of Physics Publishing
Название A comparative study of the Sigma =5 and 13 (001) twist boundaries in Cu<sub>3</sub>Au
Тип paper
DOI 10.1088/0953-8984/6/29/004
Electronic ISSN 1361-648X
Print ISSN 0953-8984
Журнал Journal of Physics: Condensed Matter
Том 6
Первая страница 5621
Последняя страница 5630
Аффилиация H M Polatoglou; Dept. of Phys., Aristotelian Univ. of Thessaloniki, Greece
Выпуск 29

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