First-Principles Calculation of L10-Disorder Transition Temperature for Au-Pd Alloy

T. Mohri, S. Takizawa, K. Terakura

研究成果: Article査読

16 被引用数 (Scopus)

抄録

The first-principles calculation is attempted for Au-Pd phase diagram in the vicinity of equi-atomic composition. The obtained transition temperature is about 350 K, for which experimental data scatter significantly. The transition seems to be of a second order below 40 at.% of Pd, which is most probably caused by a fairly big contribution of the multi-body interaction energy. Also a serious doubt is cast on the existing phase diagrams near the 1:3 and 3:1 composition.

本文言語English
ページ(範囲)315-316
ページ数2
ジャーナルMaterials Transactions, JIM
31
4
DOI
出版ステータスPublished - 1990

ASJC Scopus subject areas

  • Engineering(all)

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