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Predicting the formation enthalpies of binary intermetallic compounds

  • R. F. Zhang*
  • , S. H. Sheng
  • , B. X. Liu
  • *此作品的通讯作者
  • Technical University of Munich
  • Tsinghua University

科研成果: 期刊稿件文章同行评审

摘要

A model is improved for predicting the formation enthalpies of binary transition metal systems and testified by comparing with the recently reported experimental data. The predictions by the improved model are in better agreement with 362 experimental data while comparing with Miedema's theory. In addition, the predictive ability has also been addressed by comparing with ab initio calculations. A systematic analysis shows that the improved model is a reliable semi-quantitative method for predicting the formation enthalpy of intermetallic compounds with a reasonable statistical precise.

源语言英语
页(从-至)511-514
页数4
期刊Chemical Physics Letters
442
4-6
DOI
出版状态已出版 - 17 7月 2007
已对外发布

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