Determining characteristic principal clusters in the "cluster-plus- glue-atom" model

Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)

Abstract

The "cluster-plus-glue-atom" model can easily describe the structure of complex metallic alloy phases. However, the biggest obstacle limiting the application of this model is that it is difficult to determine the characteristic principal cluster. In the case when interatomic force constants (IFCs) inside the cluster lead to stronger interaction than the interaction between the clusters, a new rule for determining the characteristic principal cluster in the "cluster-plus-glue-atom" model has been proposed on the basis of IFCs. To verify this new rule, the alloy phases in Cu-Zr and Al-Ni-Zr systems have been tested, and our results indicate that the present new rule for determining characteristic principal clusters is effective and reliable.

Original languageEnglish
Pages (from-to)113-121
Number of pages9
JournalActa Materialia
Volume75
DOIs
Publication statusPublished - 2014 Aug 15

Keywords

  • "Cluster-plus-glue-atom" model
  • Interatomic force constants
  • Principal cluster

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys

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