Length distributions in metallic alloys

Normand Mousseau, M. F. Thorpe

Research output: Contribution to journalArticle

36 Scopus citations

Abstract

We use the embedded-atom potential of Johnson to compute the length-distribution functions for a large number of fcc binary metallic alloys. From these distributions, we extract the mean lengths of the nearest-neighbor bonds, which compare well with recent extended x-ray-absorption fine-structure (EXAFS) experiments in NixAu1-x. In other cases, where EXAFS results are not available, we compare our results with the mean lattice parameter as determined by diffraction experiments. While the embedded-atom potential is accurate for some alloys (e.g., Ni-Au), we show that for alloys containing Pt, a simple central-force model is superior. The embedded-atom potential of Johnson predicts an unexpected contraction of the Au-Au distance in Ag-rich Au-Ag alloys. We point out that an important characteristic of any alloy potential is its ability to get the single and double defects correct.

Original languageEnglish (US)
Pages (from-to)2015-2022
Number of pages8
JournalPhysical Review B
Volume45
Issue number5
DOIs
StatePublished - Jan 1 1992

ASJC Scopus subject areas

  • Condensed Matter Physics

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