Local atomic arrangements of pd-based bulk metallic glasses of the metal-metalloid type demonstrated by molecular dynamics simulations

Akira Takeuchi, Akihisa Inoue

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics (MD) simulations based on a plastic crystal model (PCM) were performed for a Pd0.4Ni0.4P0.2 alloy in Metal-Metalloid (M-MLD) type of bulk metallic glass (BMG). Two kinds of clusters of cubeoctahedron capped with four half-octahedra and trigonal prism were used as initial atomic arrangements of the Pd0.4Ni0.4P 0.2 alloy. Random rotations of clusters around their centers of gravity and subsequent structural relaxation vitrified the alloy. The high glass-forming ability of the Pd0.4Ni0.4P0.2 alloy is due to the critically-percolated, cluster-packed structure that is a universal feature for both M-MLD and M-M types of BMGs.

Original languageEnglish
Title of host publicationPRICM7
PublisherTrans Tech Publications Ltd
Pages1038-1041
Number of pages4
ISBN (Print)0878492550, 9780878492558
DOIs
Publication statusPublished - 2010 Jan 1
Event7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7 - Cairns, QLD, Australia
Duration: 2010 Aug 22010 Aug 6

Publication series

NameMaterials Science Forum
Volume654-656
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752

Other

Other7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7
CountryAustralia
CityCairns, QLD
Period10/8/210/8/6

Keywords

  • Cluster
  • Metallic glass
  • Molecular dynamics simulation
  • Percolation
  • Plastic crystal

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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