Volume distribution of empty regions in disordered structures

Vittorio Rosato, Pier Giuseppe Gabrielli

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3 Citations (Scopus)

Abstract

We have developed a numerical technique which allows to determine the volume distribution of empty regions and interstitial regions in disordered systems once the coordinates of the point particles are known. The proposed scheme consists of three main tasks: (1) association of a hard-sphere radius to each particle of the system; (2) determination of elemental spherical regions, filling the free volume of the system, with a random search method; (3) percolation of the elemental spherical regions which are connected (or lie very close to each other). The proposed technique has been applied to study disordered structures (Pd and Ni3Al in their liquid and amorphous phases). Results indicates significant differences in the volume distribution of empty regions in the liquid and amorphous structures. © 1995.
Original languageEnglish
Pages (from-to)359 - 367
Number of pages9
JournalComputational Materials Science
Volume3
Issue number3
DOIs
Publication statusPublished - 1995
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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