Comparative studies of the underlying local order corresponding to different radial distribution functions of disordered materials

Gergely Tóth, L. Pusztai

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We have investigated characteristics of the local symmetry, such as cosine distribution of bond angles and second-order invariants of spherical harmonics for simple disordered systems with systematically varied radial distributions. Two types of variation were used at three different packing fraction values. None of the perturbations affected the basic features, but the extent of local order changed considerably. The most significant alterations were found for the case with the lowest packing fraction. The results presented in this paper may be used as guidelines for assessing the quality of agreement between radial distribution functions from different sources, such as that of simulations and diffraction experiments.

Original languageEnglish
Pages (from-to)405-413
Number of pages9
JournalChemical Physics
Volume160
Issue number3
DOIs
Publication statusPublished - Mar 15 1992

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radial distribution
Distribution functions
distribution functions
spherical harmonics
Diffraction
perturbation
symmetry
diffraction
simulation
Experiments

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Comparative studies of the underlying local order corresponding to different radial distribution functions of disordered materials. / Tóth, Gergely; Pusztai, L.

In: Chemical Physics, Vol. 160, No. 3, 15.03.1992, p. 405-413.

Research output: Contribution to journalArticle

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