Assessing the utility of structure in amorphous materials

Dan Wei, Jie Yang, Min-Qiang Jiang, Lan-Hong Wang, Yun-Jiang Wang, Jeppe Dyre, Ian Douglass, Peter Harrowell

Research output: Contribution to journalJournal articlepeer-review

Abstract

This paper presents a set of general strategies for the analysis of structure in amorphous materials and a general approach to assessing the utility of a selected structural description.
Measures of structural diversity and utility are defined and applied to two model glass forming binary atomic alloys. In addition, a new measure of incipient crystal-like organization is introduced, suitable for cases where the stable crystal is a compound structure.
Original languageEnglish
Article number094505
JournalJournal of Chemical Physics
Volume150
Issue number114502 (2019)
ISSN0021-9606
DOIs
Publication statusPublished - 4 Mar 2019

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