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 articleResearchpeer-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

Cite this

Wei, D., Yang, J., Jiang, M-Q., Wang, L-H., Wang, Y-J., Dyre, J., ... Harrowell, P. (2019). Assessing the utility of structure in amorphous materials. Journal of Chemical Physics, 150(114502 (2019)), [094505]. https://doi.org/10.1063/1.5064531
Wei, Dan ; Yang, Jie ; Jiang, Min-Qiang ; Wang, Lan-Hong ; Wang, Yun-Jiang ; Dyre, Jeppe ; Douglass, Ian ; Harrowell, Peter. / Assessing the utility of structure in amorphous materials. In: Journal of Chemical Physics. 2019 ; Vol. 150, No. 114502 (2019).
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Wei, D, Yang, J, Jiang, M-Q, Wang, L-H, Wang, Y-J, Dyre, J, Douglass, I & Harrowell, P 2019, 'Assessing the utility of structure in amorphous materials' Journal of Chemical Physics, vol. 150, no. 114502 (2019), 094505. https://doi.org/10.1063/1.5064531

Assessing the utility of structure in amorphous materials. / Wei, Dan; Yang, Jie; Jiang, Min-Qiang; Wang, Lan-Hong; Wang, Yun-Jiang; Dyre, Jeppe; Douglass, Ian; Harrowell, Peter.

In: Journal of Chemical Physics, Vol. 150, No. 114502 (2019), 094505, 04.03.2019.

Research output: Contribution to journalJournal articleResearchpeer-review

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T1 - Assessing the utility of structure in amorphous materials

AU - Wei, Dan

AU - Yang, Jie

AU - Jiang, Min-Qiang

AU - Wang, Lan-Hong

AU - Wang, Yun-Jiang

AU - Dyre, Jeppe

AU - Douglass, Ian

AU - Harrowell, Peter

PY - 2019/3/4

Y1 - 2019/3/4

N2 - 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.

AB - 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.

UR - http://glass.ruc.dk/pdf/articles/2019_JChemPhys_150_114502.pdf

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DO - 10.1063/1.5064531

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JO - Journal of Chemical Physics

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Wei D, Yang J, Jiang M-Q, Wang L-H, Wang Y-J, Dyre J et al. Assessing the utility of structure in amorphous materials. Journal of Chemical Physics. 2019 Mar 4;150(114502 (2019)). 094505. https://doi.org/10.1063/1.5064531