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Review: Understanding the properties of amorphous materials with high-performance computing methods

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posted on 2023-10-26, 12:50 authored by Jamieson ChristieJamieson Christie

Amorphous materials have no long-range order in their atomic structure. This makes much of the formalism for the study of crystalline materials irrelevant, and so elucidating their structure and properties is challenging. The use of computational methods is a powerful complement to experimental studies, and in this paper we review the use of high-performance computing methods in the simulation of amorphous materials. Five case studies are presented to showcase the wide range of materials and computational methods available to practitioners in this field. 

This article is part of a discussion meeting issue 'Supercomputing simulations of advanced materials'.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volume

381

Issue

2250

Publisher

The Royal Society

Version

  • VoR (Version of Record)

Rights holder

© The Authors

Publisher statement

Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.

Acceptance date

2023-03-20

Publication date

2023-07-10

Copyright date

2023

ISSN

1364-503X

eISSN

1471-2962

Language

  • en

Depositor

Dr Jamieson Christie. Deposit date: 25 October 2023

Article number

20220251

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