Computer simulations of glasses: the potential energy landscape
2015 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 27, no 29, 293201- p.Article, review/survey (Refereed) Published
We review the current state of research on glasses, discussing the theoretical background and computational models employed to describe them. This article focuses on the use of the potential energy landscape (PEL) paradigm to account for the phenomenology of glassy systems, and the way in which it can be applied in simulations and the interpretation of their results. This article provides a broad overview of the rich phenomenology of glasses, followed by a summary of the theoretical frameworks developed to describe this phenomonology. We discuss the background of the PEL in detail, the onerous task of how to generate computer models of glasses, various methods of analysing numerical simulations, and the literature on the most commonly used model systems. Finally, we tackle the problem of how to distinguish a good glass former from a good crystal former from an analysis of the PEL. In summarising the state of the potential energy landscape picture, we develop the foundations for new theoretical methods that allow the ab initio prediction of the glass- forming ability of new materials by analysis of the PEL.
Place, publisher, year, edition, pages
IOP Publishing: Hybrid Open Access , 2015. Vol. 27, no 29, 293201- p.
glasses; potential energy landscape; computer simulation
IdentifiersURN: urn:nbn:se:liu:diva-120738DOI: 10.1088/0953-8984/27/29/293201ISI: 000358584800002PubMedID: 26139691OAI: oai:DiVA.org:liu-120738DiVA: diva2:848218
Funding Agencies|Swedish Foundation for Strategic Research (SSF) synergy program FUN-CASE; Swedish Research Council (VR) [621-2011-4417]; SSF program SRL [10-0026]; VR (grant) [621-2011-4426]; Ministry of Education and Science of the Russian Federation ( [14.Y26.31.0005]; Tomsk State University Academic DI Mendeleev Fund Program [220.127.116.115]2015-08-242015-08-242015-08-26