Abstract:
:A universally accepted explanation for why liquids sometimes vitrify rather than crystallize remains hotly pursued, despite the ubiquity of glass in our everyday lives, the utilization of the glass transition in innumerable modern technologies, and nearly a century of theoretical and experimental investigation. Among the most compelling hypothesized mechanisms underlying glass formation is the development in the fluid phase of local structures that somehow prevent crystallization. Here, we explore that mechanism in the case of hard particle glasses by examining the glass transition in an extended alchemical (here, shape) space; that is, a space where particle shape is treated as a thermodynamic variable. We investigate simple systems of hard polyhedra, with no interactions aside from volume exclusion, and show via Monte Carlo simulation that glass formation in these systems arises from a multiplicity of competing local motifs, each of which is prevalent in-and predictable from-nearby ordered structures in alchemical space.
journal_name
Nat Communjournal_title
Nature communicationsauthors
Teich EG,van Anders G,Glotzer SCdoi
10.1038/s41467-018-07977-2subject
Has Abstractpub_date
2019-01-08 00:00:00pages
64issue
1issn
2041-1723pii
10.1038/s41467-018-07977-2journal_volume
10pub_type
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