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Dynamical signatures of freezing: stable fluids, metastable fluids, and crystals

Williams, Stephen; McGlynn, Peter; Bryant, Gary James; Snook, Ian K; van Megen, William

Description

Mean squared displacements and velocity auto correlation functions are calculated using molecular dynamics for hard spheres under a range of conditions (i) for the equilibrium fluid below freezing; (ii) for the metastable fluid above freezing; and (iii) for the hard sphere crystal, both in the metastable region between freezing and melting, and in the stable region above melting. In addition, simulations are carried out for a metastable Lennard-Jones system. The results confirm recent...[Show more]

dc.contributor.authorWilliams, Stephen
dc.contributor.authorMcGlynn, Peter
dc.contributor.authorBryant, Gary James
dc.contributor.authorSnook, Ian K
dc.contributor.authorvan Megen, William
dc.date.accessioned2009-08-13T03:45:59Z
dc.date.accessioned2010-12-20T06:03:28Z
dc.date.available2009-08-13T03:45:59Z
dc.date.available2010-12-20T06:03:28Z
dc.identifier.citationPhysical Review, E, Statistical, Nonlinear and Soft Matter Physics 74.3 (2006): 031204/1-7
dc.identifier.issn1539-3755
dc.identifier.urihttp://hdl.handle.net/10440/695
dc.identifier.urihttp://digitalcollections.anu.edu.au/handle/10440/695
dc.description.abstractMean squared displacements and velocity auto correlation functions are calculated using molecular dynamics for hard spheres under a range of conditions (i) for the equilibrium fluid below freezing; (ii) for the metastable fluid above freezing; and (iii) for the hard sphere crystal, both in the metastable region between freezing and melting, and in the stable region above melting. In addition, simulations are carried out for a metastable Lennard-Jones system. The results confirm recent studies that indicated the disappearance of the classical Alder long-time tail, and show that they apply to systems other than the metastable hard sphere fluid. The implications of these results for our understanding of crystallization and the glass transition are discussed.
dc.format7 pages
dc.publisherAmerican Physical Society
dc.rightshttp://www.sherpa.ac.uk/romeo/index.php "Author can archive pre-print (ie pre-refereeing) … post-print (ie final draft post-refereeing) … [and] publisher's version/PDF. Link to publisher version … [and] Copyright notice required. Publisher's version/PDF can be used on … employers web site." - from SHERPA/RoMEO site (as at 25/02/10). ©2006 The American Physical Society
dc.sourcePhysical Review E-Statistical, Nonlinear and Soft Matter Physics
dc.source.urihttp://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PLEEE8000074000003031204000001&idtype=cvips&gifs=Yes
dc.subjectKeywords: Computer simulation; Correlation methods; Crystals; Fluid dynamics; Glass transition; Melting; Spheres; Equilibrium fluid; Hard sphere fluid; Lennard-Jones system; Freezing
dc.titleDynamical signatures of freezing: stable fluids, metastable fluids, and crystals
dc.typeJournal article
local.identifier.citationvolume74
dc.date.issued2006-09-20
local.identifier.absfor030704
local.identifier.ariespublicationu4005981xPUB10
local.type.statusPublished Version
local.contributor.affiliationWilliams, Stephen, Research School of Chemistry
local.contributor.affiliationMcGlynn, Peter, RMIT University
local.contributor.affiliationBryant, Gary James, RMIT University
local.contributor.affiliationSnook, Ian K, RMIT University
local.contributor.affiliationvan Megen, William, RMIT University
local.bibliographicCitation.issue3 (Part 1)
local.bibliographicCitation.startpage031204/1
local.bibliographicCitation.lastpage7
local.identifier.doi10.1103/PhysRevE.74.031204
dc.date.updated2015-12-08T02:58:13Z
local.identifier.scopusID2-s2.0-33748960929
CollectionsANU Research Publications

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