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dc.contributor.author McMillan, Paul F.
dc.contributor.author Wilson, Mark
dc.contributor.author Wilding, Martin Charles
dc.contributor.author Daisenberger, Dominik
dc.contributor.author Mezouar, Mohamed
dc.contributor.author Greaves, G. Neville
dc.date.accessioned 2010-01-15T12:29:02Z
dc.date.available 2010-01-15T12:29:02Z
dc.date.issued 2007-10-17
dc.identifier.citation McMillan , P F , Wilson , M , Wilding , M C , Daisenberger , D , Mezouar , M & Greaves , G N 2007 , ' Polyamorphism and liquid–liquid phase transitions: challenges for experiment and theory ' Journal of Physics: Condensed Matter , vol 19 , no. 41 , 415101 . , 10.1088/0953-8984/19/41/415101 en
dc.identifier.issn 0953-8984
dc.identifier.other PURE: 143483
dc.identifier.other dspace: 2160/3991
dc.identifier.uri http://hdl.handle.net/2160/3991
dc.description McMillan, P. F., Wilson, M., Wilding, M. C., Daisenberger, D., Mezouar, M., Greaves, N. (2007) Polyamorphism and liquid–liquid phase transitions: challenges for experiment and theory. Journal of Physics: Condensed Matter, 19, pp. 1-41 This paper is presented as a contribution to the conference on 'Current Challenges in Liquid and Glass Science' held in Abingdon, UK, January 10–12, 2007 in honour of Spencer Howells. Sponsorship: US-NSF, EPSRC, UCL, RI, UW Aberystwyth en
dc.description.abstract Phase transitions in the liquid state can be related to pressure-driven fluctuations developed in the density (i.e., the inverse of the molar volume; ρ = 1/V) or the entropy (S(T )) rather than by gradients in the chemical potential (μ(X), where X is the chemical composition). Experiments and liquid simulation studies now show that such transitions are likely to exist within systems with a wide range of chemical bonding types. The observations permit us to complete the trilogy of expected liquid state responses to changes in P and T as well as μ(X), as is the case among crystalline solids. Large structure–property changes occurring within non-ergodic amorphous solids as a function of P and T are also observed, that are generally termed ‘polyamorphism’. The polyamorphic changes can map on to underlying density- or entropy-driven L–L transitions. Studying these phenomena poses challenges to experimental studies and liquid simulations. Experiments must be carried out over a wide P–T range for in situ structure–property determinations, often in a highly metastable regime. It is expected that L–L transitions often occur below the melting line, so that studies encounter competing crystallization phenomena. Simulation studies of liquid state polyamorphism must involve large system sizes, and examine system behaviour at low T into the deeply supercooled regime, with distance and timescales long enough to sample characteristic density/entropy fluctuations. These conditions must be achieved for systems with different bonding environments, that can change abruptly across the polyamorphic transitions. Here we discuss opportunities for future work using simulations combined with neutron and x-ray amorphous scattering techniques, with special reference to the behaviour of two polyamorphic systems: amorphous Si and supercooled Y2O3–Al2O3 liquids. en
dc.format.extent 41 en
dc.language.iso eng
dc.relation.ispartof Journal of Physics: Condensed Matter en
dc.subject PRESSURE-TEMPERATURE PHASE en
dc.subject INDUCED COORDINATION CHANGES en
dc.subject RADIAL-DISTRIBUTION FUNCTION en
dc.subject CALCIUM ALUMINATE LIQUIDS en
dc.subject X-RAY-DIFFRACTION en
dc.subject DIAMOND-ANVIL CELL en
dc.subject INTERMEDIATE-RANGE ORDER en
dc.subject MOLECULAR-DYNAMICS en
dc.subject NEUTRON-DIFFRACTION en
dc.subject PURE AMORPHOUS-SILICON en
dc.title Polyamorphism and liquid–liquid phase transitions: challenges for experiment and theory en
dc.type Text en
dc.type.publicationtype Article (Journal) en
dc.identifier.doi http://dx.doi.org/10.1088/0953-8984/19/41/415101
dc.contributor.institution Materials Research en
dc.contributor.institution Institute of Mathematics & Physics (ADT) en
dc.description.status Peer reviewed en


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