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dc.contributor.author Paul F. en_US
dc.contributor.author Mark en_US
dc.contributor.author Martin Charles en_US
dc.contributor.author Dominik en_US
dc.contributor.author Mohamed en_US
dc.contributor.author G. Neville en_US
dc.date.accessioned 2010-01-15T12:29:02Z
dc.date.available 2010-01-15T12:29:02Z
dc.date.issued 2007-10-17 en_US
dc.identifier http://dx.doi.org/10.1088/0953-8984/19/41/415101 en_US
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_US
dc.identifier.other PURE: 143483 en_US
dc.identifier.other dspace: 2160/3991 en_US
dc.identifier.uri http://hdl.handle.net/2160/3991
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_US
dc.format.extent 41 en_US
dc.relation.ispartof Journal of Physics: Condensed Matter en_US
dc.subject PRESSURE-TEMPERATURE PHASE en_US
dc.subject INDUCED COORDINATION CHANGES en_US
dc.subject RADIAL-DISTRIBUTION FUNCTION en_US
dc.subject CALCIUM ALUMINATE LIQUIDS en_US
dc.subject X-RAY-DIFFRACTION en_US
dc.subject DIAMOND-ANVIL CELL en_US
dc.subject INTERMEDIATE-RANGE ORDER en_US
dc.subject MOLECULAR-DYNAMICS en_US
dc.subject NEUTRON-DIFFRACTION en_US
dc.subject PURE AMORPHOUS-SILICON en_US
dc.title Polyamorphism and liquid–liquid phase transitions: challenges for experiment and theory en_US
dc.contributor.pbl Materials Research en_US
dc.contributor.pbl Institute of Mathematics & Physics (ADT) en_US


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