Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation.
about
How van der Waals interactions determine the unique properties of waterThermodynamics of freezing and meltingImproved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton-graphite system.Premelting, solid-fluid equilibria, and thermodynamic properties in the high density region based on the Lennard-Jones potential.Crystallization tendencies of modelled Lennard-Jones liquids with different attractions.Free-energy barriers for crystal nucleation from fluid phases.Freezing and melting line invariants of the Lennard-Jones system.Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line.On the determination of phase boundaries via thermodynamic integration across coexistence regions.Explaining why simple liquids are quasi-universal.Extensions of the interfacial pinning method and application to hard core systems.Mapping coexistence lines via free-energy extrapolation: application to order-disorder phase transitions of hard-core mixtures.
P2860
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P2860
Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
Direct calculation of the soli ...... single equilibrium simulation.
@en
Direct calculation of the soli ...... single equilibrium simulation.
@nl
type
label
Direct calculation of the soli ...... single equilibrium simulation.
@en
Direct calculation of the soli ...... single equilibrium simulation.
@nl
prefLabel
Direct calculation of the soli ...... single equilibrium simulation.
@en
Direct calculation of the soli ...... single equilibrium simulation.
@nl
P2860
P356
P1476
Direct calculation of the soli ...... single equilibrium simulation.
@en
P2860
P304
P356
10.1063/1.4818747
P407
P577
2013-09-01T00:00:00Z