Determination of the melting point of hard spheres from direct coexistence simulation methods.
about
Estimating errors in free energy calculations from thermodynamic integration using fitted data.The role of fivefold symmetry in suppressing crystallization.Fluid-solid transition in hard hypersphere systems.The microscopic pathway to crystallization in supercooled liquids.The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.Free energy calculations for molecular solids using GROMACS.Two-phase simulation of the crystalline silicon melting line at pressures from -1 to 3 GPa.On fluid-solid direct coexistence simulations: the pseudo-hard sphere model.Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound.Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model.Viscoelastic flow past mono- and bidisperse random arrays of cylinders: flow resistance, topology and normal stress distribution.Melting point trends and solid phase behaviors of model salts with ion size asymmetry and distributed cation charge.Thermodynamics of star polymer solutions: A coarse-grained study.Thermodynamics and simulation of hard-sphere fluid and solid: Kinetic Monte Carlo method versus standard Metropolis scheme.Crystallization tendencies of modelled Lennard-Jones liquids with different attractions.Phase behaviour and gravity-directed self assembly of hard convex spherical caps.Nested sampling for materials: the case of hard spheres.Structure of a tractable stochastic mimic of soft particles.A parameter-free, solid-angle based, nearest-neighbor algorithm.Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route.Communication: equation of state of hard oblate ellipsoids by replica exchange Monte Carlo.Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method.Replica exchange Monte Carlo applied to hard spheres.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.The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase.
P2860
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P2860
Determination of the melting point of hard spheres from direct coexistence simulation methods.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Determination of the melting p ...... oexistence simulation methods.
@en
Determination of the melting p ...... oexistence simulation methods.
@nl
type
label
Determination of the melting p ...... oexistence simulation methods.
@en
Determination of the melting p ...... oexistence simulation methods.
@nl
prefLabel
Determination of the melting p ...... oexistence simulation methods.
@en
Determination of the melting p ...... oexistence simulation methods.
@nl
P2860
P356
P1476
Determination of the melting p ...... oexistence simulation methods.
@en
P2093
Enrique de Miguel
P2860
P304
P356
10.1063/1.2901172
P407
P577
2008-04-01T00:00:00Z