The starting state in simulations of the fluid-solid coexistence by Gibbs-Duhem integration

DOI10.1016/S0010-4655(01)00435-0MaRDI QIDQ1348014zbMATH OpenOpenAlexFDO

Authors Fernando M. S. Silva Fernandes, Rui P. S. Fartaria, Filomena F. M. Freitas

Publication date 15 May 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0010-4655(01)00435-0

zbMATH Keywords

Monte Carlo simulationphase diagramtriple pointfluid-solid coexistenceGibbs ensemble vapor-liquid calculationsGibbs-Duhem integrationLennard-Jones system

Mathematics Subject Classification ID

Stochastic analysis applied to problems in fluid mechanics (76M35) Interface problems; diffusion-limited aggregation arising in equilibrium statistical mechanics (82B24) Phase transitions (general) in equilibrium statistical mechanics (82B26) Three or more component flows (76T30)

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Cited in

(2)

• Phase coexistence and critical point of the Stell-Hemmer fluid
• Simulating Fluid–Solid Equilibrium with the Gibbs Ensemble

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