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

DOI10.1016/S0010-4655(01)00435-0zbMATH Open0997.76071OpenAlexW2024823212MaRDI QIDQ1348014

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

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 simulationtriple pointphase diagramfluid-solid coexistenceGibbs ensemble vapor-liquid calculationsGibbs-Duhem integrationLennard-Jones system

Mathematics Subject Classification ID

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

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