New techniques for simulating crystals

DOI10.1080/08927020902769844MaRDI QIDQ3638586zbMATH OpenOpenAlexFDO

Authors Martin B. Sweatman

Publication date 27 October 2009

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020902769844

zbMATH Keywords

crystalsfree energyGibbs simulationMonte-Carlo simulationphase coexistence

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26) Statistical mechanics of crystals (82D25)

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Cites work

• A new simulation approach to the freezing transition
• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• Simulating Fluid–Solid Equilibrium with the Gibbs Ensemble

Cited in

(5)

• A new simulation approach to the freezing transition
• Monte Carlo calculations of the free energy of ice-like structures using the self-referential method
• The Calculation of Free-Energiesin Semiconductors: Defects, Transitionsand Phase Diagrams
• Simulating Fluid–Solid Equilibrium with the Gibbs Ensemble
• Efficient Volume Changes in Constant-Pressure Monte Carlo Simulations

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