Fluctuations in molecular dynamics simulations

DOI10.1016/J.MATCOM.2009.03.012MaRDI QIDQ975008zbMATH OpenOpenAlexDBLPWikidataFDO

Authors J. J. Hoyt, Z. T. Trautt, Mudita Upmanyu

Publication date 8 June 2010

Published in Mathematics and Computers in Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.matcom.2009.03.012

zbMATH Keywords

fluctuationsmobilityinterfacesmolecular dynamicsgrain boundariesinterfacial free energy

Mathematics Subject Classification ID

Interface problems; diffusion-limited aggregation arising in equilibrium statistical mechanics (82B24) Interface problems; diffusion-limited aggregation in time-dependent statistical mechanics (82C24) Dynamics of random walks, random surfaces, lattice animals, etc. in time-dependent statistical mechanics (82C41)

Recommendations

• Thermodynamic theory of equilibrium fluctuations
• Introduction to molecular dynamics simulation
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• scientific article; zbMATH DE number 6123611
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Cites work

• Phase field model of premelting of grain boundaries
• Quantitative phase-field modeling of dendritic growth in two and three dimensions

Cited in

(2)

• Ab Initio Path Integral Simulations of Floppy Molecular Systems
• Thermodynamic theory of equilibrium fluctuations

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