Fluctuations in molecular dynamics simulations

DOI10.1016/J.MATCOM.2009.03.012zbMATH Open1191.82034DBLPjournals/mcs/HoytTU10OpenAlexW2000075798WikidataQ60022992 ScholiaQ60022992MaRDI QIDQ975008FDOQ975008

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

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

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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)

Cites Work

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

Cited In (2)

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

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