Modified Nosé-Hoover thermostat for solid state for constant temperature molecular dynamics simulation

DOI10.1016/J.JCP.2011.04.030MaRDI QIDQ551059zbMATH OpenOpenAlexFDO

Authors Wen-Hwa Chen, Chun-Hung Wu, Hsien-Chie Cheng

Publication date 13 July 2011

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2011.04.030

zbMATH Keywords

\(T^{3}\)-lawcanonical ensembleconstant volume specific heatgold nanocrystalsmelting pointNosé-Hoover thermostatsolid state

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of crystals (82D25) Statistical mechanics of metals (82D35) Statistical mechanics of nanostructures and nanoparticles (82D80)

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Cites work

• Constant temperature molecular dynamics simulations of energetic particle-solid collisions: comparison of temperature control methods
• Molecular dynamics study of the mechanics of metal nanowires at finite temperature
• Molecular dynamics study on mechanics of metal nanowire
• The Nosé-Poincaré method for constant temperature molecular dynamics
• Time transformations in the extended phase-space

Cited in

(3)

• The Nosé-Poincaré method for constant temperature molecular dynamics
• Nosé-thermostated mechanical systems on the n-torus
• Constant temperature molecular dynamics simulations of energetic particle-solid collisions: comparison of temperature control methods

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