Modified Nosé-Hoover thermostat for solid state for constant temperature molecular dynamics simulation
DOI10.1016/J.JCP.2011.04.030zbMath1221.82168OpenAlexW2079268943MaRDI QIDQ551059
Chun-Hung Wu, Hsien-Chie Cheng, Wen-Hwa Chen
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
canonical ensembleNosé-Hoover thermostatmelting point\(T^{3}\)-lawconstant volume specific heatgold nanocrystalssolid state
Statistical mechanics of crystals (82D25) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of metals (82D35) Statistical mechanics of nanostructures and nanoparticles (82D80)
Cites Work
- Molecular dynamics study on mechanics of metal nanowire
- The Nosé-Poincaré method for constant temperature molecular dynamics
- 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
- Time transformations in the extended phase-space
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