Nonequilirium Molecular Dynamics Methods for Lattice Heat Conduction Calculations
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منابع مشابه
Molecular Dynamics Simulations of Shocks including Electronic Heat Conduction and Electron-phonon Coupling
Shocks are often simulated using the classical molecular dynamics (MD) method in which the electrons are not included explicitly and the interatomic interaction is described by an effective potential. As a result, the fast electronic heat conduction in metals and the coupling between the lattice vibrations and the electronic degrees of freedom can not be represented. Under conditions of steep t...
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