On the domain size effect of thermal conductivities from equilibrium and nonequilibrium molecular dynamics simulations
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DOI: 10.1063/1.4974884
Abstract: Equilibrium molecular dynamics (EMD) simulations with the Green-Kubo formula and nonequilibrium molecular dynamics (NEMD) simulations with the Fourier's Law are two widely used methods for calculating thermal conductivities of materials. It is well known that… read more here.
Keywords: molecular dynamics; emd simulations; size; domain size ... See more keywords