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Finite Size Effects in Determination of Thermal Conductivities: Comparing Molecular Dynamics Results With Simple Models

Finite Size Effects in Determination of Thermal Conductivities: Comparing Molecular Dynamics Results With Simple Models

Abstract The thermal conductivity of nanometric objects or nanostructured materials can be determined using nonequilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate experiment. The ā€œsampleā€ is placed between a hot source and a cold source consisting of thermostatted sets ā€¦