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Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

Aïmen E Gheribi1, Mathieu Salanne2, Patrice Chartrand1

  • 1CRCT-Centre for Research in Computational Thermochemistry, Department of Chemical Engineering,École Polytechnique, P.O. Box 6079, Station Downtown, Montréal, Québec H3C 3A7, Canada.

The Journal of Chemical Physics
|April 3, 2015
PubMed
Summary

Equilibrium molecular dynamics (EMD) simulations accurately predict the thermal transport properties of (Na,K)Cl solid solutions. This study validates EMD

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