Molecular dynamics simulations for the prediction of thermal conductivity of bulk silicon and silicon nanowires: Influence of interatomic potentials and boundary conditions

Abstract

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Tuning thermal conductivity of nanoporous crystalline silicon by surface passivation: A molecular dynamics study

“…These values were in good agreement with NEMD results recently reported by Abs da Cruz et al [24] Note that, according to Volz and Chen [25], quantum corrections are negligible for crystalline silicon systems beyond 500 K.…”

Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics

“…A thorough comparison of the thermal conductivity calculated with different methods, different interatomic potentials, and for different materials, has been rarely discussed in the literature [26,27]. This is the purpose of the present Section.…”

Structural Engineering of Vacancy Defected Bismuth Tellurides for Thermo-electric Applications

“…conductivity is determined by using the Fourier's law. This method has been used widely for the study of the heat transfer in the nanoscale [3,4,5,6,7]. The equilibrium molecular dynamics has also been employed with success [8,9,4,6], but the comparison of the two methods is not in the scope of this article.…”