2 research outputs found
Thermal conductivity of strained silicon: molecular dynamics insight and kinetic theory approach
In this work, we investigated tensile and compression forces effect on the
thermal conductivity of silicon. We used equilibrium molecular dynamics
approach for the evaluation of thermal conductivity considering different
interatomic potentials. More specifically, we tested Stillinger-Weber, Tersoff,
Environment-Dependent Interatomic Potential and Modified Embedded Atom Method
potentials for the description of silicon atom motion under different strain
and temperature conditions. Additionally, we extracted phonon density of states
and dispersion curves from molecular dynamics simulations. These data were used
for direct calculations of thermal conductivity considering the kinetic theory
approach. Comparison of molecular dynamics and kinetic theory simulations
results as a function of strain and temperature allowed us to investigate the
different factors affecting the thermal conductivity of strained silicon