Molecular-dynamics simulation of thermal conductivity in amorphous silicon
Physical review. B, Condensed matter1991Vol. 43(8), pp. 6573–6580
Citations Over TimeTop 10% of 1991 papers
Abstract
The temperature-dependent thermal conductivity \ensuremath{\kappa}(T) of amorphous silicon has been calculated from equilibrium molecular-dynamics simulations using the time correlations of the heat flux operator in which anharmonicity is explicitly incorporated. The Stillinger-Weber two- and three-body Si potential and the Wooten-Weaire-Winer a-Si model were utilized. The calculations correctly predict an increasing thermal conductivity at low temperatures (below 400 K). The \ensuremath{\kappa}(T), for T>400 K, is affected by the thermally generated coordination-defect states. Comparisons to both experiment and previous calculations will be described.
Related Papers
- → Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution(2020)204 cited
- → Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics(2022)24 cited
- → Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics(2021)4 cited
- → Anharmonicity Dependent Heat Conduction in One-Dimensional Lattices(2013)2 cited
- → Temperature Dependent Thermal Conductivity of Graphene Nanoribbon (GNR) for Different Interatomic Potentials: An Equilibrium Molecular Dynamics Study(2019)1 cited