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Updated: Mar 9, 2026

Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
Thermal conductivity of single-layer WSe2 by a Stillinger-Weber potential
Payam Norouzzadeh1, David J Singh1
1Department of Physics and Astronomy, University of Missouri-Columbia, Columbia, MO 65211-7010, United States.
None:
In this study, we present the parameters of the Stillinger-Weber (SW) potential for single-layer WSe2 and calculate its in-plane thermal conductivity using a reverse non-equilibrium molecular dynamics simulation. The parameters are fitted to the phonon dispersion curves from literature density functional perturbation theory and experimental structural properties. The set reproduces the phonon dispersion well. The in-plane thermal conductivity of single-layer WSe2 and its dependency on sample length and temperature are calculated and the results are in good agreement with experimental values. Our developed SW-type potential facilitates further investigations on thermal, mechanical and other properties of WSe2.
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