| Abstract Scope |
Computational materials physics is now playing an increasingly important role in developing fundamental insights into the lattice thermal conductivity of solids, a fundamentally important parameter that determines the utility of a material for energy-related applications including thermoelectricity, nuclear power generation, heat dissipation and manipulation, and thermal analogs to electronic components.
Here I will discuss how predictive first principles Peierls-Boltzmann transport calculations can guide our understanding of lattice behaviors and thermal transport via comparison with measured observables. In particular, I will highlight work related to ultrahigh and ultralow thermal conductivity extremes, and the relationships of mode-dependent phonon properties (e.g., lifetimes, mean free paths, etc.) in determining transport – all in the context of theory/experiment interactions.
L.L. acknowledges support from the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. |