Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide.

ABSTRACT: Thermal conductivity is important for almost all applications involving heat transfer. The theory and modeling of crystalline materials is in some sense a solved problem, where one can now calculate their thermal conductivity from first principles using expressions based on the phonon gas model (PGM). However, modeling of amorphous materials still has many open questions, because the PGM itself becomes questionable when one cannot rigorously define the phonon velocities. In this report, we used our recently developed Green-Kubo modal analysis (GKMA) method to study amorphous silicon dioxide (a-SiO₂). The predicted thermal conductivities exhibit excellent agreement with experiments and anharmonic effects are included in the thermal conductivity calculation for all the modes in a-

SUBMITTER: Lv W 

PROVIDER: S-EPMC5073306 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature