Atomistic and experimental study on thermal conductivity of bulk and porous cerium dioxide.

ABSTRACT: Cerium dioxide (CeO₂) is a surrogate material for traditional nuclear fuels and an essential material for a wide variety of industrial applications both in its bulk and nanometer length scale. Despite this fact, the underlying physics of thermal conductivity (k_L), a crucial design parameter in industrial applications, has not received enough attention. In this article, a systematic investigation of the phonon transport properties was performed using ab initio calculations unified with the Boltzmann transport equation. An extensive examination of the phonon mode contribution, available three-phonon scattering phase space, mode Grüneisen parameter and mean free path (MFP) distributions were also conducted. To further augment theoretical predictions of the k_L,

SUBMITTER: Malakkal L 

PROVIDER: S-EPMC6474893 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature