Deducing Phonon Scattering from Normal Mode Excitations.

ABSTRACT: While the quantum scattering theory has provided the theoretical underpinning for phonon interactions, the correspondence between the phonon modes and normal modes of vibrations has never been fully established; for example, the nature of energy exchange during elementary normal mode interactions remains largely unknown. In this work, by adopting a set of real asymmetric normal mode amplitudes, we first discriminate the normal and Umklapp processes directly from atomistic dynamics. We then demonstrate that the undulating harmonic and anharmonic potentials, which allow a number of interaction pathways, generate several total-energy-conserving forward and backward scattering events including those which are traditionally considered as quantum-forbidden. Although the normal mode energy is pro

SUBMITTER: Raj A 

PROVIDER: S-EPMC6538846 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature