Recent Progress in the Concurrent Atomistic-Continuum (CAC) Method and its Application in Phonon Transport

Abstract

This work presents recent the progress in the development of the Concurrent Atomistic-Continuum (CAC) method for coarse-grained space- and time-resolved atomistic simulations of phonon transport. Application examples, including heat pulses propagating across grain boundaries and phase interfaces, as well as the interactions between phonons and moving dislocations, are provided to demonstrate the capabilities of CAC. The simulation results provide visual evidence and reveal the underlying physics of a variety of phenomena including: phonon focusing, wave interference, dislocation drag, interfacial Kapitza resistance caused by quasi-ballistic phonon transport, etc. A new method to quantify fluxes in transient transport processes is also introduced.

References in corpus (5)

• Minimum Thermal Conductivity of Superlattices
• Molecular dynamics calculation of the thermal conductivity of vitreous silica
• Ballistic-diffusive Phonon Heat Transport across Grain Boundaries
• The origin of the distinction between microscopic formulas for stress and Cauchy stress
• Molecular Dynamics Prediction of Thermal Conductivity of GaN Films and Wires at Realistic Length Scales

Cited by in corpus (1)

• Moving window techniques to model shock wave propagation using the concurrent atomistic-continuum method