Quantum master equation approach for the multiphonon up-pumping model

TL;DR

This paper introduces a quantum master equation model to analyze coherent energy transfer in energetic materials under shock, revealing mode-specific effects of phonon environments and energy modulation possibilities.

Contribution

It develops a novel quantum master equation approach to describe multiphonon up-pumping and energy transfer mechanisms in energetic materials subjected to external shocks.

Findings

Doorway modes experience distinct coherent driving and dissipation.

Modes can extract energy from the phonon environment and excite higher vibrational modes.

The model clarifies the microscopic origin of coherent phonon generation.

Abstract

A fully quantum multiphonon up-pumping model is proposed to characterize coherent energy transfer in energetic materials (EMs) subjected to external shock. After eliminating the degrees of freedom of the phonon bath within a mean-field approximation, we derive a quantum master equation governing the energy transfer among vibrational modes. Our analysis reveals that doorway modes of different frequencies undergo distinct levels of effective coherent driving and dissipation, induced by the shocked phonon environment. This not only clarifies the microscopic origin of coherent phonon generation, but also reveals the possibility of modulating such coherent driving and dissipation. Based on numerical simulations of a simplified model using the master equation, we demonstrate how doorway modes extract energy from the phonon environment and subsequently excite higher-frequency molecular vibrational modes. This work offers a renewed perspective for understanding the mechanisms of energy transfer in energetic materials.