The phonon is one of the most important elementary excitation in solid system, as a gene related to the thermal properties and chemical stability of energetic materials. This paper reviews the molecular modeling methods and theoretical applications of phonon spectra for energetic crystals, and details the phonon-based investigations of lattice stability, thermal properties, vibrational spectra, and initiation mechanism. Besides, it presents a perspective on coupling mechanics, phonons, and chemical reactions, aiming to achieve deep understanding of the ignition mechanism of energetic crystals.

中文翻译：

---

高能晶体声子计算及其应用综述

声子是固体系统中最重要的基本激发之一，作为与含能材料的热性质和化学稳定性有关的基因。本文回顾了高能晶体声子光谱的分子建模方法和理论应用，并详细介绍了基于声子的晶格稳定性、热性能、振动光谱和引发机制的研究。此外，它提出了耦合力学、声子和化学反应的观点，旨在深入理解高能晶体的点火机制。