Some Viewpoints on the Simulation Research of Energetic Materials under Extreme Conditions

Energetic materials are widely used in military, civilian, aerospace and various other fields, and their physicochemical properties will change significantly under extreme conditions. It is of great significance to predict and optimize the performance of energetic materials through simulation research, including performance prediction, optimal design, safety assessment, cost and efficiency control, etc. This article reviews the research background, basic properties, methods of simulation research and progress, key issues and related experimental research progress of energetic materials under extreme conditions. Among them, simulation methods such as quantum mechanics, molecular dynamics, Monte Carlo and the finite element method and their research progress are introduced in detail, the key issues in simulation research under extreme conditions such as high pressure, high temperature, laser action and interface effect are elaborated, and the experimental research progress of energetic materials in impact sensitivity, chemical energy release law, 3D printing, green electro-synthesis, detonation mechanism and the synthesis of ultra-high energy materials is listed. By selecting representative research, the applications and solutions of simulation research in practical problems are demonstrated. At the same time, some of the latest research results are introduced to reflect the latest progress and future trends in this field. In addition, the implementation methods of interdisciplinary research and the safety issues of energetic materials under extreme conditions are discussed in detail, including possible risks and preventive measures.