极端条件下含能材料的模拟研究思考

姬广富

doi:10.11858/gywlxb.20240911

极端条件下含能材料的模拟研究思考

doi: 10.11858/gywlxb.20240911

姬广富

中国工程物理研究院流体物理研究所冲击波物理与爆轰物理全国重点实验室, 四川绵阳　621999

详细信息

作者简介:
姬广富（1963－），男，博士，研究员，主要从事凝聚态化学与物理研究. E-mail：cyfjkf@caep.cn

中图分类号: O521.2
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出版历程
- 收稿日期: 2024-10-16
- 修回日期: 2024-11-23
- 网络出版日期: 2024-12-18

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

JI Guangfu

National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, Sichuan, China

摘要

摘要: 含能材料在军事、民用和航天等领域具有广泛应用，极端条件下其物理化学性质会发生显著变化。通过模拟研究预测和优化含能材料性能具有重要意义，包括性能预测、优化设计、安全评估、成本效率控制等。为此，综述了极端条件下含能材料的研究背景、基本性质、模拟研究方法及进展、关键问题以及相关实验研究进展。其中，详细介绍了量子力学、分子动力学、蒙特卡罗和有限元等模拟方法及其研究进展，阐述了高压、高温、激光作用和界面效应等极端条件下模拟研究的关键问题，并列举了含能材料在撞击感度、化学释能规律、3D打印、绿色电合成、爆轰机理和超高含能材料合成等方面的实验研究进展。通过遴选代表性研究，展示了模拟研究在实际问题中的应用和解决方案。同时，介绍了一些最新研究成果，以反映该领域的最新进展和未来趋势。此外，详细讨论了跨学科研究的实现方式以及含能材料在极端条件下的安全性问题，包括可能的风险和预防措施。
- 含能材料 /
- 极端条件 /
- 模拟研究 /
- 高压 /
- 高温 /
- 激光作用
Abstract: 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.
- energetic materials /
- extreme conditions /
- simulation research /
- high pressure /
- high temperature /
- laser action

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