在CL-20和CL-20/HMX共晶体中的高压结构演变和分子间相互作用
Junyu Fan1,2, Xiaoxuan Han1,2, Xiaoran Shi1,2
1Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China.
Physical chemistry chemical physics : PCCP
|September 26, 2025
概括
高压拉曼光谱显示,由于基组重定位,CL-20在2GPa以上的纯净变换. 然而,CL-20/HMX共晶体的稳定性高达15GPa,有助于结合和振动合.
科学领域:
- 材料科学 材料科学 材料科学
- 化学 化学 化学
- 物理 物理学 物理
背景情况:
- 了解压力下的能量材料 (EM) 对安全和性能至关重要.
- 高压行为会影响灵敏度和稳定性.
研究的目的:
- 通过拉曼光谱学研究CL-20和CL-20/HMX的高压结构稳定性.
- 阐明压力诱导的结构转变和分子间相互作用.
主要方法:
- 压力依赖拉曼光谱法.
- 对结构反应和分子间相互作用的分析.
- 高压研究高达15GPa.
主要成果:
- 纯CL-20经历了2-6GPa之间的相变,具有改变的基基方向.
- CL-20/HMX共晶保持结构稳定性高达15 GPa.
- 结合和振动模式合增强了CL-20/HMX的稳定性.
结论:
- CL-20 呈现出明显的压力诱导的结构变化.
- 在高压下,CL-20/HMX表现出了显著的结构完整性.
- 光谱签名揭示了共晶体中增强稳定性的机制.
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