相关实验视频

Updated: Jul 5, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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在高速冲击下研究HMX的脱位和结对行为,采用分子动力学模拟

Can-Shu Yang1, Shu-Hai Zhang2

  • 1School of Environmental and Safety Engineering, North University of China, Taiyuan, 030051, China.

Journal of molecular modeling
|January 24, 2024
PubMed
概括

这项研究调查了冲击下的八-1,3,5,7-四-1,3,5,7-四素 (HMX),该研究发现双胞胎HMX分解得更快,产生更多的小分子和比完美或脱的HMX更少的.

关键词:
在HMX中,HMX就是HMX.这就是MSSTT的意思.分子动力学分子动力学在 ReaxFF/lg/lg 中使用.

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