A Study of the Shock Sensitivity of Energetic Single Crystals by Large-Scale Ab Initio Molecular Dynamics Simulations

A Study of the Shock Sensitivity of Energetic Single Crystals by Large-Scale Ab Initio Molecular Dynamics Simulations

Understanding the reaction initiation of energetic single crystals under external stimuli is a long-term challenge in the field of high energy density materials. Herewith, we developed an <i>ab</i> <i>initio</i> molecular dynamics method based on the multiscale shock techniqu...

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Bibliographic Details
Main Authors: Lei Zhang, Yi Yu, Meizhen Xiang
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:Nanomaterials
Subjects:
BTF
TATB
CL-20
cocrystal
energetic materials
shock sensitivity
large-scale ab initio molecular dynamics simulations
Online Access:https://www.mdpi.com/2079-4991/9/9/1251

Internet

https://www.mdpi.com/2079-4991/9/9/1251

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