Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation

Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation

Molecular dynamics (MD) simulations have been applied to investigate 1, 1-diamino-2, 2-dinitroethene (FOX-7) crystal and FOX-7 (011)-based polymer-bonded explosives (PBXs) with four typical polymers, polyethylene glycol (PEG), fluorine-polymer (F2603), ethylene-vinyl acetate copolymer (EVA) and este...

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Bibliographic Details
Main Authors: Jianbo Fu, Baoguo Wang, Yafang Chen, Yunchuan Li, Xing Tan, Biyuan Wang, Baoyun Ye
Format: Article
Language:English
Published: The Royal Society 2021-02-01
Series:Royal Society Open Science
Subjects:
molecular dynamics
1
1-diamino-2
2-dinitroethene
polymer-bonded explosives
Online Access:https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.200345

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https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.200345

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