Development of Reactive Force Field for DNTF and Molecular Dynamics Simulation of Reaction Mechanism under Shock Loading-Reference-Cited by-同舟云学术

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Development of Reactive Force Field for DNTF and Molecular Dynamics Simulation of Reaction Mechanism under Shock Loading

Published:2024-03-14 Issue:12 Volume:128 Page:4958-4968
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zhang Bin¹,Yang Kun¹^ORCID,Liu Danyang¹^ORCID,Xiao Yiwen¹,Zhang Kaining¹,Yang Tuo¹,Lu Jianying¹,Wu Junying¹^ORCID,Chen Lang¹^ORCID

Affiliation:

1. State Key Laboratory of Explosion Science and Safety Protection, Beijing Institute of Technology, Beijing 100081, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.4c00530

Reference32 articles.

1. Comparative study of melting points of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF)/1,3,3-trinitroazetidine (TNAZ) eutectic compositions using molecular dynamic simulations

2. Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

3. Searching for Low-Sensitivity Cast-Melt High-Energy-Density Materials: Synthesis, Characterization, and Decomposition Kinetics of 3,4-Bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-2-oxide

4. Molecular dynamics simulation of initial thermal decomposition mechanism of DNTF

5. Early thermal decay of energetic hydrogen- and nitro-free furoxan compounds: the case of DNTF and BTF

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