Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum composites-Reference-Cited by-同舟云学术

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Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum composites

Published:2020-10-14 Issue:11 Volume:26 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Wang Xin-Ke,Zhao Ying,Zhao Feng-Qi,Xu Si-Yu,Ju Xue-Hai

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-020-04562-7.pdf

Reference32 articles.

1. Bernstein J (2018) Ab initio study of energy transfer rates and impact sensitivities of crystalline explosives. J. Chem. Phys. 148(8):084502

2. Dilmaç AM, Spuling E, Meijere A, Bräse S (2017) Propellanes—from a chemical curiosity to “explosive” materials and natural products. Angew. Chem. Int. Edit. 56(21):5684–5718

3. Watkins EB, Velizhanin KA, Dattelbaum DM, Gustavsen RL, Aslam TD, Podlesak DW, Huber RC, Firestone MA, Ringstrand BS, Willey TM, Bagge-Hansen M, Hodgin RL, Lauderbach L, Buuren A, Sinclair N, Rigg PA, Seifert S, Gog T (2017) Evolution of carbon clusters in the detonation products of the triamino-trinitro-benzene (TATB)-based explosive PBX 9502. J. Phys. Chem. C 121(41):23129–23140.4

4. Mbugua A, Satija A, Lucht RP, Bane S (2020) Ignition and combustion characterization of single nitromethane and isopropyl nitrate monopropellant droplets under high-temperature and quasi-steady conditions. Combust Flame 212:295–308

5. Appalakondaiah S, Vaitheeswaran G, Lebegue S (2013) A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane. J. Chem. Phys. 138(18):184705

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3. Effect of neutron irradiation on structure and decomposition of α-RDX: A ReaxFF molecular dynamics study;Computational and Theoretical Chemistry;2023-01

4. Reactive molecular dynamics study on the thermal decomposition reaction of a triple-base solid propellant;Journal of Molecular Modeling;2022-07-11

5. Establishment of a Reax force field to study SF6 gas over-thermal decomposition;Journal of Physics D: Applied Physics;2021-01-08

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