Molecular dynamic insight into octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and the nano-HMX decomposition mechanism

Herein, we demonstrate the use of large-scale reactive molecular dynamics simulations to identify the influence of nanostructures, size effects, and temperature for the decomposition processes of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The bulk-phase and six types of HMX nanoparticle...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	RSC advances 2022-11, Vol.12 (5), p.3258-32517
Hauptverfasser:	Zhou, Mingming, Wei, Genwang, Zhang, Yao, Xiang, Dong, Ye, Caichao
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Decomposition Decomposition reactions High temperature HMX Molecular dynamics Nanoparticles Nanostructure Nitrogen dioxide Potential energy Size effects Temperature Temperature distribution Thermal decomposition
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!