Cargando…
The Anisotropic Chemical Reaction Mechanism of 1,3,3-trinitroazetidine (TNAZ) under Different Shock Wave Directions by ReaxFF Reactive Molecular Dynamics Simulations
1,3,3-Trinitroazetidine (TNAZ) has good thermal stability and low shock sensitivity, among other properties, and it has broad prospects in insensitive ammunition applications. In this study, a molecular dynamics calculation based on the ReaxFF-lg force field and multiscale shock technique (MSST) was...
Autores principales: | Li, Junjian, Wu, Junying, Shang, Yiping, Mudassar, Muhammad |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502667/ https://www.ncbi.nlm.nih.gov/pubmed/36144508 http://dx.doi.org/10.3390/molecules27185773 |
Ejemplares similares
-
Evaluating the performance of ReaxFF potentials for sp(2) carbon systems (graphene, carbon nanotubes, fullerenes) and a new ReaxFF potential
por: Fthenakis, Zacharias G., et al.
Publicado: (2022) -
Development of a Charge-Implicit ReaxFF for C/H/O
Systems
por: Kański, Michał, et al.
Publicado: (2022) -
Pyrolysis Mechanism of Wheat Straw Based on ReaxFF
Molecular Dynamics Simulations
por: Liu, Zhiwei, et al.
Publicado: (2022) -
ReaxFF Molecular Dynamics Simulation of Hydrostatic
and Uniaxial Compression of Nitrate Energetic Materials
por: Zhang, Yaping, et al.
Publicado: (2020) -
Mixing ReaxFF parameters for transition metal oxides using force-matching method
por: Włodarczyk, Adam, et al.
Publicado: (2021)