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ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials

[Image: see text] The physical and chemical properties of typical nitrate energetic materials under hydrostatic compression and uniaxial compression were studied using the ReaxFF/lg force field combined with the molecular dynamics simulation method. Under hydrostatic compression, the P–V curve and t...

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Detalles Bibliográficos
Autores principales:	Zhang, Yaping, Li, Qikai, He, Yuanhang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7391943/ https://www.ncbi.nlm.nih.gov/pubmed/32743232 http://dx.doi.org/10.1021/acsomega.0c02829

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