Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential-Reference-Cited by-同舟云学术

Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential

Published:2024 Issue:13 Volume:26 Page:9984-9997
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wen Mingjie¹^ORCID,Chang Xiaoya¹^ORCID,Xu Yabei¹,Chen Dongping¹^ORCID,Chu Qingzhao¹^ORCID

Affiliation:

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

Abstract

NNP models covering three typical C/H/N/O element HEMs were developed to capture the mechanical and decomposition properties of RDX, HMX and CL-20. The decomposition trajectory is mainly divided into two stages: pyrolysis and oxidation.

Funder

National Natural Science Foundation of China

Beijing Institute of Technology

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00017J

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