Thermal decomposition mechanism of RDX/AP composites: ab initio neural network MD simulations

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05709G, PaperKehui Pang, Mingjie Wen, Xiaoya Chang, Yabei Xu, Qingzhao Chu, Dongping Chen A neural network potential (NNP) is developed to investigate the decomposition mechanism of RDX, AP, and their composites. Utilizing an ab initio dataset, the NNP is evaluated in terms of... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 16, 2024 Category: Chemistry Authors: Kehui Pang Source Type: research