Cargando…

Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading

The initial response process of PETN containing nanoscale spherical cavities under impact loading was investigated using the ReaxFF-lg force field combined with the molecular dynamic method. The impact-induced void collapse process, hot spot formation and growth, and chemical reaction processes were...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Yaping, Wang, Tao, He, Yuanhang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8992229/
https://www.ncbi.nlm.nih.gov/pubmed/35425036
http://dx.doi.org/10.1039/d2ra00417h
_version_ 1784683694090354688
author Zhang, Yaping
Wang, Tao
He, Yuanhang
author_facet Zhang, Yaping
Wang, Tao
He, Yuanhang
author_sort Zhang, Yaping
collection PubMed
description The initial response process of PETN containing nanoscale spherical cavities under impact loading was investigated using the ReaxFF-lg force field combined with the molecular dynamic method. The impact-induced void collapse process, hot spot formation and growth, and chemical reaction processes were determined. The hot spot formation goes through four stages: (1) overall temperature rise due to initial impact compression; (2) temperature rise on the upper surface of the void caused by local plastic deformation; (3) rapid temperature rise caused by molecules entering the interior of the void colliding with the downstream surface of the void; and (4) thermal diffusion between the hot spot and the surrounding region, resulting in a decrease in the temperature of the center of the hot spot and a slow increase in the temperature of the neighboring region. With weak impact, the void shape remains basically symmetric during the void collapse, and the void collapse is mainly caused by local plastic deformation. A strong impact will lead to a more intense material focusing. The void collapse caused by strong impact has a greater effect on the heating of the surrounding material, and the secondary compression formed by the collision between particles makes the hot spot area expand and the central region of the hot spot evolve into an approximate triangular cone. NO(2) is produced in large quantities as the initial product during the void collapse to form the hot spot, indicating that the void activates the chemical reactivity of the PETN crystal.
format Online
Article
Text
id pubmed-8992229
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher The Royal Society of Chemistry
record_format MEDLINE/PubMed
spelling pubmed-89922292022-04-13 Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading Zhang, Yaping Wang, Tao He, Yuanhang RSC Adv Chemistry The initial response process of PETN containing nanoscale spherical cavities under impact loading was investigated using the ReaxFF-lg force field combined with the molecular dynamic method. The impact-induced void collapse process, hot spot formation and growth, and chemical reaction processes were determined. The hot spot formation goes through four stages: (1) overall temperature rise due to initial impact compression; (2) temperature rise on the upper surface of the void caused by local plastic deformation; (3) rapid temperature rise caused by molecules entering the interior of the void colliding with the downstream surface of the void; and (4) thermal diffusion between the hot spot and the surrounding region, resulting in a decrease in the temperature of the center of the hot spot and a slow increase in the temperature of the neighboring region. With weak impact, the void shape remains basically symmetric during the void collapse, and the void collapse is mainly caused by local plastic deformation. A strong impact will lead to a more intense material focusing. The void collapse caused by strong impact has a greater effect on the heating of the surrounding material, and the secondary compression formed by the collision between particles makes the hot spot area expand and the central region of the hot spot evolve into an approximate triangular cone. NO(2) is produced in large quantities as the initial product during the void collapse to form the hot spot, indicating that the void activates the chemical reactivity of the PETN crystal. The Royal Society of Chemistry 2022-04-08 /pmc/articles/PMC8992229/ /pubmed/35425036 http://dx.doi.org/10.1039/d2ra00417h Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Zhang, Yaping
Wang, Tao
He, Yuanhang
Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title_full Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title_fullStr Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title_full_unstemmed Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title_short Hot spot formation and initial chemical reaction of PETN containing nanoscale spherical voids under high shock loading
title_sort hot spot formation and initial chemical reaction of petn containing nanoscale spherical voids under high shock loading
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8992229/
https://www.ncbi.nlm.nih.gov/pubmed/35425036
http://dx.doi.org/10.1039/d2ra00417h
work_keys_str_mv AT zhangyaping hotspotformationandinitialchemicalreactionofpetncontainingnanoscalesphericalvoidsunderhighshockloading
AT wangtao hotspotformationandinitialchemicalreactionofpetncontainingnanoscalesphericalvoidsunderhighshockloading
AT heyuanhang hotspotformationandinitialchemicalreactionofpetncontainingnanoscalesphericalvoidsunderhighshockloading