Energetic materials

William A. Goddard

doi:10.1007/978-3-030-18778-1_60

Energetic materials

William A. Goddard

California Institute of Technology

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

With the development of ReaxFF, an important application is toward impact induced reactive decompositions of large-scale polymer-energetic material (EM) composites. Here we were able to simulate the steps leading to decomposition and reactions for systems with 3.7 million atoms. This allowed us to explain the origin of hot spots in EM and to suggest ways to eliminate them. We also used ReaxFF to characterize the CJ state for steady detonation waves in these systems (discussed in Chap. 45).

Original language	English
Title of host publication	Springer Series in Materials Science
Publisher	Springer Science and Business Media Deutschland GmbH
Pages	1193-1201
Number of pages	9
DOIs	https://doi.org/10.1007/978-3-030-18778-1_60
Publication status	Published - 1 Jan 2021
Externally published	Yes

Publication series

Name	Springer Series in Materials Science
Volume	284
ISSN (Print)	0933-033X
ISSN (Electronic)	2196-2812

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10.1007/978-3-030-18778-1_60

Cite this

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title = "Energetic materials",

abstract = "With the development of ReaxFF, an important application is toward impact induced reactive decompositions of large-scale polymer-energetic material (EM) composites. Here we were able to simulate the steps leading to decomposition and reactions for systems with 3.7 million atoms. This allowed us to explain the origin of hot spots in EM and to suggest ways to eliminate them. We also used ReaxFF to characterize the CJ state for steady detonation waves in these systems (discussed in Chap. 45).",

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AB - With the development of ReaxFF, an important application is toward impact induced reactive decompositions of large-scale polymer-energetic material (EM) composites. Here we were able to simulate the steps leading to decomposition and reactions for systems with 3.7 million atoms. This allowed us to explain the origin of hot spots in EM and to suggest ways to eliminate them. We also used ReaxFF to characterize the CJ state for steady detonation waves in these systems (discussed in Chap. 45).

UR - https://www.scopus.com/pages/publications/85101112814

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EP - 1201

BT - Springer Series in Materials Science

PB - Springer Science and Business Media Deutschland GmbH

ER -

Energetic materials

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