Goddard, William A., III (2021) Energetic Materials. In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer Series in Materials Science. No.284. Springer International Publishing , Cham, pp. 1193-1201. ISBN 978-3-030-18777-4. https://resolver.caltech.edu/CaltechAUTHORS:20210127-081218603
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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).
| Item Type: | Book Section | ||||||
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| Additional Information: | © Springer Nature Switzerland AG 2021. First Online: 26 January 2021. | ||||||
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| Series Name: | Springer Series in Materials Science | ||||||
| Issue or Number: | 284 | ||||||
| DOI: | 10.1007/978-3-030-18778-1_60 | ||||||
| Record Number: | CaltechAUTHORS:20210127-081218603 | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20210127-081218603 | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 107760 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Tony Diaz | ||||||
| Deposited On: | 27 Jan 2021 19:41 | ||||||
| Last Modified: | 16 Nov 2021 19:06 |
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