| Summary |
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). |
| Access |
Open access content Open access content star |
| Genre/Form |
Book Section
|
|
PeerReviewed
|
| Added Author |
Shankar, Sadasivan Contributor. |
|
Muller, Richard Contributor. |
|
Dunning, Thom Contributor. |
|
Chen, Guan Hua Contributor. |
|
Goddard, William A., III Creator. |
| In: |
Energetic Materials |
| Related To |
https://authors.library.caltech.edu/107760/ |
|
https://resolver.caltech.edu/CaltechAUTHORS:20210127-081218603 |
|
CaltechAUTHORS:20210127-081218603 |
|
10.1007/978-3-030-18778-1_60 |
| Standard No. |
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 <https://resolver.caltech.edu/CaltechAUTHORS:20210127-081218603> |
|
CIT oai:authors.library.caltech.edu:107760 http://authors.library.caltech.edu/cgi/oai2 74797065733D626F6F6B5F73656374696F6E DGCNT |
|
