Developing reactive molecular dynamics for understanding polymer chemical kinetics
One of the challenges in understanding polymer flammability is the lack of information about microscopic events that lead to macroscopically observed species, and Reactive Molecular Dynamics is a promising approach to obtain this crucially needed information. The development of a predictive method f...
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| Language: | ENG |
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ScholarWorks@UMass Amherst
2009
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| Online Access: | https://scholarworks.umass.edu/dissertations/AAI3372566 |