Thermal Decomposition Mechanism of CL-20 at Different Temperatures by ReaxFF Reactive Molecular Dynamics Simulations
Author:
Affiliation:
1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b01256
Reference16 articles.
1. ReaxFF: A Reactive Force Field for Hydrocarbons
2. Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
3. ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials
4. Development of a Reactive Force Field for Hydrocarbons and Application to Iso-octane Thermal Decomposition
5. Thermal decomposition of RDX from reactive molecular dynamics
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