Predicted detonation properties at the Chapman–Jouguet state for proposed energetic materials (MTO and MTO3N) from combined ReaxFF and quantum mechanics reactive dynamics
Abstract
The first-principle predicted detonation performances of two new energetic materials are comparable to HMX, making them promising.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c7cp07321f
Entities
People
- Andres Jaramillo-botero
- Fenglei Huang
- Saber Naserifar
- Sergey V. Zybin
- Tao Cheng
- Tingting Zhou
- William Andrew Goddard III
Organizations
- Beijing Institute of Technology
- California Institute of Technology
- Institute of Applied Physics and Computational Mathematics
- National Natural Science Foundation of China
- Office of Naval Research
- United States Army