The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics

Abstract

TNT/CL-20 cocrystal is less sensitive than CL-20 crystal and the physical mixture of TNT/CL-20 and more sensitive than TNT crystal.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2015
Source ID
10.1039/c4ta06858k

Entities

People

  • Bin Tang
  • Dezhou Guo
  • Fenglei Huang
  • Qi An
  • Sergey V. Zybin
  • William Andrew Goddard III

Organizations

  • Beijing Institute of Technology
  • California Institute of Technology
  • Office of Naval Research
  • United States Army

Tags

Readers

  • Agricultural Chemistry/Soil Science
  • Mycotoxin ecology in Amazonian ecosystems.
  • Quantum Chemistry