Properties of the ADN/ANTA cocrystal based on theoretical simulation
In this study, we used molecular dynamics simulation and Monte Carlo methods to study the theoretical properties of the ADN/ANTA cocrystal. In addition, the detonation properties of pure ADN, ANTA and ADN/ANTA cocrystals were calculated.
Authors
- Zhihua Zhuang
- Xinggao Zhang
- Wenlian Peng
- Zhitong Yu (ORCID: https://orcid.org/0009-0009-3657-2725)
- Hao Chen (ORCID: https://orcid.org/0000-0003-0857-7405)
- Pengcheng Zhang (ORCID: https://orcid.org/0000-0002-8988-9701)
- Liang Zhou (ORCID: https://orcid.org/0000-0002-0669-5873)
- Hanqing Xu
- Jinyan He (ORCID: https://orcid.org/0000-0002-6190-4535)
Publication Details
- Journal
- CrystEngComm
- Published
- 2024-12-18
- DOI
- https://doi.org/10.1039/d4ce01095g
- Primary Topic
- Energetic Materials and Combustion
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China