Molecular dynamics study on the effect of metal ion doping on the performance of HMX-Reference-Cited by-同舟云学术

Molecular dynamics study on the effect of metal ion doping on the performance of HMX

Published:2023 Issue:40 Volume:25 Page:5641-5649
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Ding Wenyuan¹^ORCID,Zhao Xue¹,Li Yuanyuan¹,Qiu Siqi¹,Huang Junrui¹

Affiliation:

1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China

Abstract

The effect of metal ion doped crystal defects on the sensitivity and mechanical properties of HMX is studied, and the perfect model and the defect models with different doping quantities are established.

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CE/D3CE00502J

Reference43 articles.

1. Theoretical insight into density and stability differences of RDX, HMX and CL-20

2. The role of HMX particle size in the combustion and agglomeration of HTPB-based propellant

3. Effect of the Nanomaterials on the Thermolysis of HMX: a Short Review

4. New theoretically predicted RDX- and β-HMX-based high-energy-density molecules

5. Dinitromethyl, fluorodinitromethyl derivatives of RDX and HMX as high energy density materials: a computational study

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