Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive
In order to explore the influence of doping defects on the properties of CL-20 / HMX eutectic explosive, the models with different doping rates were calculated by molecular dynamics method. The results show that compared with the non-doped crystal model, the binding energy in the doped model is redu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2022-01-01
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| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2022/05/matecconf_msms2022_01066.pdf |
| _version_ | 1828213353517940736 |
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| author | Yang Jiahao Wang Yuling Wang Chengzhou |
| author_facet | Yang Jiahao Wang Yuling Wang Chengzhou |
| author_sort | Yang Jiahao |
| collection | DOAJ |
| description | In order to explore the influence of doping defects on the properties of CL-20 / HMX eutectic explosive, the models with different doping rates were calculated by molecular dynamics method. The results show that compared with the non-doped crystal model, the binding energy in the doped model is reduced by 0.332%~11.805%; The initiation bond length increased by 0.9%~4.6%; The binding diatomic interaction energy is reduced by 2.31%~15.46%; The cohesive energy density decreased by 19.75%~50.39%; The decreasing range of density is 0.697%~4.450%; The reduction range of detonation velocity is 0.744%~5.449%; The reduction range of explosion pressure is 1.864%~12.841%; The bulk modulus decreased by 0.4844~6.7461GPa, the shear modulus decreased by 0.9442~5.2329GPa, and the tensile modulus decreased by 2.0431~12.5374GPa. It shows that doping defects will reduce the stability, safety and detonation performance of explosives, and make the hardness, fracture resistance and rigid strength of explosives worse. |
| first_indexed | 2024-04-12T14:48:58Z |
| format | Article |
| id | doaj.art-5c2f957e100941c89995221e09547cd7 |
| institution | Directory Open Access Journal |
| issn | 2261-236X |
| language | English |
| last_indexed | 2024-04-12T14:48:58Z |
| publishDate | 2022-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | MATEC Web of Conferences |
| spelling | doaj.art-5c2f957e100941c89995221e09547cd72022-12-22T03:28:32ZengEDP SciencesMATEC Web of Conferences2261-236X2022-01-013580106610.1051/matecconf/202235801066matecconf_msms2022_01066Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal ExplosiveYang Jiahao0Wang Yuling1Wang ChengzhouRocket Force University of Engineering, School of Nuclear EngineeringRocket Force University of Engineering, School of Nuclear EngineeringIn order to explore the influence of doping defects on the properties of CL-20 / HMX eutectic explosive, the models with different doping rates were calculated by molecular dynamics method. The results show that compared with the non-doped crystal model, the binding energy in the doped model is reduced by 0.332%~11.805%; The initiation bond length increased by 0.9%~4.6%; The binding diatomic interaction energy is reduced by 2.31%~15.46%; The cohesive energy density decreased by 19.75%~50.39%; The decreasing range of density is 0.697%~4.450%; The reduction range of detonation velocity is 0.744%~5.449%; The reduction range of explosion pressure is 1.864%~12.841%; The bulk modulus decreased by 0.4844~6.7461GPa, the shear modulus decreased by 0.9442~5.2329GPa, and the tensile modulus decreased by 2.0431~12.5374GPa. It shows that doping defects will reduce the stability, safety and detonation performance of explosives, and make the hardness, fracture resistance and rigid strength of explosives worse.https://www.matec-conferences.org/articles/matecconf/pdf/2022/05/matecconf_msms2022_01066.pdf |
| spellingShingle | Yang Jiahao Wang Yuling Wang Chengzhou Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive MATEC Web of Conferences |
| title | Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive |
| title_full | Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive |
| title_fullStr | Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive |
| title_full_unstemmed | Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive |
| title_short | Molecular Dynamics Study on the Effect of Doping Defects on the Properties of CL-20/HMX Co-crystal Explosive |
| title_sort | molecular dynamics study on the effect of doping defects on the properties of cl 20 hmx co crystal explosive |
| url | https://www.matec-conferences.org/articles/matecconf/pdf/2022/05/matecconf_msms2022_01066.pdf |
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