Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives
Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear. Herein shock-induced energy localization, overall physical responses, and reactions in α-1,3,5-trinitro-1,3,5-triazinane (α-RDX) cryst...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co., Ltd.
2024-03-01
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| Series: | Defence Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2214914723000405 |
| _version_ | 1797238039161864192 |
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| author | Ruqin Liu Yanqing Wu Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen |
| author_facet | Ruqin Liu Yanqing Wu Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen |
| author_sort | Ruqin Liu |
| collection | DOAJ |
| description | Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear. Herein shock-induced energy localization, overall physical responses, and reactions in α-1,3,5-trinitro-1,3,5-triazinane (α-RDX) crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method. Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions, i.e., phase states, chemical compositions, and concentrations. The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume, which includes homogeneous intermolecular compression, interfacial impact and shear, and void collapse and jet. As introducing various chemical inclusions, the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions. Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting. Under the shockwave velocity of 9 km/s, the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void, and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions. The less-dense shocking system denotes the greater increases in local temperature and stress, the faster energy liberation, and the earlier final reaction into equilibrium, revealing more pronounced responses to the present intense shockwave. The quantitative models associated with the relative system density (RDsys) were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive. RDsys is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions. When RDsys is below 0.9, local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact. This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects. |
| first_indexed | 2024-04-24T17:29:18Z |
| format | Article |
| id | doaj.art-5a13c4c79d584d92a1840f23c63f93be |
| institution | Directory Open Access Journal |
| issn | 2214-9147 |
| language | English |
| last_indexed | 2024-04-24T17:29:18Z |
| publishDate | 2024-03-01 |
| publisher | KeAi Communications Co., Ltd. |
| record_format | Article |
| series | Defence Technology |
| spelling | doaj.art-5a13c4c79d584d92a1840f23c63f93be2024-03-28T06:37:54ZengKeAi Communications Co., Ltd.Defence Technology2214-91472024-03-0133278294Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosivesRuqin Liu0Yanqing Wu1Xinjie Wang2Fenglei Huang3Xiaona Huang4Yushi Wen5State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, ChinaState Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, China; Corresponding author.State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, ChinaState Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, China; Corresponding author.School of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, Hubei, ChinaInstitute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang, 621999, Sichuan, ChinaChemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear. Herein shock-induced energy localization, overall physical responses, and reactions in α-1,3,5-trinitro-1,3,5-triazinane (α-RDX) crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method. Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions, i.e., phase states, chemical compositions, and concentrations. The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume, which includes homogeneous intermolecular compression, interfacial impact and shear, and void collapse and jet. As introducing various chemical inclusions, the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions. Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting. Under the shockwave velocity of 9 km/s, the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void, and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions. The less-dense shocking system denotes the greater increases in local temperature and stress, the faster energy liberation, and the earlier final reaction into equilibrium, revealing more pronounced responses to the present intense shockwave. The quantitative models associated with the relative system density (RDsys) were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive. RDsys is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions. When RDsys is below 0.9, local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact. This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects.http://www.sciencedirect.com/science/article/pii/S2214914723000405Shock responsesEnergy localizationCrystalline explosivesChemical inclusionsReactive molecular dynamics |
| spellingShingle | Ruqin Liu Yanqing Wu Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives Defence Technology Shock responses Energy localization Crystalline explosives Chemical inclusions Reactive molecular dynamics |
| title | Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives |
| title_full | Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives |
| title_fullStr | Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives |
| title_full_unstemmed | Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives |
| title_short | Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives |
| title_sort | shock induced energy localization and reaction growth considering chemical inclusions effects for crystalline explosives |
| topic | Shock responses Energy localization Crystalline explosives Chemical inclusions Reactive molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S2214914723000405 |
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