Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering
The atomic scale local structures affect the initiation performance of ultra-fine explosives according to the stimulation results of hot spot formation. However, the experimental characterization of local structures in ultra-fine explosives has been rarely reported, due to the difficulty in applicat...
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-10-01
|
| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/15/19/6835 |
| _version_ | 1797478361167036416 |
|---|---|
| author | Jiangtao Xing Weili Wang Shiliang Huang Maohua Du Bing Huang Yousong Liu Shanshan He Tianle Yao Shichun Li Yu Liu |
| author_facet | Jiangtao Xing Weili Wang Shiliang Huang Maohua Du Bing Huang Yousong Liu Shanshan He Tianle Yao Shichun Li Yu Liu |
| author_sort | Jiangtao Xing |
| collection | DOAJ |
| description | The atomic scale local structures affect the initiation performance of ultra-fine explosives according to the stimulation results of hot spot formation. However, the experimental characterization of local structures in ultra-fine explosives has been rarely reported, due to the difficulty in application of characterization methods having both high resolution in and small damage to unstable organic explosive materials. In this work, X-ray total scattering was explored to investigate the atomic scale local distortion of two widely applicable ultra-fine explosives, LLM-105 and HNS. The experimental spectra of atomic pair distribution function (PDF) derived from scattering results were fitted by assuming rigid ring structures in molecules. The effects of grain refinement and thermal aging on the atomic scale local structure were investigated, and the changes in both the length of covalent bonds have been identified. Results indicate that by decreasing the particle size of LLM-105 and HNS from hundreds of microns to hundreds of nanometers, the crystal structures remain, whereas the molecular configuration slightly changes and the degree of structural disorder increases. For example, the average length of covalent bonds in LLM-105 reduces from 1.25 Å to 1.15 Å, whereas that in HNS increases from 1.25 Å to 1.30 Å, which is possibly related to the incomplete crystallization process and internal stress. After thermal aging of ultra-fine LLM-105 and HNS, the degree of structural disorder decreases, and the distortion in molecules formed in the synthesis process gradually healed. The average length of covalent bonds in LLM-105 increases from 1.15 Å to 1.27 Å, whereas that in HNS reduces from 1.30 Å to 1.20 Å. The possible reason is that the atomic vibration in the molecule intensifies during the heat aging treatment, and the internal stress was released through changes in molecular configuration, and thus the atomic scale distortion gradually heals. The characterization method and findings in local structures obtained in this work may pave the path to deeply understand the relationship between the defects and performance of ultra-fine explosives. |
| first_indexed | 2024-03-09T21:30:49Z |
| format | Article |
| id | doaj.art-bb7ae6751edd467faafeda0e1b6fb6b4 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-09T21:30:49Z |
| publishDate | 2022-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-bb7ae6751edd467faafeda0e1b6fb6b42023-11-23T20:57:35ZengMDPI AGMaterials1996-19442022-10-011519683510.3390/ma15196835Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total ScatteringJiangtao Xing0Weili Wang1Shiliang Huang2Maohua Du3Bing Huang4Yousong Liu5Shanshan He6Tianle Yao7Shichun Li8Yu Liu9College of Ordnance Engineering, Naval University of Engineering, Wuhan 430033, ChinaCollege of Ordnance Engineering, Naval University of Engineering, Wuhan 430033, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaCollege of Ordnance Engineering, Naval University of Engineering, Wuhan 430033, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaNavy Research Institute, Beijing 100072, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaChina Academy of Engineering Physics, Institute of Chemical Materials, Mianyang 621900, ChinaThe atomic scale local structures affect the initiation performance of ultra-fine explosives according to the stimulation results of hot spot formation. However, the experimental characterization of local structures in ultra-fine explosives has been rarely reported, due to the difficulty in application of characterization methods having both high resolution in and small damage to unstable organic explosive materials. In this work, X-ray total scattering was explored to investigate the atomic scale local distortion of two widely applicable ultra-fine explosives, LLM-105 and HNS. The experimental spectra of atomic pair distribution function (PDF) derived from scattering results were fitted by assuming rigid ring structures in molecules. The effects of grain refinement and thermal aging on the atomic scale local structure were investigated, and the changes in both the length of covalent bonds have been identified. Results indicate that by decreasing the particle size of LLM-105 and HNS from hundreds of microns to hundreds of nanometers, the crystal structures remain, whereas the molecular configuration slightly changes and the degree of structural disorder increases. For example, the average length of covalent bonds in LLM-105 reduces from 1.25 Å to 1.15 Å, whereas that in HNS increases from 1.25 Å to 1.30 Å, which is possibly related to the incomplete crystallization process and internal stress. After thermal aging of ultra-fine LLM-105 and HNS, the degree of structural disorder decreases, and the distortion in molecules formed in the synthesis process gradually healed. The average length of covalent bonds in LLM-105 increases from 1.15 Å to 1.27 Å, whereas that in HNS reduces from 1.30 Å to 1.20 Å. The possible reason is that the atomic vibration in the molecule intensifies during the heat aging treatment, and the internal stress was released through changes in molecular configuration, and thus the atomic scale distortion gradually heals. The characterization method and findings in local structures obtained in this work may pave the path to deeply understand the relationship between the defects and performance of ultra-fine explosives.https://www.mdpi.com/1996-1944/15/19/6835ultra-fine explosivedefectselectivity of the sensitivitytotal scatteringpair distribution function |
| spellingShingle | Jiangtao Xing Weili Wang Shiliang Huang Maohua Du Bing Huang Yousong Liu Shanshan He Tianle Yao Shichun Li Yu Liu Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering Materials ultra-fine explosive defect selectivity of the sensitivity total scattering pair distribution function |
| title | Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering |
| title_full | Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering |
| title_fullStr | Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering |
| title_full_unstemmed | Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering |
| title_short | Effects of Grain Refinement and Thermal Aging on Atomic Scale Local Structures of Ultra-Fine Explosives by X-ray Total Scattering |
| title_sort | effects of grain refinement and thermal aging on atomic scale local structures of ultra fine explosives by x ray total scattering |
| topic | ultra-fine explosive defect selectivity of the sensitivity total scattering pair distribution function |
| url | https://www.mdpi.com/1996-1944/15/19/6835 |
| work_keys_str_mv | AT jiangtaoxing effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT weiliwang effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT shilianghuang effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT maohuadu effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT binghuang effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT yousongliu effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT shanshanhe effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT tianleyao effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT shichunli effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering AT yuliu effectsofgrainrefinementandthermalagingonatomicscalelocalstructuresofultrafineexplosivesbyxraytotalscattering |