首页|Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

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By combination of the transient Raman spectroscopic measurement and the density functional theo-retical calculations,the structural evolution and stability of TATB under shock compression was inves-tigated.Due to the improvement in synchronization control between two-stage light gas gun and the transient Raman spectra acquisition,as well as the sample preparation,the Raman peak of the N-O mode of TATB was firstly observed under shock pressure up to 13.6 GPa,noticeably higher than the upper limit of 8.5 GPa reported in available literatures.By taking into account of the continuous shift of the main peak and other observed Raman peaks,we did not distinguish any structural transition or any new species.Moreover,both the present Raman spectra and the time-resolved radiation of TATB during shock loading showed that TATB exhibits higher chemical stability than previous declaration.To reveal the detailed structural response and evolution of TATB under compression,the density functional theoretical calculations were conducted,and it was found that the pressure make N-O bond lengths shorter,nitro bond angles larger,and intermolecular and intra-molecular hydrogen bond interactions enhanced.The observed red shift of Raman peak was ascribed to the abnormal enhancement of H-bound effect on the scissor vibration mode of the nitro group.

TATBRaman spectraStructural evolutionShock loading

Hongliang Kang、Xue Yang、Wenshuo Yuan、Lei Yang、Xinghan Li、Fusheng Liu、Zhengtang Liu、Qijun Liu

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Bond and Band Engineering Group,School of Physical Science and Technology,Southwest Jiaotong University,Chengdu 610031,China

State Key Laboratory of Solidification Processing,Northwestern Polytechnical University Xi'an 710072,China

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNatural Science Foundation of Sichuan ProvinceBasic Research Project of SouthwestJiaotong UniversityNational Key Laboratory for Shock Wave and Detonation Physics of China

12072299119022762022NSFSC18022682023ZTPY009JCKYS2019212007

2024

10.1016/j.dt.2023.11.014

防务技术
中国兵工学会

防务技术

CSTPCD
影响因子：0.358
ISSN：2214-9147
年,卷(期)：2024.33(3)
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