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Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure
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Yangyang ZENG1, Gangbei ZHU1, Wentao WANG2, Sha BAI3, Zhaoyang ZHENG1, Guoyang YU1, *, Yanqiang YANG1
Chinese Journal of High Pressure Physics | 2024, 38(3) : 030110-1 - 030110-8
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Chinese Journal of High Pressure Physics | 2024, 38(3): 030110-1-030110-8
• Topics on Multiscale Structure and Physical Properties of Materials under Dynamic Loading •
Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure
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Yangyang ZENG1, Gangbei ZHU1, Wentao WANG2, Sha BAI3, Zhaoyang ZHENG1, Guoyang YU1, *, Yanqiang YANG1
Affiliations
  • 1Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, Sichuan, China
  • 2Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning, China
  • 3College of Chemistry and Materials Science, Northwest University, Xi’an 710127, Shaanxi, China
Published: 2024-06-05 doi: 10.11858/gywlxb.20230804
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For energetic materials, the lattice vibration modes in the 6 THz (200 cm−1) range are very sensitive to structural changes caused by external temperature and pressure changes. Therefore, mid- and far-infrared vibrational spectroscopy can be used as a powerful tool to study high-pressure phase transitions in these materials. We have obtained high-pressure vibrational spectra of hydrazine nitrate, using mid- and far-infrared ultra-broadband spectroscopy, whose broadband was generated by air plasma, combined with a diamond anvil cell (DAC). The crystal structure of hydrazine nitrate, as well as the infrared spectrum, were calculated by using the first principle method. Based on the calculation, the intermolecular interactions were analyzed. Combined with the experimental results, it was revealed that the structural changes under pressure alter the strength of intermolecular hydrogen bonds and van der Waals interactions, which in turn affects the low-frequency vibrational modes. And by analyzing the vibrational spectra, we observed the phase transition process of hydrazine nitrate.

hydrazine nitrate  /  mid- and far- infrared spectra  /  first principle computation  /  high pressure  /  phase transition
曾阳阳, 朱刚贝, 王文涛, 白莎, 郑朝阳, 于国洋, 杨延强. 高压下硝酸肼结构演化的中远红外光谱和第一性原理计算研究. 高压物理学报, 2024 , 38 (3) : 030110-1 -030110-8 . DOI: 10.11858/gywlxb.20230804
Yangyang ZENG, Gangbei ZHU, Wentao WANG, Sha BAI, Zhaoyang ZHENG, Guoyang YU, Yanqiang YANG. Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure[J]. Chinese Journal of High Pressure Physics, 2024 , 38 (3) : 030110-1 -030110-8 . DOI: 10.11858/gywlxb.20230804
Year 2024 volume 38 Issue 3
9
5
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Article Info
doi: 10.11858/gywlxb.20230804
  • Receive Date:2023-12-06
  • Online Date:2026-11-06
  • Published:2024-06-05
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History
  • Received:2023-12-06
  • Revised:2023-12-22
Affiliations
    1Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, Sichuan, China
    2Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning, China
    3College of Chemistry and Materials Science, Northwest University, Xi’an 710127, Shaanxi, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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