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Shock Raman spectra and structural transformation of powdered TKX-50 by the plate impact experiments combined with real-time Raman detection
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作者 Xue Yang Qijun Liu +3 位作者 yundan gan Lei Yang Zhengtang Liu Fusheng Liu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期158-162,共5页
As an energetic material of great interest,the work capacity of dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate(TKX-50)has been questioned recently.Although some research groups have explored the reasons for the l... As an energetic material of great interest,the work capacity of dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate(TKX-50)has been questioned recently.Although some research groups have explored the reasons for the low working ability of TKX-50,the plane impact experiment on powdered TKX-50 is obviously closer to the practical application,and the conclusions based on this are more guiding.Hence,we performed shock Hugoniot measurements of powdered TKX-50 between 5.65 and 16.29 GPa.The plane impact experiments of powdered TKX-50 were carried out and the shocked Raman spectra were collected.By Raman spectroscopy analysis,a new peak of powdered TKX-50 was found between19.47 GPa and 24.96 GPa,which may be caused by decomposition/phase transition and was related with the low work capacity. 展开更多
关键词 Powdered TKX-50 HUGONIOT RAMAN DECOMPOSITION Phase transition
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低压下一种新的聚合氮结构 被引量:2
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作者 梁冬梅 刘海燕 +2 位作者 甘云丹 匡安龙 田春玲 《科学通报》 EI CAS CSCD 北大核心 2021年第22期2908-2914,共7页
聚合氮作为潜在的清洁高能量密度材料有望取代传统的C、H、O、N含能材料,但是已发现的聚合氮结构无法保存到常规条件下.因此,获得能够存在于近常规条件下的聚合氮结构是人们比较关心的问题.本文结合第一性原理计算和CALYPSO晶体结构预... 聚合氮作为潜在的清洁高能量密度材料有望取代传统的C、H、O、N含能材料,但是已发现的聚合氮结构无法保存到常规条件下.因此,获得能够存在于近常规条件下的聚合氮结构是人们比较关心的问题.本文结合第一性原理计算和CALYPSO晶体结构预测方法对低压下氮的结构进行搜索.在30 GPa下发现了一种由氮链和类连五唑构成的聚合氮结构,其空间群为Cm.通过焓差曲线分析发现,Cm聚合氮在10~35 GPa压强范围是目前发现的聚合氮结构中最稳定的相结构,其焓值较已知的偏转立方氮(cg-N)结构、N_(6)和N_(8)结构都低.声子色散计算和弹性常数计算表明,Cm聚合氮具有晶格动力学稳定性和力学稳定性;分子动力学模拟表明,Cm聚合氮在常温下卸压到一个大气压仍保持结构稳定.这预示着高压下合成的Cm聚合氮可能被截获和保留到常温常压条件下. 展开更多
关键词 CALYPSO 聚合氮 低压 第一性原理计算 分子动力学模拟
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