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Temperature dependent terahertz properties of energetic materials

机译:含能材料的随温度变化的太赫兹特性

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Reliable detection of energetic materials is still a formidable challenge which requires further investigation. The remote standoff detection of explosives using molecular fingerprints in the terahertz spectral range has been an evolving research area for the past two decades. Despite many efforts, identification of a particular explosive remains difficult as the spectral fingerprints often shift due to the working conditions of the sample such as temperature, crystal orientation, presence of binders, etc. In this work, we investigate the vibrational spectrum of energetic materials including RDX, PETN, AN, and 1,3-DNB diluted in a low loss PTFE host medium using terahertz time domain spectroscopy (THz-TDS) at cryogenic temperatures. The measured absorptions of these materials show spectral shifts of their characteristic peaks while changing their operating temperature from 300 to 7.5 K. We have developed a theoretical model based on first-principles methods, which is able to predict most of the measured modes in 1, 3-DNB between 0.3 to 2.50 THz. These findings may further improve the security screening of explosives.
机译:可靠地检测高能材料仍然是一个艰巨的挑战,需要进一步研究。在过去的二十年中,使用太赫兹光谱范围内的分子指纹对爆炸物进行远程隔离检测一直是一个不断发展的研究领域。尽管付出了许多努力,但是由于样品的工作条件(例如温度,晶体取向,粘合剂的存在等)经常会导致光谱指纹移动,因此难以识别特定的爆炸物。在这项工作中,我们研究了高能材料的振动光谱包括在低温下使用太赫兹时域光谱(THz-TDS)在低损耗PTFE宿主介质中稀释的RDX,PETN,AN和1,3-DNB。这些材料的测量吸收率显示了其特征峰的光谱位移,同时将它们的工作温度从300 K更改为7.5K。我们已经基于第一原理方法开发了一种理论模型,该模型能够预测1中大多数测量模式3-DNB在0.3至2.50 THz之间。这些发现可能会进一步改善爆炸物的安全检查。

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