Response and variation mechanisms of RDX crystals under strong magnetic loading

IF 4.6 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY RSC Advances Pub Date : 2025-01-06 DOI:10.1039/D4RA07974D
Jun Tao, Haichao Ren and Yufan Bu
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Abstract

To fully understand the variation in performance of cyclotrimethylenetrinitramine (RDX) crystals under strong magnetic field exposure, the strong magnetic loading of RDX was conducted in both stable and alternating magnetic fields. The morphological changes of RDX crystals exposed to magnetic fields were studied under a scanning electron microscope. Then, the lattice changes of RDX exposed to magnetic fields were analyzed through X-ray diffraction and Raman spectroscopy. Also, the thermal decomposition characteristics of RDX exposed to magnetic fields were determined by means of differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Furthermore, positron annihilation lifetime spectroscopy was performed to characterize the micro defects in RDX after strong magnetic interaction. Finally, molecular dynamics simulation was conducted to calculate the lattice constant, microscopic distribution, initiation bonds, and density of states for the RDX exposed to magnetic fields. The results show that after 10 hours of irradiation with a stable high-intensity magnetic field of 6T, the RDX crystals exhibit more pronounced grooves on their surfaces, and the relative intensity of Raman peaks may change due to the stress generated by magnetic field exposure. Comparatively, an alternating magnetic field of ±6T facilitates the peeling off of small particles on the surface, induces greater strain, and results in surface dislocations. With various pronounced grooves and pores, the surface of RDX crystals exhibits a fish scale-like structure. After the exposure to an alternating magnetic field, significant changes occur to multiple wavenumber positions of the RDX Raman spectrum, indicating a considerable strain on the sample caused by the change in magnetic field. The treatment with a strong magnetic field leads to a significant increase in the number of micro pores measured to be 4–5 nm in RDX samples. According to the calculation results, the structural stability of RDX is higher compared to the RDX without a magnetic field, and the energy gap of the crystal is suppressed by a stronger magnetic field.

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RDX晶体在强磁载荷下的响应及变化机制
为了充分了解环三甲基三胺(cyclotrimethylentriinitramine, RDX)晶体在强磁场暴露下的性能变化,在稳定磁场和交变磁场下对RDX进行了强磁加载。在扫描电镜下研究了RDX晶体在磁场作用下的形态变化。然后通过x射线衍射和拉曼光谱分析了RDX在磁场作用下的晶格变化。采用差示扫描量热法(DSC)和热重分析法(TGA)测定了RDX在磁场作用下的热分解特性。利用正电子湮灭寿命谱对强磁作用后RDX中的微缺陷进行了表征。最后,通过分子动力学模拟计算了RDX在磁场作用下的晶格常数、微观分布、引发键和态密度。结果表明,在稳定的6T高强度磁场照射10小时后,RDX晶体表面出现了更明显的凹槽,并且由于磁场暴露产生的应力,拉曼峰的相对强度可能会发生变化。相比之下,±6T的交变磁场有利于表面小颗粒的剥离,产生更大的应变,导致表面位错。RDX晶体表面具有明显的沟槽和孔洞,呈鱼鳞状结构。暴露于交变磁场后,RDX拉曼光谱的多个波数位置发生了显著变化,表明磁场变化对样品造成了相当大的应变。经强磁场处理后,RDX样品中微孔数量显著增加,微孔长度为4 ~ 5 nm。计算结果表明,与没有磁场的RDX相比,RDX的结构稳定性更高,并且晶体的能隙被更强的磁场抑制。
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来源期刊
RSC Advances
RSC Advances chemical sciences-
CiteScore
7.50
自引率
2.60%
发文量
3116
审稿时长
1.6 months
期刊介绍: An international, peer-reviewed journal covering all of the chemical sciences, including multidisciplinary and emerging areas. RSC Advances is a gold open access journal allowing researchers free access to research articles, and offering an affordable open access publishing option for authors around the world.
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