Multi-scale modeling and simulation of thermal effects of X-ray irradiated aluminum foil
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摘要: 通过多尺度建模模拟，同时考虑电子系统和晶格系统的温度变化，选用TTM-MD模型开展X射线与材料相互作用时的热效应仿真模拟，对X射线辐照铝箔的能量沉积及其在材料内的热传导过程进行深入研究。通过分析X射线能量对铝箔热效应的具体影响，得到了电子和晶格温度、材料密度等物理参数随时间的演化规律。在X射线辐照铝箔的过程中，X射线的能量被铝箔材料吸收并转化为热能，这种加热效应会导致其表面密度下降并逐渐向深层沉积；同时，辐照引起的温度升高还导致了铝箔内部压力的动态响应，先急剧增加后逐渐稳定。Abstract:
Background Aluminum, as a critical constituent material for missile casings, undergoes ablation phase transformation under X-ray irradiation, resulting in structural damage to the surface layer of the missile casing.Purpose The aim of this research is to deeply explore the interaction between X-rays and aluminum materials, observe the key physical phenomena during the process, and understand the mechanism of the thermal effect of X-ray irradiation on aluminum foil.Methods Through multi-scale modeling simulation, while considering the temperature changes of both the electronic system and the lattice system, the TTM-MD model was selected to conduct thermal effect simulation of X-ray interaction with the material. The temperature of the surface electrons of the material was used to characterize the energy of the incident X-rays, in order to simulate the rapid temperature rise process of electrons when X-rays act on the surface of aluminum foil. In-depth research was conducted on the energy deposition of X-rays on the aluminum foil and the heat conduction process within the material.Results By analyzing the specific influence of X-ray energy on the thermal effect of aluminum foil, the evolution laws of physical parameters such as electron and lattice temperatures, and material density over time were obtained. At the same time, the influence laws of X-ray irradiation on the thermal effect of aluminum foil were also explored: During the X-ray irradiation of the aluminum foil, the energy of the X-rays is absorbed by the aluminum foil material and converted into thermal energy. This heating effect leads to a decrease in the surface density of the aluminum foil and its gradual deposition towards the deeper layers. At the same time, the temperature increase caused by the irradiation also results in a dynamic response of the internal pressure of the aluminum foil, which first increases sharply and then gradually stabilizes. The changes in these physical parameters are not only closely related to the irradiation conditions but are also influenced by the inherent properties of the aluminum foil material.Conclusions Through multi-scale modeling and simulation studies, this paper analyzed the specific influence of X-ray energy on the thermal effect of aluminum foil, and obtained the evolution laws of physical parameters such as electron and lattice temperatures, and material density over time. The multi-scale simulation method successfully captured the characteristics of these changes, providing a perspective for understanding the thermal effect of aluminum foil under X-ray irradiation.-
Key words:
- aluminum foil /
- X-ray /
- two-temperature model /
- molecular dynamics /
- TTM-MD
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图 1 铝箔理论模型示意图（红色箭头表示X射线从材料右表面入射）
Figure 1. Schematic diagram of the aluminum foil theoretical model (the red arrow indicates that X-rays enter the material from its upper surface)
图 3 仿真0.5 ps时材料温度随位置变化曲线与一维热方程的解析解曲线对照图
Figure 3. Temperature vs. Position at 0.5 ps: Numerical Simulation vs. Analytical Solution of 1D Heat Equation
图 4 X射线照射下，铝材料内的电子温度随时间和位置的变化过程
Figure 4. The process of the variation of electron temperature within aluminum materials under X-ray irradiation with respect to time and position
图 5 X射线照射下，铝材料的晶格温度随时间和位置的变化过程
Figure 5. The process of the variation of lattice temperature of aluminum materials with time and position under X-ray irradiation
图 6 X射线照射下，铝材料的原子数密度随时间和位置的变化过程
Figure 6. The process of the variation of atomic number density of aluminum materials with time and position under X-ray irradiation
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