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中国物理学会期刊

考虑原子亚稳态的镥金属蒸发过程模拟研究

CSTR: 32037.14.aps.72.20230602

Simulation of lutetium metal evaporation with considering atomic metastable state

CSTR: 32037.14.aps.72.20230602
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  • 镥-177是目前全球医用同位素的研究热点之一, 可使用通过电子束物理气相沉积技术(EB-PVD)辅助生产和加工的镥-176经由反应堆辐照制得. 金属蒸发过程是EB-PVD的重要一环, 金属原子蒸气的各宏观特征量分布将直接影响后续的沉积镀膜过程. 本文基于直接模拟蒙特卡罗方法, 将原子亚稳态引入碰撞假设, 建立了金属蒸发过程的二维和三维模型, 对是否考虑镥原子亚稳态的金属蒸发过程中各宏观特征量进行分析比较, 并对中心处宏观特征量随狭缝开口大小和蒸发源表面温度的变化特点进行讨论. 研究结果表明, 原子亚稳态会导致经过束流装置的金属原子蒸气数密度降低、运动速度和速度的离散程度上升, 同时狭缝开口大小和蒸发源表面温度均会引发金属原子蒸气宏观特征量分布的变化. 在二维模型基础上进行的三维模拟结果与其变化一致, 本工作可为电子束金属蒸发过程的实验研究提供参考和指导.

     

    Lutetium-177, one of the current global research hotspots for medical isotopes, can be produced by reactor irradiation of lutetium-176, which can be produced and processed with the assistance of the electron beam physical vapor deposition (EB-PVD). The metal evaporation process is an important part of EB-PVD, which aims to convert solid metal into metal atomic vapor. The distribution of each macroscopic characteristic quantity, such as thermal population distribution, density distribution, velocity distribution, and temperature distribution of metal atomic vapor, will directly affect the utilization of metal vapor atoms, the subsequent deposition process, and coating process. In this paper, two-dimensional model and three-dimensional model of the metal evaporation process are established based on the direct simulation Monte Carlo method, and atomic metastable state is introduced into the collision assumption. The macroscopic characteristic quantities, such as the number density of metal atomic vapor, the motion velocity and the discrete degree of the total motion velocity in the evaporation process with or without considering the lutetium atomic metastable state, are analyzed and compared. The spatial distribution characteristics of each energy level of metal atomic vapor are observed, and the variation characteristics of the macroscopic characteristic quantities in the center with the slit opening size and the evaporation source surface temperature are discussed. The study results show that the number density of metal vapor passing through the beam flow device decreases, the average velocity in the x-direction and z-direction and the discrete degree of the total motion velocity increase, with the atomic metastable state taken into consideration. The beam flow device intensifies the transformation of the atomic energy level of the metal vapor and changes the physical parameters of the metal atomic vapor. At the same time, the slit opening size and the evaporation source surface temperature trigger off the change of the macroscopic characteristic quantity distribution of the metal vapor, including the degree of anomalous protrusion of each macroscopic characteristic quantity above the slit. The results of the three-dimensional simulation based on the two-dimensional model are consistent with the changes in the order of magnitude of data distribution and spatial distribution pattern, which can serve as a reference and guidance for the experimental study of the electron beam metal evaporation process.

     

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