Machine learning aided simulation of gas distribution systems operating under any vacuum conditions

IF 3.9 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Vacuum Pub Date : 2025-04-01 Epub Date: 2025-01-18 DOI:10.1016/j.vacuum.2025.114045
S. Misdanitis, N. Vasileiadis , D. Valougeorgis
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Abstract

Gas distribution systems operating under any vacuum conditions are critical in technologies such as semiconductor manufacturing, microfluidics, vacuum metallurgy and nuclear fusion. Typical hydrodynamic models fail to predict gas behavior accurately across the wide range of rarefaction conditions encountered in these systems, necessitating computationally intensive mesoscale kinetic modeling. This type of networks may be efficiently simulated by in-house codes, such as ARIADNE, which combines a network solver with a kinetic database of the flow rates of rarefied gas flow through capillaries.
Here, ARIADNE is further enhanced by substituting the flow rates kinetic database with corresponding closed-form expressions, obtained by machine learning techniques, namely symbolic regression (SR). SR expressions, which have been deduced for flows through single pipe elements, are directly incorporated into the network solver and the need of the kinetic database is eliminated. The upgraded code is successfully validated by solving three benchmark gas distribution systems: two moderate scale networks and a very large one representing the primary vacuum system of the ITER fusion reactor. The presented results demonstrate the capability and robustness of the enhanced ARIADΝE code, named ARIADNE-ML, to accurately simulate vacuum systems of arbitrary size and complexity. Since there is no data dependency, the solver becomes more flexible, applicable and scalable across more complex systems without worrying about query bottlenecks, broadening its use in engineering and industrial applications.
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机器学习辅助模拟在任何真空条件下运行的气体分配系统
在任何真空条件下运行的气体分配系统在半导体制造、微流体、真空冶金和核聚变等技术中都是至关重要的。典型的流体动力学模型无法准确预测在这些系统中遇到的大范围稀薄条件下的气体行为,因此需要计算密集型的中尺度动力学模型。这种类型的网络可以通过内部代码有效地模拟,例如ARIADNE,它将网络求解器与稀薄气体流过毛细血管的流速动力学数据库相结合。这里,ARIADNE通过用机器学习技术(即符号回归(SR))获得的相应的封闭形式表达式替换流速动力学数据库来进一步增强。通过单个管道单元推导出的流动SR表达式直接纳入到网络求解器中,从而消除了对动力学数据库的需要。升级后的代码通过求解三个基准气体分配系统(两个中等规模网络和一个代表ITER聚变反应堆主真空系统的超大规模网络)成功地进行了验证。结果表明,改进后的ARIADΝE代码(ARIADNE-ML)能够准确模拟任意大小和复杂度的真空系统。由于没有数据依赖关系,求解器在更复杂的系统中变得更加灵活、适用和可扩展,而无需担心查询瓶颈,从而扩大了其在工程和工业应用程序中的用途。
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来源期刊
Vacuum
Vacuum 工程技术-材料科学:综合
CiteScore
6.80
自引率
17.50%
发文量
0
审稿时长
34 days
期刊介绍: Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences. A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below. The scope of the journal includes: 1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes). 2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis. 3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification. 4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.
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