利用数据驱动技术构建通用的查克拉尔斯基增长模型

IF 2.9 4区 工程技术 Q1 MULTIDISCIPLINARY SCIENCES
Natasha Dropka, Milena Petkovic, Christiane Frank‐Rotsch, David Linke, Martin Holena
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引用次数: 0

摘要

Czochralski (Cz)方法被广泛应用于从低蒸气压材料中生长晶体半导体。虽然炉的设计因材料而异,但共用热区组件,如坩埚、支架、加热器、绝缘体和辐射屏蔽,表明了通用Cz炉模型的潜力。本研究的重点是利用电阻加热的Cz炉。数据驱动技术包括决策树(DT)、符号回归(SR)、人工神经网络(ANN)和Shapley加性解释(SHAP),用于研究在各种材料和尺度的大块晶体生长过程中,炉设计、工艺参数和晶体质量之间的关系。DT和SR具有可解释性,ANN具有预测准确性,SHAP通过量化特征重要性来提高模型透明度。该分析探讨了固液界面偏转、Voronkov准则和描述熔炉几何形状、气体成分、晶体和辐射屏蔽热物理性质以及生长条件的21个输入参数之间的相关性。训练数据集包括632个Cz生长的计算流体动力学(CFD)模拟,涉及硅、锗、锑化镓和锑化铟。使用dt进行特征工程以降低输入维数。结果证明了生成通用Cz生长模型的可行性,该模型利用机器学习技术优化不同生长材料、炉配置和生产规模的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Toward a Universal Czochralski Growth Model Leveraging Data‐Driven Techniques
The Czochralski (Cz) method is widely employed for growing crystalline semiconductors from low‐vapor‐pressure materials. Although furnace designs vary depending on the material, shared hot‐zone components, such as crucibles, supports, heaters, insulation, and radiation shields‐indicate the potential for a universal Cz furnace model. This study focuses on Cz furnaces that utilize resistance heating. Data‐driven techniques including Decision Trees (DT), Symbolic Regression (SR), Artificial Neural Networks (ANN), and Shapley Additive exPlanations (SHAP) are applied to investigate the relationships between furnace design, process parameters, and crystal quality during bulk crystal growth across a range of materials and scales. DT and SR are employed for their interpretability, ANN for its predictive accuracy, and SHAP to enhance model transparency by quantifying feature importance. The analysis explores the correlation between solid–liquid interface deflection, the Voronkov criterion, and 21 input parameters describing furnace geometry, gas composition, crystal and radiation shield thermophysical properties, and growth conditions. The training dataset consists of 632 computational fluid dynamics (CFD) simulations of Cz growth involving silicon, germanium, gallium antimonide, and indium antimonide. Feature engineering using DTs is performed to reduce input dimensionality. The results demonstrate the feasibility of generating a universal Cz growth model that utilizes machine learning techniques to optimize performance across diverse grown materials, furnace configurations, and production scales.
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来源期刊
Advanced Theory and Simulations
Advanced Theory and Simulations Multidisciplinary-Multidisciplinary
CiteScore
5.50
自引率
3.00%
发文量
221
期刊介绍: Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics
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