Dongxiu Yan , Ziyi Guo , Xue Chen , Kai Li , Jianfu Zhao , Wenrui Hu
{"title":"Rapid prediction of interface morphology and oxygen transportation in crystal growth based on the response surface method","authors":"Dongxiu Yan , Ziyi Guo , Xue Chen , Kai Li , Jianfu Zhao , Wenrui Hu","doi":"10.1016/j.jcrysgro.2024.127935","DOIUrl":null,"url":null,"abstract":"<div><div>In this paper, a two-dimensional (2D) axisymmetric model subjected to the gas shear effect and thermal Marangoni effect is developed. It is highlighted that the growth conditions of pulling rate, gas flow rate, crucible, and crystal rotation rates play important roles in determining the crystal behaviors of interface morphology and oxygen transportation during the crystal growth process. A Kriging-based response surface method (RSM) is proposed to rapidly predict the crystal growth behaviors, indicating that the outputs of interface morphology and oxygen concentration can be predicted by the corresponding input growth conditions. By global sensitivity analysis, the pulling rate is identified as the key factor in determining the interface morphology, while gas flow rate and crucible rotation rate have a greater effect on oxygen transportation. Furthermore, these two inputs with the highest sensitivities are used to construct the response surface and predict unknown oxygen transportation. When compared with the numerical simulations, the presented model proves to be an effective tool for reducing measurement time and improving accuracy in predicting crystal behaviors. Our findings provide important insights into understanding the crystal growth process under different growth conditions and inspire a data-driven method for crystal growth prediction.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127935"},"PeriodicalIF":1.7000,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Crystal Growth","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022024824003737","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
In this paper, a two-dimensional (2D) axisymmetric model subjected to the gas shear effect and thermal Marangoni effect is developed. It is highlighted that the growth conditions of pulling rate, gas flow rate, crucible, and crystal rotation rates play important roles in determining the crystal behaviors of interface morphology and oxygen transportation during the crystal growth process. A Kriging-based response surface method (RSM) is proposed to rapidly predict the crystal growth behaviors, indicating that the outputs of interface morphology and oxygen concentration can be predicted by the corresponding input growth conditions. By global sensitivity analysis, the pulling rate is identified as the key factor in determining the interface morphology, while gas flow rate and crucible rotation rate have a greater effect on oxygen transportation. Furthermore, these two inputs with the highest sensitivities are used to construct the response surface and predict unknown oxygen transportation. When compared with the numerical simulations, the presented model proves to be an effective tool for reducing measurement time and improving accuracy in predicting crystal behaviors. Our findings provide important insights into understanding the crystal growth process under different growth conditions and inspire a data-driven method for crystal growth prediction.
期刊介绍:
The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.