Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon

This work simulates the morphological evolution process of the solidification interface of silicon crystal. Based on the phase field model of single dendrite growth of pure material in a single-phase system, the control equation of the phase field is re-optimized, and an interface free energy anisot...

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Main Authors: Dianxi Zhang, Xiufan Yang, Huaizhi Wang, Qingjiang Song
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/12/9/1271
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author Dianxi Zhang
Xiufan Yang
Huaizhi Wang
Qingjiang Song
author_facet Dianxi Zhang
Xiufan Yang
Huaizhi Wang
Qingjiang Song
author_sort Dianxi Zhang
collection DOAJ
description This work simulates the morphological evolution process of the solidification interface of silicon crystal. Based on the phase field model of single dendrite growth of pure material in a single-phase system, the control equation of the phase field is re-optimized, and an interface free energy anisotropy equation that can simulate the competitive growth of multiple crystal grains is established. The competitive growth of polysilicon is then simulated and analyzed. The results show that when the degree of undercooling exceeds a certain value, the non-facet crystals are transformed into facet crystals. The main branches in each direction are relatively thick when the anisotropy is small. With increasing anisotropy, the main branches in each direction show gradual thinning, and edges and corners appear on the interface. The dendrites are no longer smooth, and they transform from non-facet crystals to facet crystals. The main branches of different grains inhibit each other when multiple crystal grains compete for growth. The growth of the main branches is curved, which is different from existing branches. The experimental results can more realistically simulate the evolution process of single-crystal silicon and polycrystalline silicon crystal micromorphology.
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spelling doaj.art-58a8c175a2904b01a18c3967ad7d88882023-11-23T15:44:17ZengMDPI AGCrystals2073-43522022-09-01129127110.3390/cryst12091271Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline SiliconDianxi Zhang0Xiufan Yang1Huaizhi Wang2Qingjiang Song3College of Physics and Electronic Science, Anshun University, Anshun 561000, ChinaCollege of Physics and Electronic Science, Anshun University, Anshun 561000, ChinaSchool of Materials Science and Engineering, Qingdao University, Qingdao 266071, ChinaCollege of Physics and Electronic Science, Anshun University, Anshun 561000, ChinaThis work simulates the morphological evolution process of the solidification interface of silicon crystal. Based on the phase field model of single dendrite growth of pure material in a single-phase system, the control equation of the phase field is re-optimized, and an interface free energy anisotropy equation that can simulate the competitive growth of multiple crystal grains is established. The competitive growth of polysilicon is then simulated and analyzed. The results show that when the degree of undercooling exceeds a certain value, the non-facet crystals are transformed into facet crystals. The main branches in each direction are relatively thick when the anisotropy is small. With increasing anisotropy, the main branches in each direction show gradual thinning, and edges and corners appear on the interface. The dendrites are no longer smooth, and they transform from non-facet crystals to facet crystals. The main branches of different grains inhibit each other when multiple crystal grains compete for growth. The growth of the main branches is curved, which is different from existing branches. The experimental results can more realistically simulate the evolution process of single-crystal silicon and polycrystalline silicon crystal micromorphology.https://www.mdpi.com/2073-4352/12/9/1271phase field methodmonocrystalline siliconpolycrystalline siliconpreferred directioncompetitive growth
spellingShingle Dianxi Zhang
Xiufan Yang
Huaizhi Wang
Qingjiang Song
Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
Crystals
phase field method
monocrystalline silicon
polycrystalline silicon
preferred direction
competitive growth
title Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
title_full Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
title_fullStr Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
title_full_unstemmed Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
title_short Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon
title_sort phase field simulation research on the microstructural evolution of monocrystalline and polycrystalline silicon
topic phase field method
monocrystalline silicon
polycrystalline silicon
preferred direction
competitive growth
url https://www.mdpi.com/2073-4352/12/9/1271
work_keys_str_mv AT dianxizhang phasefieldsimulationresearchonthemicrostructuralevolutionofmonocrystallineandpolycrystallinesilicon
AT xiufanyang phasefieldsimulationresearchonthemicrostructuralevolutionofmonocrystallineandpolycrystallinesilicon
AT huaizhiwang phasefieldsimulationresearchonthemicrostructuralevolutionofmonocrystallineandpolycrystallinesilicon
AT qingjiangsong phasefieldsimulationresearchonthemicrostructuralevolutionofmonocrystallineandpolycrystallinesilicon