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Crystals
Special Issues
Global Modeling in Crystal Growth
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Global Modeling in Crystal Growth

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (30 September 2016) | Viewed by 46139

Special Issue Editor

Dr. Bing Gao

E-Mail Website
Guest Editor
1. Crystal Growth Dynamics Section, Research Institute for Applied Mechanics (RIAM), Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580, Japan 2. Materials Processing and Modelling, Industrial Process Technology, Materials and Chemistry, SINTEF, Forskningsveien 1, 0314 Oslo, Norway
Interests: modeling in crystal growth; bulk crystal or thin film growth; defect control; dislocations; solar cells; computational fluid dynamics; heat transfer

Special Issue Information

Dear Colleagues,

Crystal growth is a very complex and multi-scale coupling system related to macro-scale processes, such as in heat transfer, heat radiation, gas and impurity transfer, and melt convection, and to micro-scale processes, such as chemical reaction, melting and crystallization, and defect generation. How to better grasp the complex multi-scale coupling system is the key point for growing high-quality crystals.

Global modeling of crystal growth processing can help to quickly understand the complex multi-scale coupling system, and optimize the quality of crystals. Global modeling can also enable us to save huge human and material resources in frontier exploration.

To further stimulate crossfertilization of knowledge among scientists and engineers in global modeling of crystal growth, this issue intends to offer a publication forum for all researchers engaged in this field. We encourage submissions regarding global modeling concerning bulk or thin-film crystal growth. The possible scope includes, without being limtied to, the following topics: metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances. We would also be interested in submissions covering numerical methods, schemes or algorithms, which help in the simulation of crystal growth.

Dr. Bing Gao
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • global modeling
  • macro-scale process
  • micro-scale process
  • bulk or thin-film crystal growth
  • numerical methods
  • schemes or algorithms

Published Papers (6 papers)

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Research

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4609 KiB  
Article
Numerical Study of the Thermal and Flow Fields during the Growth Process of 800 kg and 1600 kg Silicon Feedstock
by Thi Hoai Thu Nguyen, Jyh Chen Chen, Chieh Hu, Chun Hung Chen, Yen Hao Huang, Huang Wei Lin, Andy Yu, Bruce Hsu, Michael Yang and Ray Yang
Crystals 2017, 7(3), 74; https://doi.org/10.3390/cryst7030074 - 03 Mar 2017
Cited by 6 | Viewed by 4258
Abstract
Two-dimensional (2D) transient numerical simulations are performed to investigate the evolution of the thermal and flow fields during the growth of multi-crystalline silicon ingots with two different silicon feedstock capacities, 800 kg and 1600 kg. The simulation results show that there are differences [...] Read more.
Two-dimensional (2D) transient numerical simulations are performed to investigate the evolution of the thermal and flow fields during the growth of multi-crystalline silicon ingots with two different silicon feedstock capacities, 800 kg and 1600 kg. The simulation results show that there are differences in the structure of the melt flow. In the 1600 kg case, there is a reduction in the concavity of the crystal-melt interface near the crucible wall and an increase in the convexity of the interface at higher solidification fractions. Moreover, the Voronkov ratios, which are indicative of the formation of defects, become lower during the solidification process. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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2042 KiB  
Article
Numerical Modelling of the Czochralski Growth of β-Ga2O3
by Wolfram Miller, Klaus Böttcher, Zbigniew Galazka and Jürgen Schreuer
Crystals 2017, 7(1), 26; https://doi.org/10.3390/cryst7010026 - 17 Jan 2017
Cited by 44 | Viewed by 11054
Abstract
Our numerical modelling of the Czochralski growth of single crystalline β-Ga 2 O 3 crystals (monoclinic symmetry) starts at the 2D heat transport analysis within the crystal growth furnace, proceeds with the 3D heat transport and fluid flow analysis in the crystal-melt-crucible [...] Read more.
Our numerical modelling of the Czochralski growth of single crystalline β-Ga 2 O 3 crystals (monoclinic symmetry) starts at the 2D heat transport analysis within the crystal growth furnace, proceeds with the 3D heat transport and fluid flow analysis in the crystal-melt-crucible arrangement and targets the 3D thermal stress analysis within the β-Ga 2 O 3 crystal. In order to perform the stress analysis, we measured the thermal expansion coefficients and the elastic stiffness coefficients in two samples of a β-Ga 2 O 3 crystal grown at IKZ. Additionally, we analyse published data of β-Ga 2 O 3 material properties and use data from literature for comparative calculations. The computations were performed by the software packages CrysMAS, CGsim, Ansys-cfx and comsol Multiphysics. By the hand of two different thermal expansion data sets and two different crystal orientations, we analyse the elastic stresses in terms of the von-Mises stress. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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3179 KiB  
Article
Role of Internal Radiation in Oxide Crystal Growth by Heat Exchanger Method
by Wencheng Ma and Lijun Liu
Crystals 2017, 7(1), 18; https://doi.org/10.3390/cryst7010018 - 09 Jan 2017
Cited by 2 | Viewed by 5586
Abstract
Internal radiation was investigated using the finite volume method for the heat exchanger method (HEM) growth of oxide crystals. Special attention was devoted to the temperature and thermal stress distributions in the bottom region of the grown crystal at the end of the [...] Read more.
Internal radiation was investigated using the finite volume method for the heat exchanger method (HEM) growth of oxide crystals. Special attention was devoted to the temperature and thermal stress distributions in the bottom region of the grown crystal at the end of the solidification process. The numerical results show that internal radiation strongly strengthens heat transport through the crystal. However, it causes isotherms to intensively concentrate in the crystal bottom region, leading to a significant increase in the temperature gradient and thermal stress in this region. Then, the effect of absorption coefficient on this phenomenon was numerically investigated. It was found that the radiation heat transfer rate at the bottom surface of the crystal monotonically decreases as the absorption coefficient is increased, while the conduction heat transfer rate first increases and then decreases as the absorption coefficient is increased, under the interaction between internal radiation and heat conduction. The variations of the maximum temperature gradient and thermal stress in the crystal bottom show the same tendency as the conduction heat transfer rate. This study indicates that the role of internal radiation on the heat transfer and thermal stress in oxide crystal by HEM process shows some differences from that by Czochralski and Kyropoulos processes. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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10157 KiB  
Article
Development of a CA-FVM Model with Weakened Mesh Anisotropy and Application to Fe–C Alloy
by Weiling Wang, Sen Luo and Miaoyong Zhu
Crystals 2016, 6(11), 147; https://doi.org/10.3390/cryst6110147 - 15 Nov 2016
Cited by 13 | Viewed by 4009
Abstract
In order to match the growth of the decentered square and the evolution of the interface cell in a two-dimensional cellular automaton-finite volume method (CA-FVM) model with decentered square algorithm, the present work first alters the determination of the half length of the [...] Read more.
In order to match the growth of the decentered square and the evolution of the interface cell in a two-dimensional cellular automaton-finite volume method (CA-FVM) model with decentered square algorithm, the present work first alters the determination of the half length of the square diagonal according to the preferential growth orientation, and then modifies the interface evolution considering the contribution of neighboring solid cells. Accordingly, the sharp interface (physical basis of the model), the growth orientation, and the growth consistence are reasonably guaranteed. The CA-FVM model presents some capabilities in predicting the free growth of equiaxed dendrites. With the increase of the cooling rate, the solidification structure gradually changes from cell to dendrite, and the solute segregation becomes more severe. Meanwhile, the predicted solute segregation under the intensive cooling condition is consistent with the calculation by Ueshima model at the initial solidification stage. The predicted competition behavior of columnar dendrites is qualitatively consistent with the observation in the continuously cast steel billet. The predicted dendrite arm spacings are close to the measurements. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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2508 KiB  
Communication
Numerical Analysis of the Combined Influence of Accelerated Crucible Rotation and Dynamic Crucible Translation on Liquid Phase Diffusion Growth of SiGe
by Mandeep Sekhon, Brian Lent and Yanbao Ma
Crystals 2016, 6(9), 116; https://doi.org/10.3390/cryst6090116 - 13 Sep 2016
Cited by 1 | Viewed by 4153
Abstract
The effects of accelerated crucible rotation technique (ACRT) and dynamic translation on liquid phase diffusion (LPD) growth of SixGe1−x single crystals have been separately investigated numerically in earlier works and were found to have a very positive impact on the [...] Read more.
The effects of accelerated crucible rotation technique (ACRT) and dynamic translation on liquid phase diffusion (LPD) growth of SixGe1−x single crystals have been separately investigated numerically in earlier works and were found to have a very positive impact on the LPD growth process. Building upon these findings, in this paper, we study the consequences of imposing both ACRT and dynamic translation on this growth technique. Time-dependent, axisymmetric numerical simulations using moving grid approach have been carried out using finite volume code Ansys Fluent. Crucible translation effect is simulated using dynamic thermal boundary condition. Results are compared to the case in which this growth system is subjected to ACRT only. It is predicted that by combining ACRT with dynamic pulling, excellent axial compositional uniformity can be achieved and growth rate can be improved substantially without significantly compromising on the benefits of employing ACRT. The results show that it is advantageous to utilize the combination of ACRT and dynamic translation during LPD growth rather than using them independently for producing relatively uniform composition SixGe1−x single crystals in a shorter span of time. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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Review

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2835 KiB  
Review
A Review on Polymer Crystallization Theories
by Michael C. Zhang, Bao-Hua Guo and Jun Xu
Crystals 2017, 7(1), 4; https://doi.org/10.3390/cryst7010004 - 29 Dec 2016
Cited by 110 | Viewed by 16190
Abstract
It is the aim of this article to review the major theories of polymer crystallization since up to now we still have not completely comprehended the underlying mechanism in a unified framework. A lack of paradigm is an indicator of immaturity of the [...] Read more.
It is the aim of this article to review the major theories of polymer crystallization since up to now we still have not completely comprehended the underlying mechanism in a unified framework. A lack of paradigm is an indicator of immaturity of the field itself; thus, the fundamental issue of polymer crystallization remains unsolved. This paper provides an understanding of the basic hypothesis, as well as relevant physical implications and consequences of each theory without too much bias. We try to present the essential aspects of the major theories, and intuitive physical arguments over rigorously mathematical calculations are highlighted. In addition, a detailed comparison of various theories will be made in a logical and self-contained fashion. Our personal view of the existing theories is presented as well, aiming to inspire further open discussions. We expect that new theories based on the framework of kinetics with direct consideration of long-range multi-body correlation will help solve the remaining problems in the field of polymer crystallization. Full article
(This article belongs to the Special Issue Global Modeling in Crystal Growth)
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