Journal of Crystal Growth最新文献_第4页

High-component-consistency X-cut near stoichiometric lithium niobate crystal growth via thermal field and crystal interface modification 高组分浓度x切割近化学计量铌酸锂晶体生长通过热场和晶体界面改性

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-15 Epub Date: 2026-01-06 DOI: 10.1016/j.jcrysgro.2026.128489

Shubo Sun , Huaize Qin , Qilu Liu , Longyue Liang , Fulei Wang , Dongzhou Wang , Yuanhua Sang , Hong Liu

{"title":"High-component-consistency X-cut near stoichiometric lithium niobate crystal growth via thermal field and crystal interface modification","authors":"Shubo Sun , Huaize Qin , Qilu Liu , Longyue Liang , Fulei Wang , Dongzhou Wang , Yuanhua Sang , Hong Liu","doi":"10.1016/j.jcrysgro.2026.128489","DOIUrl":"10.1016/j.jcrysgro.2026.128489","url":null,"abstract":"<div><div>Near stoichiometric Lithium niobate (nsLN) crystals exhibit excellent piezoelectric, electro-optic and non-linear optics characteristics, offering broad applications prospects in radio frequency filters, electro-optic modulators and laser frequency conversion. However, variations in the segregation coefficient with composition changes make it challenging to precisely control crystal growth via the Czochralski method. In this study, the thermal field was carefully designed based on numerical simulations. And high-quality 3-inch X-cut nsLN crystals with low defect density were successfully grown from a lithium-rich melt. The deviation of lithium concentration from the head to the tail was only 0.02 mol%. The optical homogeneity of the 3-inch X-cut wafers reached the 10<sup>−4</sup> cm<sup>−2</sup> level, which was reported for the first time. It is worth noting that the X-cut crystal was more difficult to maintain in a cylindrical shape due to the exposure of special crystal facets compared to the Z-cut crystal. The extra exposed facets were assigned as the (0,5,<span><math><mover><mrow><mn>4</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span>) and (0,1,<span><math><mover><mrow><mn>1</mn></mrow><mrow><mo>¯</mo></mrow></mover></math></span>) attributed to their low surface energy. Additionally, an X-cut nsLN thin film with the thickness of 600 nm was successfully fabricated using the Smart Cut method. This result indicates the low residual stress in the as-grown 3-inch X-cut nsLN crystals could meet the requirement of lithium niobate thin film (LNTF) fabrication.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"679 ","pages":"Article 128489"},"PeriodicalIF":2.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient thermal field optimization of PVT simulations for SiC single crystal growth SiC单晶生长PVT模拟的高效热场优化

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-15 Epub Date: 2026-01-10 DOI: 10.1016/j.jcrysgro.2026.128490

Lorenz Taucher , Zaher Ramadan , René Hammer , Stefan Defregger , Peter Auer , Lorenz Romaner

{"title":"Efficient thermal field optimization of PVT simulations for SiC single crystal growth","authors":"Lorenz Taucher , Zaher Ramadan , René Hammer , Stefan Defregger , Peter Auer , Lorenz Romaner","doi":"10.1016/j.jcrysgro.2026.128490","DOIUrl":"10.1016/j.jcrysgro.2026.128490","url":null,"abstract":"<div><div>The physical vapor transport (PVT) method is the most commonly applied growth technique for bulk SiC single crystals. Nowadays, the increasing demand of SiC substrates inevitably requires the adaption of PVT reactors to larger boule diameters. Since the boule quality and the single-crystal yield are primarily dependent on the thermal field inside the growth chamber and its stability, the control and optimization of the thermal conditions are the most crucial aspects to address. In this respect, the temperature difference along the seed, in the source and between source and seed, in addition to the growth temperature, are of particular interest. Due to the quasi-closed nature of the PVT system, <em>in-situ</em> measurements are hardly feasible, making numerical simulations the primary tool for analyzing the thermal field. But, since the high computational demand of these simulations restricts the number of cases that can be practically evaluated, numerical in-depth investigations are constrained. Attributed to this, the present study demonstrates an efficient way for constrained multi-objective optimization of the thermal field of PVT simulations by leveraging the correlation within the data through singular value decomposition (SVD). A 6-inch inductively heated PVT reactor is taken as a representative example and is optimized by combining machine learning models with numerical simulation data and optimization algorithms. In general, this approach enables the identification of optimal process parameters and reactor configurations, while revealing inherent tradeoffs between objectives and operational limitations, regardless of the PVT furnace operation principle (resistive or inductive) or seed crystal diameter (6-inch, 8-inch, etc.). Furthermore, it allows for an in-depth analysis of optimal settings, parameter sensitivities, interdependencies and solution robustness.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"679 ","pages":"Article 128490"},"PeriodicalIF":2.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Continuous antisolvent crystallization of pyrazinamide in a Coiled Flow Inverter device: Optimization by response surface methodology 吡嗪酰胺的连续反溶剂结晶：响应面法优化

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-01 Epub Date: 2026-01-05 DOI: 10.1016/j.jcrysgro.2026.128485

Gargi, Debasis Sarkar

{"title":"Continuous antisolvent crystallization of pyrazinamide in a Coiled Flow Inverter device: Optimization by response surface methodology","authors":"Gargi, Debasis Sarkar","doi":"10.1016/j.jcrysgro.2026.128485","DOIUrl":"10.1016/j.jcrysgro.2026.128485","url":null,"abstract":"<div><div>A recently introduced novel crystallizer is the Coiled Flow Inverter (CFI) device, is a helical coil with repeated 90° bends causing flow inversions. Such a configuration significantly improves radial mixing and creates flow pattern similar to plug flow. This study focuses on optimizing the continuous antisolvent crystallization of pyrazinamide from its acetone solution using cyclohexane as an antisolvent in a CFI device using response surface methodology (RSM). With a general full factorial design, the effects of independent variables such as CFI geometry (number of 90° bends) and ultrasonic amplitudes on crystal yield and mean crystal size were thoroughly investigated. Under silent conditions, increasing the number of 90° bends from 0 to 3 increased the crystal yield from 56% to 67% with decrease in crystal sizes. The maximum crystal yield was obtained at 30% ultrasonic amplitude and the crystal yield became independent of flow inversions at this level of sonication indicating homogenization in the crystallizer. Further experiments under silent conditions with longer residence times lead to increase in crystal yield and crystal size. Regression models were developed with satisfactory <span><math><msup><mrow><mi>R</mi></mrow><mrow><mn>2</mn></mrow></msup></math></span> values. The analysis of the developed RSM models indicate that moderate levels of sonication and flow inversions improve crystal yield, while higher levels of these input variables intensify mixing leading to smaller sized crystals.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"678 ","pages":"Article 128485"},"PeriodicalIF":2.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145922738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A theoretical investigation into primary nucleation behavior for cooling crystallization of Nintedanib esylate in methanol solution by experiments and simulations 通过实验和模拟研究了尼达尼布酯在甲醇溶液中冷却结晶的初成核行为

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-01 Epub Date: 2026-01-05 DOI: 10.1016/j.jcrysgro.2026.128486

Wei Liu , Mengqi Tian , Xin liu , Qinge Zhou , Ting Yang , Jinju Ma , Baozeng Ren

{"title":"A theoretical investigation into primary nucleation behavior for cooling crystallization of Nintedanib esylate in methanol solution by experiments and simulations","authors":"Wei Liu , Mengqi Tian , Xin liu , Qinge Zhou , Ting Yang , Jinju Ma , Baozeng Ren","doi":"10.1016/j.jcrysgro.2026.128486","DOIUrl":"10.1016/j.jcrysgro.2026.128486","url":null,"abstract":"<div><div>In this study, the metastable zone width and the induction time data of Nintedanib esylate (NE) without seed crystals in methanol solution were determined by the laser monitoring method under different operating conditions. The estimation of the nucleation kinetic parameters by different nucleation theories, showed that the metastable zone width broadens with the decrease of the saturation temperature, the reduction of the stirring rate and the increase of cooling rate. The primary nucleation behavior of Nintedanib esylate in methanol solution under different saturation temperatures and supersaturation conditions was investigated by Poisson distribution and regular solution theory. It was found that the growth mode of Nintedanib esylate was continuous. Molecular dynamics simulations indicated that with increasing supersaturation of the methanol solution, the force of action between methanol and Nintedanib esylate molecules weakened. This study provided data support and theoretical basis for the optimisation study of the crystallisation process, crystalliser design and scale-up production of Nintedanib esylate.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"678 ","pages":"Article 128486"},"PeriodicalIF":2.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145922739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Antisolvent-assisted growth of centimeter-scale CsPbBr3 perovskite single crystals: A theory-guided approach 抗溶剂辅助生长厘米级CsPbBr3钙钛矿单晶：一种理论指导方法

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.jcrysgro.2025.128476

I.O. Simonenko, R.G. Nazmitdinov, T.N. Vershinina

{"title":"Antisolvent-assisted growth of centimeter-scale CsPbBr3 perovskite single crystals: A theory-guided approach","authors":"I.O. Simonenko, R.G. Nazmitdinov, T.N. Vershinina","doi":"10.1016/j.jcrysgro.2025.128476","DOIUrl":"10.1016/j.jcrysgro.2025.128476","url":null,"abstract":"<div><div>The fabrication of large, high-quality single crystals (SCs) of all-inorganic cesium lead bromide (CsPbBr<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>) via accessible methods remains a significant challenge. This work presents a systematic approach to optimize the antisolvent vapor-assisted crystallization (AVC) method, where the experimental design is guided by theoretical methods at each step. A synergistic 9:1 (v/v) DMSO/DMF binary solvent is selected to balance solubility and kinetics, a choice rationalized by an analysis of Gutmann’s donor numbers. Subsequently, ethanol is selected as a promising antisolvent by evaluating its properties against key criteria of miscibility and diffusion rate using Hansen Solubility Parameters (HSP) and Fick’s law expressed in terms of saturated vapor pressure. Within this rationally-defined chemical system, the “growth window” is experimentally mapped, identifying an optimal precursor concentration of 0.35 M and a preliminary titration step to induce a controlled metastable state. The optimized protocol consistently yields high-quality, orthorhombic CsPbBr<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> SCs up to 1 cm in size within one week at room temperature. The resulting crystals exhibit high crystallinity and thermal stability up to 550°C.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"678 ","pages":"Article 128476"},"PeriodicalIF":2.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145845596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of 2D VS2 monolayer by atmospheric-pressure CVD: role of sulphur introduction time 常压CVD法合成二维VS2单层：硫引入时间的影响

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-03-01 Epub Date: 2025-12-30 DOI: 10.1016/j.jcrysgro.2025.128483

Abhishek Kumar Pandey, Ajay Kumar Mishra

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Effect of the addition of sodium tripolyphosphate on the fresh and hardened states behavior of artificial gypsum 三聚磷酸钠的加入对人造石膏新鲜态和硬化态行为的影响

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-02-15 Epub Date: 2025-12-17 DOI: 10.1016/j.jcrysgro.2025.128473

Kaouthar Tbini , Haithem Ben Jamaa , Amara Loulizi

{"title":"Effect of the addition of sodium tripolyphosphate on the fresh and hardened states behavior of artificial gypsum","authors":"Kaouthar Tbini , Haithem Ben Jamaa , Amara Loulizi","doi":"10.1016/j.jcrysgro.2025.128473","DOIUrl":"10.1016/j.jcrysgro.2025.128473","url":null,"abstract":"<div><div>Nowadays, artificial gypsums are increasingly used in construction as cheap and versatile material, although their main limitation, in many applications, is their short setting time. The present study was performed to evaluate the effect of sodium tripolyphosphate (STPP, Na<sub>5</sub>P<sub>3</sub>O<sub>10</sub>) at different concentrations (0 to 5 g/l) on artificial gypsum’s setting time, hydration kinetics, and mechanical properties. In addition, scanning electron microscope (SEM), X-ray diffraction (XRD) and Differential Thermogravimetric Analysis (DTA) were used to study the retardant effects on the material’s microstructural composition. The time of setting, compressive and flexural strengths were measured for every STPP concentration. It was observed from the experimental results that STPP has a significant retarding effect on the setting time of artificial gypsum. In fact, for a concentration of 5 g/l of STPP, the setting time shifted from 10 to 283 min. This result is confirmed by the calorimeter test, in which the increase in the concentration of STPP slows down the hydration reaction over time by increasing the time of the start of setting. The flexural strength has shown a slight increase of 6 % at 0.5 g/l concentration of STPP but decreased by 59 % for a 5 g/l concentration of STPP. Furthermore, compressive strength decreased from 3 % for 0.5 g/l of STPP and up to 70 % for 5 g/l STPP. The SEM imaging showed a gradual shift from the densely interlocked needle-like crystals morphology to a larger loosely packed short column and plate-like crystals with an increase in STPP concentration, which explains the drop in the mechanical properties. The XRD results showed the appearance of both dihydrate and anhydrite phases as the dosage of STPP increases. This suggests that the decrease in strength is due to incomplete hydration of the artificial gypsum.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"677 ","pages":"Article 128473"},"PeriodicalIF":2.0,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photochemical synthesis of cis-M(CO)4(pyrazine)2 complexes (M = Cr, Mo, W) for reversible CO sorption with visual color indication 光化学合成顺式M(CO)4（吡嗪）2配合物（M = Cr, Mo， W）对CO的可逆吸附

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-02-15 Epub Date: 2025-12-16 DOI: 10.1016/j.jcrysgro.2025.128472

Minjeong Kim , Nasim Arafat , Huiyeong Ju , Intek Song

引用次数: 0

Numerical modeling of traveling magnetic fields for dopant homogenization in Czochralski β-Ga2O3 growth – a feasibility study chzochralski β-Ga2O3生长中掺杂均匀化的行磁场数值模拟-可行性研究

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-02-15 Epub Date: 2025-12-15 DOI: 10.1016/j.jcrysgro.2025.128463

Gagan Kumar Chappa, Natasha Dropka

{"title":"Numerical modeling of traveling magnetic fields for dopant homogenization in Czochralski β-Ga2O3 growth – a feasibility study","authors":"Gagan Kumar Chappa, Natasha Dropka","doi":"10.1016/j.jcrysgro.2025.128463","DOIUrl":"10.1016/j.jcrysgro.2025.128463","url":null,"abstract":"<div><div>Dopant segregation in β-Ga<sub>2</sub>O<sub>3</sub> crystals significantly compromises device performance by causing non-uniform electrical and optical properties. This study employs three-dimensional numerical simulations to investigate the effect of a traveling magnetic field (TMF) on melt homogenization during Czochralski crystal growth.</div><div>A Multiphysics framework couples heat and species transport with magnetohydrodynamics to quantify convective mixing efficiency, with a focus on solute homogenization. Various Lorentz force density fields generated by the KRIST<span><math><mrow><mover><mrow><mi>MAG</mi></mrow><mo>∼</mo></mover></mrow></math></span>® heaters were applied to the melt. Once the flow reached a fully developed state, a tracer was introduced to evaluate and compare stirring efficiency across the different configurations. Results indicate that TMF application substantially accelerates tracer homogenization, with the most pronounced enhancement observed at field strengths of 75–125 N/m<sup>3</sup>. In the configuration where only the crystal rotates, TMF application with a –90° phase shift reduces homogenization times by approximately 97 % (33 times) compared to baseline conditions. Similarly, in counter-rotating crystal-crucible configurations, homogenization times decreased by 63 % (2.7 times) with a +90° phase shift. These findings collectively demonstrate the feasibility of TMF application as an effective strategy for mitigating dopant segregation and enhancing crystal quality in β-Ga<sub>2</sub>O<sub>3</sub> Czochralski growth.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"677 ","pages":"Article 128463"},"PeriodicalIF":2.0,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis and characterization of WO3 single crystals by physical vapor transport method 物理气相输运法合成WO3单晶及其表征

IF 2 4区材料科学

Journal of Crystal Growth Pub Date : 2026-02-15 Epub Date: 2025-12-19 DOI: 10.1016/j.jcrysgro.2025.128475

A. Kunzmann , O. Kharsah , S. Kunzmann , V. Vinayakumar , D. Segets , J. He , D. Meier , A. Grünebohm , G. Schierning , A.E. Böhmer , M. Kostka , A. Kreyssig , M. Schleberger

引用次数: 0