Crystal Research and Technology最新文献_第6页

Masthead: Crystal Research and Technology 4'2021 报头:晶体研究与技术4'2021

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-04-01 DOI: 10.1002/crat.202170017

引用次数: 0

Numerical Simulation of the Hydrodynamics and Mass Transfer in the Cuboid KDP Crystal Growth under the Jet‐Rotating Crystal Method 射流旋转晶体法下长方体KDP晶体生长流体力学和传质的数值模拟

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-29 DOI: 10.1002/crat.202000241

Hang Liu, Mingwei Li, H. Yin, Duanyang Chen, H. Qi

{"title":"Numerical Simulation of the Hydrodynamics and Mass Transfer in the Cuboid KDP Crystal Growth under the Jet‐Rotating Crystal Method","authors":"Hang Liu, Mingwei Li, H. Yin, Duanyang Chen, H. Qi","doi":"10.1002/crat.202000241","DOIUrl":"https://doi.org/10.1002/crat.202000241","url":null,"abstract":"A novel method of crystal growth by introducing jet flow to the pyramidal‐restriction long‐seed growth system of potassium dihydrogen phosphate (KH2PO4, KDP) in rotating crystal method, namely, the jet‐rotating crystal method, is proposed. To evaluate the prospect of this new method, three‐dimensional (3D) time‐dependent numerical simulations of flow and mass transfer involved in the jet‐rotating crystal method are conducted. Compared with the rotating crystal method, the jet‐rotating crystal method can improve the magnitude and distribution homogeneity of the prismatic face supersaturation and obtain high‐quality KDP crystals. The supersaturation on the prismatic face as a function of rotation rate, jet velocity, and crystal size is investigated. The effects of solution flow on mass transfer are analyzed in detail. A further improvement in the magnitude and distribution homogeneity of the prismatic face supersaturation can be observed through designing the jet flow pipes to swing periodically in vertical plane. Besides, the role of natural and forced convection in mass transport is discussed, which indicates that the effects of natural convection can be neglected when the jet velocity is equal to or greater than 0.6 m s–1.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"84 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83375750","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

Polymorphic Control of α and β dl‐Methionine through Swift Cooling Crystallization Process 快速冷却结晶过程中α和β dl -蛋氨酸的多态性控制

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-24 DOI: 10.1002/crat.202000208

M. Suresh, K. Srinivasan

引用次数: 3

Study on the Regulation of Piracetam Crystallization Behavior 吡拉西坦结晶行为调控的研究

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-24 DOI: 10.1002/crat.202000117

R. Xu, Tingting Xu, Guosheng Wang

引用次数: 1

Effect of Change in Valence State of Ga During Annealing on the Structural, Optical, and Electrical Properties of GZO Crystals 退火过程中Ga价态变化对GZO晶体结构、光学和电学性能的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-24 DOI: 10.1002/crat.202100001

Zhen‐Hua Liu, Long Fan, Liping Peng, Jia Li, Yajun Fu, Zhengwei Xiong, Jin Wang, Jin Fang, Tingting Xiao, L. Cao, Wei-Dong Wu

{"title":"Effect of Change in Valence State of Ga During Annealing on the Structural, Optical, and Electrical Properties of GZO Crystals","authors":"Zhen‐Hua Liu, Long Fan, Liping Peng, Jia Li, Yajun Fu, Zhengwei Xiong, Jin Wang, Jin Fang, Tingting Xiao, L. Cao, Wei-Dong Wu","doi":"10.1002/crat.202100001","DOIUrl":"https://doi.org/10.1002/crat.202100001","url":null,"abstract":"In this work, the ZnO:Ga (GZO) single crystals are grown by the chemical vapor transport (CVT) method. The as‐grown crystals are annealed under an oxygen atmosphere at different temperatures. The GZO crystal's structure and its optical and electrical properties are characterized by X‐ray photoelectron spectroscopy (XPS), Raman spectroscopy, X‐ray diffraction (XRD), UV‐VIS spectrophotometry, and variable‐temperature Hall‐effect measurement. The XPS results indicate that the valence states of the majority of gallium atoms in the GZO crystals undergo transition from the metallic (Ga0) to the non‐metallic state (Gax+) with increasing annealing temperature. The Raman and XRD results show that the compressive stress along the biaxial c‐axis on GZO crystals increases gradually with annealing temperature. Meanwhile, the GZO crystal's transmittance within the range of 300 to 1000 nm is improved significantly from being opaque to about 57%. The GZO crystals exhibit a decrease in free‐carrier concentration (1020–1019 cm−3), an increase in carrier mobility (77.8–87.9 cm2/V−1s−1) and resistivity (10−4–10−2 Ω·cm). The annealed GZO crystal's carrier concentration is practically independent of temperature (90–300 K). These results show that the free‐carrier concentrations are affected by the change of valence states in gallium atoms present in the GZO crystal.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"33 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79743778","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

Crystal Morphology Prediction of Olanzapine Forms III and IV 奥氮平III型和IV型晶体形态预测

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-24 DOI: 10.1002/crat.202000215

Q. Lu, Imran Ali, Zhiyun Wei, Jinjin Li

{"title":"Crystal Morphology Prediction of Olanzapine Forms III and IV","authors":"Q. Lu, Imran Ali, Zhiyun Wei, Jinjin Li","doi":"10.1002/crat.202000215","DOIUrl":"https://doi.org/10.1002/crat.202000215","url":null,"abstract":"It is of great significance to explore and predict crystal growth behavior that can target the optimal growth conditions and obtain ideal properties. The ability to effectively treat schizophrenia and other psychoses has led to numerous studies of olanzapine (OZPN) polymorphs. There are four reported anhydrous forms of OZPN, but two of whose crystal morphologies (forms III and IV) are still unavailable in the laboratory. Based on the advanced spiral growth model, this study predicts the crystal morphologies of OZPN forms III and IV from vapor and different solvents (i.e., water, ethyl acetate, ethanol, cyclohexane, and dichloromethane), where the potential energies between dimeric growth units (stronger than specific energy cutoff) are considered as strong bond. It is demonstrated that the growth rate of form III increases with the increase of supersaturation from 1.01 to 1.07. Form III crystallizes from solvents with the block‐like shape, whereas form IV grows with the rectangular shape, that obviously differs from the flat‐square shapes of form I and form II. This mechanistic model is able to apply on various compounds, especially for the crystals with non‐centrosymmetric molecules to obtain important guidance for their experimental preparations.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"16 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88491160","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: 1

Finite Element Simulation of Temperature Distribution in Growth Chamber for Verneuil‐Grown SrTiO3 Crystal Verneuil生长SrTiO3晶体生长室温度分布的有限元模拟

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-22 DOI: 10.1002/crat.202000185

Xudong Liu, Lei Wang, Huiyun Yan, X. Bi, Xudong Sun

引用次数: 0

Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K3Bi6.5(PO4)7.5 新型磷酸盐K3Bi6.5(PO4)7.5的合成、单晶结构和介电性能

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-22 DOI: 10.1002/crat.202000228

Chiraz Falah, Youssef Ben Smida, N. Sdiri, T. Soltani

引用次数: 1

Influence of Geometric Structure and Feeding Behavior of Casting on Freckle Formation during Directional Solidification of a Ni‐Based Single‐Crystal Superalloy 铸件几何结构和喂入行为对Ni基单晶高温合金定向凝固中雀斑形成的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-22 DOI: 10.1002/crat.202000197

Dongyup Han, Weiguo Jiang, Jiu-han Xiao, Kai-wen Li, Yu-zhang Lu, L. Lou

{"title":"Influence of Geometric Structure and Feeding Behavior of Casting on Freckle Formation during Directional Solidification of a Ni‐Based Single‐Crystal Superalloy","authors":"Dongyup Han, Weiguo Jiang, Jiu-han Xiao, Kai-wen Li, Yu-zhang Lu, L. Lou","doi":"10.1002/crat.202000197","DOIUrl":"https://doi.org/10.1002/crat.202000197","url":null,"abstract":"Determining the effect of casting geometric structure on freckle formation is important in designing the directional solidification parameter of single‐crystal superalloy castings. In this research, single‐crystal castings of a third‐generation nickel (Ni)‐based superalloy with different thicknesses and structures are prepared by conventional Bridgman high‐rate‐solidification technique at withdrawal rates of 1, 3, and 6 mm min–1. The experimental results show that the freckles in castings with expansion structures are severer than those with contraction structures at a withdrawal rate of 1 mm min–1, and vice versa at withdrawal rates of 3 and 6 mm min–1. It is found that the larger casting thickness tends to promote the freckle formation at the same withdrawal rate. Furthermore, a lower tendency is displayed at the withdrawal rate of 3 mm min–1 in freckle formation, whereas an increased tendency is displayed at the withdrawal rate of 6 mm min–1. The different withdrawal rates, thicknesses, and structures of casting cause differences in cooling rate, shrinkage flow, and mushy zone morphology, which are believed to be responsible for the tendency of freckle formation.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"36 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80819407","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: 3

The Agglomeration of Niacin Crystals in the Cooling Crystallization Process 烟酸晶体在冷却结晶过程中的结块

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-03-22 DOI: 10.1002/crat.202000209

Lei Wang, Min Su

{"title":"The Agglomeration of Niacin Crystals in the Cooling Crystallization Process","authors":"Lei Wang, Min Su","doi":"10.1002/crat.202000209","DOIUrl":"https://doi.org/10.1002/crat.202000209","url":null,"abstract":"Crystal agglomeration is an important factor that can affect the purity and crystal habit of crystalline products. Agglomeration of niacin crystals in its cooling crystallization and its mechanism is investigated using both experimental and molecular dynamics simulation methods. The magnitude of the interaction energy which is mainly contributed by the hydrogen bond and π–π stacking between the (0 1 1) crystal face and (1 1 −1) crystal face that have both the pyridine and carboxyl groups is the main factor determining the extent of agglomeration of niacin crystal. Besides, the interaction energy increases with the crystallization temperature and the supersaturation of the solution, and hence the agglomeration is more severe. The change of solvent species has minimal effect on the agglomeration of crystals. Besides, the agglomeration situation of carbamazepine and acetaminophen that with similar structures to niacin is also verified using molecular dynamics simulations. The findings in this work can be used to predict, control the agglomeration phenomenon, and optimize the crystallization process of niacin and other substances with similar chemical structure.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"70 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85345454","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: 2