Crystal Research and Technology最新文献

Determination of Thermal Properties of Carbon Materials above 2000 °C for Application in High Temperature Crystal Growth 测定 2000 °C 以上碳材料的热性能，以应用于高温晶体生长

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-08-07 DOI: 10.1002/crat.202400080

Jonas Ihle, Peter J. Wellmann

引用次数: 0

Development of the VGF Crystal Growth Recipe: Intelligent Solutions of Ill‐Posed Inverse Problems using Images and Numerical Data VGF晶体生长配方的发展:利用图像和数值数据智能解决不适定反问题

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2023-08-23 DOI: 10.1002/crat.202300125

N. Dropka, M. Holeňa, Cornelia Thieme, Ta-Shun Chou

{"title":"Development of the VGF Crystal Growth Recipe: Intelligent Solutions of Ill‐Posed Inverse Problems using Images and Numerical Data","authors":"N. Dropka, M. Holeňa, Cornelia Thieme, Ta-Shun Chou","doi":"10.1002/crat.202300125","DOIUrl":"https://doi.org/10.1002/crat.202300125","url":null,"abstract":"Development of the Vertical Growth Freeze crystal growth process is a typical example of solving the ill‐posed inverse problem, which violates one or more of Hadamard's well‐posedness criteria of solution existence, uniqueness, and stability. In this study, different data‐driven approaches are used to solve inverse problems: Reduced Order Modelling method of Proper Orthogonal Decomposition with Inverse Distance weighting (ROM POD InvD), an approximation method of Kriging and Artificial Neural Networks (ANN) employing images, combination of images and numerical data and solely numerical data, respectively. The ≈200 training data are generated by Computational Fluid Dynamics (CFD) simulations of the forward problem. Numerical input data are related to the temperatures and coordinates in 10 characteristic monitoring points in the melt and crystal, while the image input data are related to the interface shape and position. Using the random mean squared error as a criterion, the Kriging method based on images and numerical data and the ANN method based on numerical data are able to capture the system behavior more accurately, in contrast to the ROM POD InvD method, which is based solely on images.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"116 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84068718","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

Masthead: Crystal Research and Technology 12'2021 报头:Crystal Research and Technology 12'2021

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-12-01 DOI: 10.1002/crat.202170033

引用次数: 0

(Crystal Research and Technology 12/2021) (晶体研究与技术12/2021)

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-12-01 DOI: 10.1002/crat.202170032

引用次数: 0

Masthead: Crystal Research and Technology 11'2021 报头:晶体研究与技术11'2021

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-11-01 DOI: 10.1002/crat.202170031

引用次数: 0

(Crystal Research and Technology 11/2021) (晶体研究与技术11/2021)

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-11-01 DOI: 10.1002/crat.202170030

引用次数: 0

Effect of Temperature and pH on Calcium Phosphate Precipitation 温度和pH对磷酸钙沉淀的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-10-20 DOI: 10.1002/crat.202100094

H. Vilela, M. C. Rodrigues, B. Fronza, R. B. Trinca, F. M. Vichi, R. Braga

{"title":"Effect of Temperature and pH on Calcium Phosphate Precipitation","authors":"H. Vilela, M. C. Rodrigues, B. Fronza, R. B. Trinca, F. M. Vichi, R. Braga","doi":"10.1002/crat.202100094","DOIUrl":"https://doi.org/10.1002/crat.202100094","url":null,"abstract":"Calcium orthophosphates (CaP) synthesis involves several chemical equilibria that define the phases present in the final product. From the biomaterials standpoint, it is important to gain knowledge on how synthesis parameters affect phase formation and particle size. This study evaluates the interaction between temperature (24 or 45 °C) and pH conditions (4.5, 6.5, or drifting) on CaP precipitation in terms of yield, phase formation, density, morphology, and size distribution. Calcium and phosphate solutions (Ca/P = 1.0) are mixed and kept under stirring for 3 h. The precipitate is freeze‐dried and characterized. Under drifting pH and pH 4.5, dicalcium phosphate dihydrate (DCPD, CaHPO4 × 2H2O) is the predominant phase at both temperatures; however, some samples also present peaks ascribed to dicalcium phosphate anhydrous (DCPA, CaHPO4). At pH 6.5, diffractograms reveal a mixture of low‐crystallinity DCPD and DCPA (24 °C) or low crystallinity hydroxyapatite [HAP, Ca10(OH)2(PO4)6] (45 °C). In spite of the different morphologies (plates or aggregates), particle size remains within a relatively narrow range (D50 = 12–28 µm). DCPD precipitation is favored under more acidic or drifting pH, while HAP is formed under nearly neutral pH 6.5.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"48 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87928394","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: 7

Amorphous Porous Molybdenum Dioxide as an Efficient Supercapacitor Electrode Material 非晶多孔二氧化钼作为高效超级电容器电极材料

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-10-10 DOI: 10.1002/crat.202100083

Shuhua Liu, Li Tian, Xiang Qi

{"title":"Amorphous Porous Molybdenum Dioxide as an Efficient Supercapacitor Electrode Material","authors":"Shuhua Liu, Li Tian, Xiang Qi","doi":"10.1002/crat.202100083","DOIUrl":"https://doi.org/10.1002/crat.202100083","url":null,"abstract":"Molybdenum dioxide (MoO2) with amorphous and porous nanostructure is synthesized via a facile hydrothermal methodology in a short reaction time and used as a supercapacitors electrode material. X‐ray diffraction, transmission electron microscopy and cyclic voltammetry, galvanostatic charge–discharge measurements, and cycle stability tests of the amorphous and porous MoO2 are investigated. The novel‐innovative structure conduces to the high specific capacity of 444.7 F g−1 at 1 A g−1 in 0.5 m H2SO4 solution. After 1000 cycles, 92% capacity is retained, indicating that the as‐prepared electrodes possess excellent stabilities. Furthermore, at a high current density of 8 A g−1, the capacity can reach 210.67 F g−1, exhibiting outstanding rate characteristics. The amorphous and porous MoO2 achieves preeminent electrochemical performance, which can be attributed to the short ion diffusion routes and can provide reversible and fast faradic reactions and the porous structure will increase the utilization of the electrode materials. Besides that, the amorphous and porous MoO2 will let each MoO2 nanoparticles to participate in electrochemical reactions due to the full contact between electrolyte and MoO2. Therefore, MoO2 will be a promising anode material for aqueous supercapacitors.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"13 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77082015","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

Effect of Solvent Properties on the Growth, Morphology, and Second Harmonic Generation Ability of 4‐Aminobenzophenone (ABP) Single Crystals 溶剂性质对4 -氨基苯甲酮(ABP)单晶生长、形貌及二次谐波生成能力的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-10-10 DOI: 10.1002/crat.202000246

Mythili Aruchamy, Srinivasan Karuppannan

{"title":"Effect of Solvent Properties on the Growth, Morphology, and Second Harmonic Generation Ability of 4‐Aminobenzophenone (ABP) Single Crystals","authors":"Mythili Aruchamy, Srinivasan Karuppannan","doi":"10.1002/crat.202000246","DOIUrl":"https://doi.org/10.1002/crat.202000246","url":null,"abstract":"One of the best‐known benzophenone derivatives for nonlinear optical applications, 4‐aminobenzophenone (ABP), is grown as single crystals from saturated solutions employing fast and slow evaporation methodologies with different solvent environments by means of varied dipole moment, viscosity, and evaporation rates such as toluene, ethanol, methanol, ethyl acetate, acetone, dimethyl formamide, dimethylsulfoxide (DMSO), and a mixture of ethanol‐DMSO (1:1) at 32 °C. Variation in the solubility determined by gravimetric analysis, end‐crystal morphology perceived through in‐situ optical microscopy, and origination of growth defects observed along different crystallographic directions are investigated based on the solute‐solvent interactions permissible according to the polarity and aforementioned physical properties of the solvents. Bravais‐Friedel‐Donnay‐Harker morphology, crystalline purity, thermal stability, optical transmittance, and infrared vibrational modes are analyzed through the single crystal and powder X‐ray diffraction, differential scanning calorimetry, UV‐visible‐near IR, and Fourier‐transform infrared spectral analyses. The second‐harmonic generation (SHG) ability of the ABP crystals grown with different solvents and solvent mixture is studied through Kurtz and Perry powder technique in comparison with that of the inorganic and organic standards. The results reveal that the ABP crystals grown from mixed solvent environment ethanol:DMSO (1:1) to become eventually with improved quality, size, and SHG ability among the other crystals grown in the present study.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"14 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91150306","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

Effects of Nitrogen Content on the Structural, Mechanical, and Corrosion Properties of ZrN Thin Films Grown on AISI 316L by Radiofrequency Magnetron Sputtering 氮含量对在aisi316l上射频磁控溅射生长ZrN薄膜结构、力学和腐蚀性能的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2021-10-08 DOI: 10.1002/crat.202100096

M. Azibi, N. Saoula, N. Madaoui, H. Aknouche

{"title":"Effects of Nitrogen Content on the Structural, Mechanical, and Corrosion Properties of ZrN Thin Films Grown on AISI 316L by Radiofrequency Magnetron Sputtering","authors":"M. Azibi, N. Saoula, N. Madaoui, H. Aknouche","doi":"10.1002/crat.202100096","DOIUrl":"https://doi.org/10.1002/crat.202100096","url":null,"abstract":"Zirconium nitride films are deposited onto stainless steel AISI 316L and silicon (100) by radio frequency magnetron sputtering at different nitrogen flow ratios [N2/(Ar+N2)] varied between 0 and 0.25). Scanning electron microscope, atomic force microscopy, X‐ray diffraction (XRD), and Raman are used to investigate the surface morphology and microstructure of the thin films. The mechanical and electrochemical properties of all coatings are evaluated and compared with the uncoated AISI 316L to explore the efficiency of surface modification. The XRD and Raman analysis show that all the films are crystalline. This shows that the increased nitrogen content leads to a transformation from hexagonal α‐Zr phase to cubic c‐Zr and then to mixed α‐Zr and face centered cubic c‐ZrN phases. The films deposited with nitrogen flow ratio of 0.2 show the highest hardness of 32.2 GPa. Using the potentiodynamic polarization method, the corrosion behavior of the films is studied in Hank's solution. The comparison between uncoated and coated substrates shows a decrease in corrosion current density for all coated samples.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"24 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78521975","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