Crystal Research and Technology最新文献_第7页

(Crystal Research and Technology 4/2024) (水晶研究与技术 4/2024）

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-08 DOI: 10.1002/crat.202470031

引用次数: 0

Mist Chemical Vapor Deposition Using Poorly Soluble Particles as Raw Material 使用溶解性差的颗粒作为原料的雾状化学气相沉积技术

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-08 DOI: 10.1002/crat.202400011

Yuki Yamazaki, Tsubasa Nakamura, Kodai Kato, Kazuhiko Hara, Tetsuya Kouno

引用次数: 0

Masthead: Crystal Research and Technology 4'2024 刊头：晶体研究与技术 4'2024

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-08 DOI: 10.1002/crat.202470032

引用次数: 0

Pressure-Induced Effects on BaPbO3: A Prospectively Valuable Material for Piezoelectric Applications via DFT 压力对 BaPbO3 的影响：通过 DFT 研究压电应用中一种有前景价值的材料

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-08 DOI: 10.1002/crat.202300293

Hussain J. Alathlawi, Saad Tariq, Mawaheb Al-Dossari, A. A. Mubarak, Muhammad Saleem, M. Musa Saad H-E, Mohsin Ali, Bushra Kanwal

{"title":"Pressure-Induced Effects on BaPbO3: A Prospectively Valuable Material for Piezoelectric Applications via DFT","authors":"Hussain J. Alathlawi, Saad Tariq, Mawaheb Al-Dossari, A. A. Mubarak, Muhammad Saleem, M. Musa Saad H-E, Mohsin Ali, Bushra Kanwal","doi":"10.1002/crat.202300293","DOIUrl":"10.1002/crat.202300293","url":null,"abstract":"Employing density functional theory within the Wien2k code, first-principle calculations are conducted to explore the impact of applied pressure up to 80 GPa on the structural, mechanical, thermal, and electronic characteristics of BaPbO3. Demonstrating metallic behavior with ductile attributes, BaPbO3 exhibits a decreasing anisotropic nature under escalating pressure. Evaluation of cubic elastic constants, optimization curves, and enthalpy of formation indicates the compound's mechanical and thermodynamic stability under high pressure conditions. Calculated values of C11 and C44 reflect heightened resistance to unidirectional compression and increased stiffness under pressure. These mechanical properties position BaPbO3 as a promising candidate for diverse industrial applications across varying pressure ranges, including utilization in piezoelectric materials (0–20 GPa) and high-pressure sensors. Additionally, charge density contours suggest a combination of ionic (Ba─Pb) and covalent bonding (Pb─O) within the compound's constituent atoms. The material can exhibit potential applications as a piezoelectric sensor at 0–20 GPa, high-pressure actuators ≈20 GPa, and as a high melting temperature resistive substrate for laser welding and cutting materials.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 6","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140571655","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

The Isothermal and Non-Isothermal Growth Behaviors of Ca2Nb2O7 in Molten Slag 熔渣中 Ca2Nb2O7 的等温和非等温生长行为

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-03 DOI: 10.1002/crat.202300304

Wensheng Han, Mengjie Ran, Chang Chen, Wen Chen

{"title":"The Isothermal and Non-Isothermal Growth Behaviors of Ca2Nb2O7 in Molten Slag","authors":"Wensheng Han, Mengjie Ran, Chang Chen, Wen Chen","doi":"10.1002/crat.202300304","DOIUrl":"10.1002/crat.202300304","url":null,"abstract":"Calcium pyroniobate (Ca2Nb2O7) as a kind of lead-free piezoelectric material has been applied for different fields, but the study of isothermal and non-isothermal growth behaviors of Ca2Nb2O7 in the molten slag is infrequent. In this paper, the in situ thermal analyzer with a single hot thermocouple technique (SHTT) is used to study the growth behaviors of Ca2Nb2O7 in molten slag. In the isothermal temperatures, the Ca2Nb2O7 presents two kinds of growth morphology, including three dimensional (3D) rhombus growth and fibrous one dimensional (1D) growth. The 3D rhombus is grown under the range of 1608 to 1628 K. When the temperature further decreases to 1593 K, the growth behavior of Ca2Nb2O7 becomes fibrous in 1D. Growth velocity affected by the degree of supercooling may account for the phenomenon of two kinds of growth behaviors in different temperatures. In the non-isothermal growth process, the cooling rate over 10 K min−1 contributes to multiple crystal nucleuses growth of Ca2Nb2O7. The cooling rate below 5 K min−1 leads to single nuclear growth. This paper provides a control guideline for Ca2Nb2O7 growth.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 6","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140571557","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

Investigation of the Structural, Mechanical, Electronic, Magnetic, and Thermoelectric Properties of Half Heusler Alloys ZrMnX (X = As, Sb, Te): A DFT-Based Simulation 半 Heusler 合金 ZrMnX（X = As、Sb、Te）的结构、机械、电子、磁性和热电特性研究：基于 DFT 的模拟

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-04-01 DOI: 10.1002/crat.202300166

Thamanna Begum Karimullah, Shobana Priyanka D, Srinivasan M, Punithavelan N

{"title":"Investigation of the Structural, Mechanical, Electronic, Magnetic, and Thermoelectric Properties of Half Heusler Alloys ZrMnX (X = As, Sb, Te): A DFT-Based Simulation","authors":"Thamanna Begum Karimullah, Shobana Priyanka D, Srinivasan M, Punithavelan N","doi":"10.1002/crat.202300166","DOIUrl":"10.1002/crat.202300166","url":null,"abstract":"This study investigates the structural, mechanical, electronic, magnetic, and thermoelectric properties of ZrMnX (X = As, Sb, Te) half Heusler alloys using spin-polarized density functional theory (SPDFT) with WIEN2K code using full potential linearized augmented plane wave(FP- LAPW) technique. Results indicate the ferromagnetic phase’s stability over the non-magnetic phase in all three alloys. Band structures and density of states highlight the half-metallic nature of ZrMnX. These alloys exhibit mechanical stability, ductility, and directional properties. Magnetic moments align with the Slater–Pauling rule. Thermoelectric properties, including Seebeck coefficient, electrical and thermal conductivity, and thermoelectric figure of merit, are evaluated using semi-classical Boltzmann theory. The Seebeck coefficient values for ZrMnX (X = As, Sb, Te) are 144.7, 123.3, and −182.6 µV K−1, respectively at 1200 K with corresponding highest figure of merit 1.0, 0.7, and 1.78. These findings suggest the suitability of these alloys for spintronic devices and high-temperature thermoelectric applications due to their observed spin-polarized character and high figure of merit.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 5","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140571548","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

Effect of Evaporation Temperature and Mg2+ Concentration on the Crystallization of Ammonium Sulfate 蒸发温度和 Mg2+ 浓度对硫酸铵结晶的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-03-26 DOI: 10.1002/crat.202300312

Gaoyong Zi, Bangfu Huang, Langshu Dong, Zhe Shi, Linjing Yang, Liubin Luo

{"title":"Effect of Evaporation Temperature and Mg2+ Concentration on the Crystallization of Ammonium Sulfate","authors":"Gaoyong Zi, Bangfu Huang, Langshu Dong, Zhe Shi, Linjing Yang, Liubin Luo","doi":"10.1002/crat.202300312","DOIUrl":"10.1002/crat.202300312","url":null,"abstract":"This study investigates the influences of the evaporation temperature and Mg2+ concentration on the crystallization of an ammonium sulfate mother liquor. Specifically, their effects on the solubility, metastable zone width, crystallization amount, average particle size, and coefficient of variation of ammonium sulfate are examined through the laser and evaporation crystallization methods. Results show that solubility increases and the metastable zone width narrows with an increase in the evaporation temperature. At an evaporation temperature of 338.15 K, the controllability of the crystallization process improves and explosive nucleation does not easily occur. In this case, crystals with large average particle sizes, regular morphologies, and high crystallinity are obtained. With an increase in the Mg2+ concentration in the solvent, solubility decreases. The added Mg2+ covers the active nucleation sites, thus hindering the nucleation of ammonium sulfate and widening the metastable zone width. At a Mg2+ concentration of 0.9 g L−1 or higher, Mg2+ covers the active surfaces of the grains. This inhibits normal crystal growth and hinders the nucleation and growth of ammonium sulfate crystals, so the crystallization amount of ammonium sulfate significantly reduces.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 6","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140298497","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

Particle Size of Calcium Hydroxide Prepared by Wet Digestion: Influencing Factors and Mechanism 湿法消解制备的氢氧化钙的粒度：影响因素和机理

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-03-18 DOI: 10.1002/crat.202300335

Xin Wang, Ming Wei, Kun Liu, Kuixin Cui, Yahui Yang, Zhongliang Tian

{"title":"Particle Size of Calcium Hydroxide Prepared by Wet Digestion: Influencing Factors and Mechanism","authors":"Xin Wang, Ming Wei, Kun Liu, Kuixin Cui, Yahui Yang, Zhongliang Tian","doi":"10.1002/crat.202300335","DOIUrl":"10.1002/crat.202300335","url":null,"abstract":"The wet dissolution process of lime is an effective approach for synthesizing calcium hydroxide. Process parameters and additives exert influence on the product particle. Among the process parameters, lime particle size, reaction temperature, and time have a significant impact on product particle size, followed by liquid-solid ratio and stirring speed. The experiment proved that reaction time affects product particle size by affecting the crystal growth, while other process parameters affect the particle size by affecting the ion diffusion behavior. In terms of inorganic additives, Ca(OH)2 has minimal effect on product particle size; however, NaOH and CaCl2 can significantly enhance it with a greater dose leading to a larger increase. The experiment proved that Ca(OH)2, NaOH, and CaCl2 influence particle size through their impact on ion diffusion behavior. Regarding organic additives, soluble starch exhibits the greatest effect on product size followed by triethanolamine and polyvinylpyrrolidone K30. The experiment proved that soluble starch, triethanolamine, and polyvinylpyrrolidone K30 affect product particle size by influencing its crystallization position. Finally, an ultrafine slurry of calcium hydroxide was prepared using the lime wet digestion method based on the aforementioned research, with particle size distribution characterized by D10, D50, and D90 values of 0.303, 1.750, and 4.534 µm respectively.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140167428","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 Research and Technology 3/2024) (水晶研究与技术 3/2024）

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-03-12 DOI: 10.1002/crat.202470030

引用次数: 0

Masthead: Crystal Research and Technology 3'2024 刊头：晶体研究与技术 3'2024

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-03-12 DOI: 10.1002/crat.202470029

引用次数: 0