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Journal of Phase Equilibria and Diffusion最新文献

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The Reassessment of the Thermodynamic Description of the B-Fe-V System with Focus on the Ternary Phase 以三元相为中心的B-Fe-V体系热力学描述的再评价
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-04-10 DOI: 10.1007/s11669-025-01188-1
Viera Homolová, Aleš Kroupa, Adéla Zemanová, František Kromka
{"title":"The Reassessment of the Thermodynamic Description of the B-Fe-V System with Focus on the Ternary Phase","authors":"Viera Homolová,&nbsp;Aleš Kroupa,&nbsp;Adéla Zemanová,&nbsp;František Kromka","doi":"10.1007/s11669-025-01188-1","DOIUrl":"10.1007/s11669-025-01188-1","url":null,"abstract":"<div><p>In the present work, an update of experimental knowledge and the thermodynamic description of the ternary B-Fe-V system was done with a focus on the V<sub>2</sub>FeB<sub>2</sub> ternary phase. For this purpose, several alloys containing the ternary phase were prepared and were investigated after long-term annealing at 600 and 1080 °C by the methods of scanning electron microscopy, x-ray diffraction, and differential thermal analysis. The obtained results and knowledge about the ternary phase were used to improve the description of the boron-iron-vanadium ternary system. A new model for the ternary phase was used. The thermodynamic parameters for the VB, V<sub>3</sub>B<sub>4</sub>, and Fe<sub>2</sub>B borides were also modified. The calculation performed using the new thermodynamic database achieved a very good agreement with the experimental results.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"239 - 251"},"PeriodicalIF":1.5,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-025-01188-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic, Surface and Viscous Properties of Cu-Fe-Ti Alloys in Liquid State Based on Exponential Temperature-Dependent Interaction Energy Parameters 基于指数温度依赖相互作用能参数的Cu-Fe-Ti合金液相热力学、表面和粘滞性能
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-25 DOI: 10.1007/s11669-025-01186-3
U. Mehta, D. R. Yadav, S. K. Yadav, D. Adhikari
{"title":"Thermodynamic, Surface and Viscous Properties of Cu-Fe-Ti Alloys in Liquid State Based on Exponential Temperature-Dependent Interaction Energy Parameters","authors":"U. Mehta,&nbsp;D. R. Yadav,&nbsp;S. K. Yadav,&nbsp;D. Adhikari","doi":"10.1007/s11669-025-01186-3","DOIUrl":"10.1007/s11669-025-01186-3","url":null,"abstract":"<div><p>The experimental data of the enthalpy of mixing and excess entropy of mixing of binary subsystems Cu-Fe, Fe-Ti, and Cu-Ti of Cu-Fe-Ti ternary liquid alloy were utilized to compute the exponential temperature-dependent interaction energy parameters for excess Gibbs energy of mixing using the Redlich-Kister (R-K) polynomial. The optimized parameters were utilized to calculate the excess Gibbs energy of mixing, enthalpy of mixing, and activity of components in the binary and ternary alloys at temperatures of 1873, 1973, 2073, and 2173 K. The Butler equation was utilized to analyze surface properties, while the Kaptay equation was employed to calculate the viscosity of ternary liquid alloys. The computed values of excess Gibbs energy of mixing, enthalpy of mixing, and activity of components in the binary liquid alloys are in good agreement with the experimental data. The surface tension and viscosity of the ternary alloys are highly influenced by the fluctuations in the bulk amount of Cu. As temperature increases, the surface tension of the ternary alloy decreases in a linear manner, while the viscosity decreases in a non-linear way.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"267 - 278"},"PeriodicalIF":1.5,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117754","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
Correction: Special Issue in Memory of Mats Hillert 更正：纪念马茨·希勒特的特刊
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-19 DOI: 10.1007/s11669-025-01187-2
John Ågren, Qing Chen, Greta Lindwall, Malin Selleby, Wei Xiong, Ursula R. Kattner
{"title":"Correction: Special Issue in Memory of Mats Hillert","authors":"John Ågren,&nbsp;Qing Chen,&nbsp;Greta Lindwall,&nbsp;Malin Selleby,&nbsp;Wei Xiong,&nbsp;Ursula R. Kattner","doi":"10.1007/s11669-025-01187-2","DOIUrl":"10.1007/s11669-025-01187-2","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"294 - 294"},"PeriodicalIF":1.5,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117794","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
Correction: Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems 修正：Bi-Se和Bi-Te二元体系的热力学模型
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-10 DOI: 10.1007/s11669-025-01182-7
Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui
{"title":"Correction: Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems","authors":"Jiaqiang Zhou,&nbsp;Jiong Wang,&nbsp;Biao Hu,&nbsp;Dongyu Cui","doi":"10.1007/s11669-025-01182-7","DOIUrl":"10.1007/s11669-025-01182-7","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"292 - 292"},"PeriodicalIF":1.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117679","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
Correction: Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems With Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data 修正：用有序体心立方相和密度泛函理论数据的四亚格描述对Ti-Al， Ti-Fe和Ti-Al- fe系统的热力学评估
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-08 DOI: 10.1007/s11669-025-01183-6
Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell
{"title":"Correction: Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems With Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data","authors":"Zhi Liang,&nbsp;Ursula Kattner,&nbsp;Kamal Choudharry,&nbsp;Francesca Tavazza,&nbsp;Carelyn Campbell","doi":"10.1007/s11669-025-01183-6","DOIUrl":"10.1007/s11669-025-01183-6","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"293 - 293"},"PeriodicalIF":1.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-025-01183-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Boron Diffusion in Cerium Doped Alpha Titanium and Beta Titanium: First-principles Calculation 硼在铈掺杂α钛和β钛中的扩散：第一性原理计算
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-05 DOI: 10.1007/s11669-025-01181-8
Peipei Liu, Qingqing Liu, Xiping Chen, Xuemin Liang
{"title":"Boron Diffusion in Cerium Doped Alpha Titanium and Beta Titanium: First-principles Calculation","authors":"Peipei Liu,&nbsp;Qingqing Liu,&nbsp;Xiping Chen,&nbsp;Xuemin Liang","doi":"10.1007/s11669-025-01181-8","DOIUrl":"10.1007/s11669-025-01181-8","url":null,"abstract":"<div><p>The effects of Ce substitution on boron incorporation and the diffusion mechanisms of the <i>α</i>-Ti and <i>β</i>-Ti phases were studied by first-principles calculations. The interstitial formation energy, diffusion pathways, energy barriers, and diffusion coefficients of B in both Ti and Ce-doped Ti were calculated. The results indicate that the stable adsorption sites for individual B atoms in <i>α</i>-Ti are octahedral interstitial sites. In <i>β</i>-Ti, stable adsorption sites are octahedral interstitial and tetrahedral interstitial sites. The observed anisotropy in B diffusion within <i>α</i>-Ti reveals that diffusion is energetically more favorable along [000ī] direction, where the diffusion coefficient significantly exceeds that along [ī2ī0] direction. Furthermore, the diffusion energy barrier for B along the T-T pathway in <i>β</i>-Ti is 0.905 eV, which is lower than the corresponding value for B in α-Ti, indicating that the β phase is more favorable for B diffusion. Ce-doped reduces the energy barrier of B diffusion and enhances the B diffusion coefficient in both <i>α</i>-Ti and <i>β</i>-Ti. The calculated results indicate that Ce doping enhances the diffusion of B and facilitates the formation of boride layer in the Ti substrate, which is in line with the conclusions of experimental observations.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"252 - 266"},"PeriodicalIF":1.5,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117568","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
Correction: Experimental Investigation and Thermodynamic Assessment of Phase Equilibria in the Al-Ta-V Ternary System 修正：Al-Ta-V三元体系相平衡的实验研究和热力学评价
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-03-03 DOI: 10.1007/s11669-025-01184-5
Cuiping Wang, Debin Zheng, Zhangcan Zheng, Lianzhang Wu, Jianping Le, Yihui Guo, Yixiong Huang, Jinbin Zhang, Yong Lu, Xingjun Liu
{"title":"Correction: Experimental Investigation and Thermodynamic Assessment of Phase Equilibria in the Al-Ta-V Ternary System","authors":"Cuiping Wang,&nbsp;Debin Zheng,&nbsp;Zhangcan Zheng,&nbsp;Lianzhang Wu,&nbsp;Jianping Le,&nbsp;Yihui Guo,&nbsp;Yixiong Huang,&nbsp;Jinbin Zhang,&nbsp;Yong Lu,&nbsp;Xingjun Liu","doi":"10.1007/s11669-025-01184-5","DOIUrl":"10.1007/s11669-025-01184-5","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"215 - 215"},"PeriodicalIF":1.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638268","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
Correction: Thermodynamic Assessment of the U-Ti-Zr System and Atomic Mobility of its Bcc Phase 修正：U-Ti-Zr体系的热力学评价及其Bcc相的原子迁移率
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-28 DOI: 10.1007/s11669-025-01185-4
Zhehao Qu, Zhenzhi Liu, Yan Zhao, Genfeng Shang, Wei Feng
{"title":"Correction: Thermodynamic Assessment of the U-Ti-Zr System and Atomic Mobility of its Bcc Phase","authors":"Zhehao Qu,&nbsp;Zhenzhi Liu,&nbsp;Yan Zhao,&nbsp;Genfeng Shang,&nbsp;Wei Feng","doi":"10.1007/s11669-025-01185-4","DOIUrl":"10.1007/s11669-025-01185-4","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"59 - 59"},"PeriodicalIF":1.5,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638497","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
Introducing the JPED John E. Morral Best Paper Award 介绍JPED John E. moral最佳论文奖
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-27 DOI: 10.1007/s11669-025-01180-9
{"title":"Introducing the JPED John E. Morral Best Paper Award","authors":"","doi":"10.1007/s11669-025-01180-9","DOIUrl":"10.1007/s11669-025-01180-9","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"1 - 1"},"PeriodicalIF":1.5,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638472","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
Thermodynamic Assessment of the U-Ti-Zr System and Atomic Mobility of Its bcc Phase U-Ti-Zr体系的热力学评价及其bcc相的原子迁移率
IF 1.5 4区 材料科学
Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-24 DOI: 10.1007/s11669-025-01173-8
Zhehao Qu, Zhenzhi Liu, Yan Zhao, Genfeng Shang, Wei Feng
{"title":"Thermodynamic Assessment of the U-Ti-Zr System and Atomic Mobility of Its bcc Phase","authors":"Zhehao Qu,&nbsp;Zhenzhi Liu,&nbsp;Yan Zhao,&nbsp;Genfeng Shang,&nbsp;Wei Feng","doi":"10.1007/s11669-025-01173-8","DOIUrl":"10.1007/s11669-025-01173-8","url":null,"abstract":"<div><p>In the present work, the thermodynamic assessment of the U-Ti-Zr ternary system was performed by using the CALPHAD (Calculation of Phase Diagrams) method based on phase diagram data as well as the reliable thermodynamic descriptions of the U-Ti, U-Zr, and Ti-Zr binary systems. The calculated isothermal sections and vertical section of the U-Ti-Zr system are in good agreement with the experimental results. Subsequently, based on the available experimental diffusion data, the atomic mobility parameters of the U-Ti binary system were assessed by means of DICTRA software. The calculated interdiffusion coefficients and composition profiles of the bcc U-Ti alloys are consistent with the experimental data. On this basis, the kinetic database of the bcc U-Ti-Zr alloys was constructed by extrapolation in combination with reliable atomic mobility parameters of the U-Zr and Ti-Zr binary sub-systems from the literature.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"49 - 58"},"PeriodicalIF":1.5,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638242","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
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