Pub Date : 2025-04-24DOI: 10.1007/s11669-025-01190-7
{"title":"Thanks to Our Associate Editors, Guest Editors, and Reviewers for Their Critical Contributions in 2024","authors":"","doi":"10.1007/s11669-025-01190-7","DOIUrl":"10.1007/s11669-025-01190-7","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"219 - 220"},"PeriodicalIF":1.5,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117626","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}
Pub Date : 2025-04-10DOI: 10.1007/s11669-025-01188-1
Viera Homolová, Aleš Kroupa, Adéla Zemanová, František Kromka
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 V2FeB2 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, V3B4, and Fe2B borides were also modified. The calculation performed using the new thermodynamic database achieved a very good agreement with the experimental results.
{"title":"The Reassessment of the Thermodynamic Description of the B-Fe-V System with Focus on the Ternary Phase","authors":"Viera Homolová, Aleš Kroupa, Adéla Zemanová, 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}
Pub Date : 2025-03-25DOI: 10.1007/s11669-025-01186-3
U. Mehta, D. R. Yadav, S. K. Yadav, D. Adhikari
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.
{"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, D. R. Yadav, S. K. Yadav, 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}
Pub Date : 2025-03-19DOI: 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, Qing Chen, Greta Lindwall, Malin Selleby, Wei Xiong, 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}
Pub Date : 2025-03-10DOI: 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, Jiong Wang, Biao Hu, 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}
Pub Date : 2025-03-08DOI: 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, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, 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}
The effects of Ce substitution on boron incorporation and the diffusion mechanisms of the α-Ti and β-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 α-Ti are octahedral interstitial sites. In β-Ti, stable adsorption sites are octahedral interstitial and tetrahedral interstitial sites. The observed anisotropy in B diffusion within α-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 β-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 α-Ti and β-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.
{"title":"Boron Diffusion in Cerium Doped Alpha Titanium and Beta Titanium: First-principles Calculation","authors":"Peipei Liu, Qingqing Liu, Xiping Chen, 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}
Pub Date : 2025-02-28DOI: 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, Zhenzhi Liu, Yan Zhao, Genfeng Shang, 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}
Pub Date : 2025-02-27DOI: 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}
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