Journal of Phase Equilibria and Diffusion最新文献_第2页

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, 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}

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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

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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

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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, 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}

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

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

引用次数: 0

Assessing the Influence of DSC Parameters on Accurate Determination of Liquidus and Solidus Temperatures of a Medium Carbon Low-Alloy Steel DSC参数对中碳低合金钢液相和固相温度准确测定的影响

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-22 DOI: 10.1007/s11669-025-01178-3

Lydia Benazzouz, Abdelhalim Loucif, Gary Brionne, Chunping Zhang, Paloma Isabel Gallego, Jean-Benoit Lévesque, Naïma Boutarek-Zaourar, Mohammad Jahazi

{"title":"Assessing the Influence of DSC Parameters on Accurate Determination of Liquidus and Solidus Temperatures of a Medium Carbon Low-Alloy Steel","authors":"Lydia Benazzouz, Abdelhalim Loucif, Gary Brionne, Chunping Zhang, Paloma Isabel Gallego, Jean-Benoit Lévesque, Naïma Boutarek-Zaourar, Mohammad Jahazi","doi":"10.1007/s11669-025-01178-3","DOIUrl":"10.1007/s11669-025-01178-3","url":null,"abstract":"<div><p>Differential scanning calorimetry (DSC) is a well-known experimental technique for measuring transformation temperatures such as liquidus and solidus in steels. Precise determination of these temperatures is crucial for accurately setting the solidification model of a large-size casting ingot. Therefore, the objective of this article is to discuss the results obtained with DSC to study the accuracy of determining solidus and liquidus temperatures. In the present study the influences of sample mass, cooling rates and chemical composition were the subject of examination to assess their effects on the variation and reliability of the measured solidus and liquidus for an as-cast steel alloy. The DSC experiments were conducted on two ingot-extracted steel compositions that showed variations, due to macrosegregation. Optical microscopy, scanning electron microscopy equipped with energy dispersive spectroscopy and microhardness measurements were employed to investigate microstructure evolution. Thermodynamic calculations performed using FactSage<sup>®</sup> software showed a significant difference in comparison with the experimental obtained liquidus and solidus temperatures. A 20 mg mass difference increased the solidification interval by 6 °C. Change in the cooling rate resulted in more influence on the deviation of the liquidus temperature than the solidus. Observations revealed an increase in undercooling with the rise in cooling rate, which resulted in shifting the solidification temperature range to lower temperatures. DSC results showed a mass loss after multiple thermal cycles, resulting in notable differences in the liquidus and solidus temperatures, peak shapes, and amplitudes. The results are discussed in terms of their impact in the optimization of large steel ingot casting.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"119 - 132"},"PeriodicalIF":1.5,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638193","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

Direct Kinetic Monte Carlo Simulations of Interdiffusion 相互扩散的直接动力学蒙特卡罗模拟

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-13 DOI: 10.1007/s11669-025-01176-5

P. Sowa, R. Kozubski, G. E. Murch, I. V. Belova

引用次数: 0

Tellurium Oxides: Thermodynamics and Phase Relations in the Te–O System 碲氧化物：Te-O体系的热力学和相关系

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-13 DOI: 10.1007/s11669-025-01175-6

S. Gossé

{"title":"Tellurium Oxides: Thermodynamics and Phase Relations in the Te–O System","authors":"S. Gossé","doi":"10.1007/s11669-025-01175-6","DOIUrl":"10.1007/s11669-025-01175-6","url":null,"abstract":"<div><p>The Te–O phase diagram and the TeO<sub>2</sub> thermodynamic properties are of interest for many industrial fields: nuclear applications, steel making industry and chalcogenide glass processes. Both, the thermodynamic properties and phase diagram of this relevant binary system were reviewed and assessed using the Calphad method. From this assessment, the standard Gibbs free energy and corresponding heat capacity of the binary oxides are calculated as:</p><div><div><span>$$begin{gathered} Delta_{{text{f}}} {text{G}}_{{{text{TeO}}_{2} }}^{ circ } left( {{text{KJ}} cdot {text{mol}}^{ - 1} } right) = - 109.646 + 0.1034 cdot T - 0.0064 cdot T cdot ln (T) hfill {text{C}}_{{{text{p}}_{{{text{TeO}}_{2} }} }} left( {{text{J}} cdot {text{K}} cdot {text{mol}}^{ - 1} } right) = 19.59 + 0.0101 cdot {text{T}} - 1.6 cdot 10 ^{- 6}.T^{2} - 186517 cdot T^{ - 2} hfill end{gathered}$$</span></div></div><div><div><span>$$begin{gathered} Delta_{{text{f}}} {text{G}}_{{{text{Te}}_{2} {text{O}}_{5} }}^{ circ } left( {{text{KJ}} cdot {text{mol}}^{ - 1} } right) = - 104.81 + 0.1175 cdot T - 0.0077 cdot T cdot ln (T) hfill {text{C}}_{{{text{p}}_{{{text{Te}}_{2} {text{O}}_{5} }} }} left( {{text{J}} cdot {text{K}}^{ - 1} cdot {text{mol}}^{ - 1} } right) = 19.86 + 0.0091 cdot T - 285181 cdot T^{ - 2} hfill end{gathered}$$</span></div></div><div><div><span>$$begin{gathered} Delta_{{text{f}}} {text{G}}_{{{text{TeO}}_{3} }}^{ circ } left( {{text{KJ}} cdot {text{mol}}^{ - 1} } right) = - 92.79 + 0.111 cdot T - 0.00776 cdot T cdot ln (T) hfill {text{C}}_{{{text{PTeO}}_{3} }} left( {{text{J}} cdot {text{K}}^{ - 1} cdot {text{mol}}^{ - 1} } right) = 17.475 + 0.013 cdot {text{T}} - 2.085 cdot 10^{ - 6} cdot T^{2} - 280000 cdot T^{ - 2} hfill end{gathered}$$</span></div></div></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"20 - 30"},"PeriodicalIF":1.5,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-025-01175-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638217","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

Interdiffusion in the Al-V System in the 800-1000 °C Temperature Range 800 ~ 1000℃范围内Al-V体系的相互扩散

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-08 DOI: 10.1007/s11669-025-01179-2

V. M. Silveira, N. Chaia, K. E. Borowski, A. S. Ramos, E. C. Ramos, C. A. Nunes, G. C. Coelho

{"title":"Interdiffusion in the Al-V System in the 800-1000 °C Temperature Range","authors":"V. M. Silveira, N. Chaia, K. E. Borowski, A. S. Ramos, E. C. Ramos, C. A. Nunes, G. C. Coelho","doi":"10.1007/s11669-025-01179-2","DOIUrl":"10.1007/s11669-025-01179-2","url":null,"abstract":"<div><p>Vanadium and its alloys have potential for application as fuel cladding in new fast breeder reactors cooled by sodium. Diffusion aluminide coatings could be a solution of choice in providing protection against high-temperature corrosion by liquid sodium or residual oxygen for these materials. In this work, multilayered coatings were formed on V and V-44Al substrates by halide activated pack cementation, using CrCl<sub>3</sub> as transport agent and pure aluminum (high activity) as master alloy. Two types of diffusion couples, V/Al and V-44Al/Al, were investigated in order to determine the growth kinetics of the aluminide compounds in the 800-1000 °C temperature range. The growth of the saturated V<sub>ss</sub> as well as of the VAl<sub>3</sub> and V<sub>5</sub>Al<sub>8</sub> layers was controlled exclusively by solid state diffusion following a parabolic law, allowing the determination of the parabolic growth constants. Wagner’s analysis was adopted to calculate the integrated interdiffusion coefficients, resulting in values ranging approximately from 10<sup>−10</sup> to 10<sup>−12</sup> cm<sup>2</sup>/s for temperatures between 800 and 1000 °C. In general, VAl<sub>3</sub> has the highest <span>({widetilde{text{D}}}_{text{int}})</span> values in relation to those of the other two layers, considering the nominal temperatures (except for 1000 °C).</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"204 - 214"},"PeriodicalIF":1.5,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638520","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