Journal of Phase Equilibria and Diffusion最新文献

SFE Assessment of Fe–Mn Binary System Using the 3rd Generation Calphad Database: Phase Diagram Re-assessment and Physical Insights 利用第三代calphhad数据库对Fe-Mn二元系统进行SFE评估：相图重新评估和物理见解

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-05-12 DOI: 10.1007/s11669-025-01192-5

Kamran Kaboli, Sedigheh Bigdeli

{"title":"SFE Assessment of Fe–Mn Binary System Using the 3rd Generation Calphad Database: Phase Diagram Re-assessment and Physical Insights","authors":"Kamran Kaboli, Sedigheh Bigdeli","doi":"10.1007/s11669-025-01192-5","DOIUrl":"10.1007/s11669-025-01192-5","url":null,"abstract":"<div><p>The utilization of integrated computational materials engineering (ICME) using third generation calculation of phase diagrams (Calphad) databases holds promise for predicting thermodynamics of materials, leading to time and cost-efficient approaches. This study delves into the complexities of stacking fault energy (SFE) in Fe-Mn binary system using the concept of a 3rd generation Calphad database which is suitable for thermodynamic calculations at low temperatures. Releases of 3rd generation Calphad descriptions for unary Fe and Mn in recent years, motivated the authors to address the SFE using a re-assessment of thermodynamic description for the Fe-Mn binary system. The obtained SFE values are calculated thermodynamically and discussed in relation to the material's behavior and properties. SFE values are computed through a revised thermodynamic method of Olson-Cohen, and the relationship between this quantity and properties of material is discussed. This research not only serves to augment our understanding of SFE and related physical phenomena but also identifies regions where thermodynamic databases can be refined. The effectiveness of ICME and Calphad methodologies is demonstrated, contributing to the advancement of materials design and, consequently, the enhancement of performance and reliability in low-temperature applications.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 2","pages":"221 - 238"},"PeriodicalIF":1.5,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117687","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

Modelling of the Degradation of Fe9Cr Steels in High-Temperature CO2 Fe9Cr钢在高温CO2中的降解模拟

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-05-08 DOI: 10.1007/s11669-025-01191-6

Yilun Gong, Roger C. Reed, Henrik Larsson, Colin Atkinson

引用次数: 0

The Journal of Phase Equilibria and Diffusion Editor’s Choice Awards for 2024 《相平衡与扩散》杂志2024年编辑选择奖

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-04-27 DOI: 10.1007/s11669-025-01189-0

Ursula Kattner

引用次数: 0

Thanks to Our Associate Editors, Guest Editors, and Reviewers for Their Critical Contributions in 2024 感谢我们的副编辑、客座编辑和审稿人在2024年的重要贡献

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2025-04-24 DOI: 10.1007/s11669-025-01190-7

引用次数: 0

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

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, 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}

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

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

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

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, 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