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

Development and Applications of a Thermodynamic Database for Multicomponent Cu Alloys

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-10-15 DOI: 10.1007/s11669-024-01158-z

Biao Hu, Yuchao Shi, Benfu Li, Huixin Liu, Yuling Liu, Yong Du

{"title":"Development and Applications of a Thermodynamic Database for Multicomponent Cu Alloys","authors":"Biao Hu, Yuchao Shi, Benfu Li, Huixin Liu, Yuling Liu, Yong Du","doi":"10.1007/s11669-024-01158-z","DOIUrl":"10.1007/s11669-024-01158-z","url":null,"abstract":"<div>Thermodynamic databases are indispensable in providing phase equilibria and phase transformation for new alloys design and process optimization. The quality of calculated results is strongly dependent on the accuracy of the thermodynamic database. A thermodynamic database for multicomponent copper alloys has been developed, which contains 30 elements covering the major and minor alloying elements of most commercial copper alloys. About 330 binary and 60 ternary systems have been assessed over the entire composition range. Examples of assessments and calculations for typical binary and ternary systems were presented. A wide range of compositions from pure copper to complex commercial copper alloys can be calculated. Scheil solidification simulations were carried out using the thermodynamic database for predicting the phase formation sequence during solidification, as well as phase compositions and phase fractions. In conjunction with a compatible kinetic database, the present established thermodynamic database was used to simulate the microstructure evolution of copper alloys during the ageing process. The simulated results were verified by key experiments, which proves the accuracy of the thermodynamic database established by us.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1141 - 1162"},"PeriodicalIF":1.5,"publicationDate":"2024-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870392","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

A Database for the Fe-Cr-Mo-Ni-N System

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-10-01 DOI: 10.1007/s11669-024-01156-1

Karin Frisk

引用次数: 0

Prof. David E. Laughlin Selected as the 2025 Recipient of the J. Willard Gibbs Phase Equilibria Award 戴维-E.-劳克林（David E. Laughlin）教授当选 2025 年 J. 威拉德-吉布斯相平衡奖得主

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-28 DOI: 10.1007/s11669-024-01148-1

引用次数: 0

Software Tools for Integrating Special Quasirandom Structures and the Cluster Variation Method into the CALPHAD Formalism

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-26 DOI: 10.1007/s11669-024-01151-6

Sayan Samanta, Axel van de Walle

{"title":"Software Tools for Integrating Special Quasirandom Structures and the Cluster Variation Method into the CALPHAD Formalism","authors":"Sayan Samanta, Axel van de Walle","doi":"10.1007/s11669-024-01151-6","DOIUrl":"10.1007/s11669-024-01151-6","url":null,"abstract":"<div>The CALPHAD method provides an effective way to parameterize alloy free energies computed from first-principles. While the Special Quasirandom Structure (SQS) formalism offers a natural and efficient tool to generate input data for disordered solid solution phases, accounting for Short Range Order (SRO) effects in a computationally efficient way presents a challenge. In this work we introduce a Python based software pipeline which utilize the Cluster Variation Method (CVM) method in tandem with the SQS formalism to determine closed-form nonlinear expressions for temperature-dependent SRO corrections to the formation free energies. Our approach, which implements the CVM to any level of accuracy, has been integrated into the sqs2tdb software pipeline. As a proof of concept, we perform a thermodynamic assessment of the Ir-Ru binary alloy with SRO correction and show its effectiveness in accurately reproducing the known experimental phase diagram. We also perform SRO corrections to an equimolar MoNbTaVW SQS and show significant SRO effects at temperatures far above room temperature.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1116 - 1129"},"PeriodicalIF":1.5,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870338","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

Isothermal Phase Diagram of CaO-SiO2-Nb2O5-5 wt.% Fe2O3-TiO2 System at 1100 °C 1100 °C 时 CaO-SiO2-Nb2O5-5 wt.% Fe2O3-TiO2 体系的等温相图

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-26 DOI: 10.1007/s11669-024-01138-3

Zhengyue Liu, Lifeng Sun, Xu Pan, Maofa Jiang

{"title":"Isothermal Phase Diagram of CaO-SiO2-Nb2O5-5 wt.% Fe2O3-TiO2 System at 1100 °C","authors":"Zhengyue Liu, Lifeng Sun, Xu Pan, Maofa Jiang","doi":"10.1007/s11669-024-01138-3","DOIUrl":"10.1007/s11669-024-01138-3","url":null,"abstract":"<div>The phase diagram of the CaO-SiO2-Nb2O5-Fe2O3-TiO2 slag system has important significance for guiding the recycling and utilization processes of metallurgical slags containing niobium and titanium. In this paper, high-temperature equilibrium experiments were conducted at 1100 °C in air atmosphere to investigate the phase equilibria of the CaO-SiO2-Nb2O5-Fe2O3-TiO2 slag system. According to the experimental results, the liquidus surfaces of the liquid + CaTiO3 and liquid + SiO2 equilibrium coexistence regions in the CaO-SiO2-Nb2O5-5wt.% Fe2O3-TiO2 system at 1100 °C in air atmosphere were determined using interpolation and function fitting methods. Finally, the 1100 °C isothermal phase diagrams of the CaO-SiO2-Nb2O5-5 wt.% Fe2O3-TiO2 system were plotted. The composition range of liquid phase region was determined, and the positional relationships of the seven other equilibrium coexistence regions were illustrated.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 5","pages":"849 - 862"},"PeriodicalIF":1.5,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142443265","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

Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-24 DOI: 10.1007/s11669-024-01155-2

Deepjyoti Mukherjee, Henrik Larsson, Joakim Odqvist

引用次数: 0

On the Interactive Use of the Method of Constrained Equilibria in FactSage 论 FactSage 中受限均衡法的互动使用

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-19 DOI: 10.1007/s11669-024-01141-8

Klaus Hack, Pertti Koukkari, Moritz to Baben

引用次数: 0

Experimental Measurements and Kinetic Investigation of Fe-Al Alloy Layer During the Galvanizing Process 镀锌过程中铁铝合金层的实验测量和动力学研究

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-18 DOI: 10.1007/s11669-024-01153-4

Chengliang Xu, Huaxiang Teng, Yun Han, Guangrui Jiang, Huasai Liu, Yan Li

{"title":"Experimental Measurements and Kinetic Investigation of Fe-Al Alloy Layer During the Galvanizing Process","authors":"Chengliang Xu, Huaxiang Teng, Yun Han, Guangrui Jiang, Huasai Liu, Yan Li","doi":"10.1007/s11669-024-01153-4","DOIUrl":"10.1007/s11669-024-01153-4","url":null,"abstract":"<div>Lack of coating adhesion and bare spot defects of hot-dip galvanized steel plates were experimentally investigated, and the Fe-Al alloy layer was analyzed by both experimental methods and kinetic calculations. Scanning electron microscopy, electron probe micro-analyzer and glow discharge spectrometer method were utilized to determine the microstructures and the distribution of elements of the galvanized steel plates. It is discovered that lack of coating adhesion and bare spot defects depend on the quality of the Fe-Al alloy layer. Fe-Al alloy layer (alias inhibition layer) affects the adhesiveness of the alloy coating to the steel plate, and prevents the interdiffusion process of elements between the zinc pot and the coated steel. The kinetic analysis was carried out by means of CALPHAD (CALculation of PHAse Diagrams) method. Because the main constitutuent of Fe-Al alloy layer is Fe2Al5 phase when the Al content in the liquid Zn is kept below 1 wt.%, diffusion models with Fe2Al5 were constructed to investigate the element distribution during the galvanizing process, and the calculated results can reasonably predict the element distribution trend in both the alloy coating and the steel plate. It is shown that besides the wetting reactions of Fe and Al during the galvanizing process, the diffusion behavior of elements also influences the coating quality. In summary, the appropriate control of Fe-Al alloy layer can prominently benefit the surface quality of the galvanized coatings, and the manufacturing parameters, such as strip speed, galvanizing time and zinc pot temperature, act as important factors on the formation of the Fe-Al alloy layer. The optimum combination of the aforementioned parameters may contribute to the improvement of the coating quality.<h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 5","pages":"916 - 928"},"PeriodicalIF":1.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142266556","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 Journal of Phase Equilibria and Diffusion Announces New Associate Editor 相平衡与扩散》杂志宣布新任副主编

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-14 DOI: 10.1007/s11669-024-01147-2

引用次数: 0

Liquidus Surface and Melting Diagram of the Hf-Rh-Ir System Hf-Rh-Ir 系统的液面和熔化示意图

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-09-14 DOI: 10.1007/s11669-024-01149-0

Lyudmila Kriklya, Kostyantyn Korniyenko, Vasyl’ Petyukh, Irina Tikhonova, Victor Novichenko, Anatoliy Samelyuk

{"title":"Liquidus Surface and Melting Diagram of the Hf-Rh-Ir System","authors":"Lyudmila Kriklya, Kostyantyn Korniyenko, Vasyl’ Petyukh, Irina Tikhonova, Victor Novichenko, Anatoliy Samelyuk","doi":"10.1007/s11669-024-01149-0","DOIUrl":"10.1007/s11669-024-01149-0","url":null,"abstract":"<div>The liquidus surface, melting diagram (superposition of the liquidus and solidus surfaces) and Scheil diagram of the Hf-Rh-Ir system are presented for the first time based on results of the study of as-cast alloys using optical microscopy, scanning electron microscopy, electron probe microanalysis, differential thermal analysis and x-ray diffraction techniques taking into account the constitution of the solidus surface. In the Hf-Rh-Ir system a continuous series of solid solutions between isostructural compounds Hf2Rh and Hf2Ir (with the Ti2Ni-type structure), high-temperature modifications of compounds HfRh and HfIr (CsCl-type), HfRh3 and HfIr3 (AuCu3-type), iridium and rhodium (Cu-type), as well as solid solutions based on βHf, compounds Hf5Ir3 and Hf3Rh5 take part in phase equilibria. Two invariant four-phase reactions (peritectic at 1958 °C and transition at 1655 °C) involving liquid and corresponding three-phase equilibria take place in this system.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 5","pages":"879 - 899"},"PeriodicalIF":1.5,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142266596","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