M. R. Tolosa, P. Pedrazzini, G. Castellano, D. Arias, R. González, N. Nieva
{"title":"A Nonconventional Method to Produce Zr Alloys to Study the Fe23Zr6 Intermetallic Compound in the Fe-Zr System","authors":"M. R. Tolosa, P. Pedrazzini, G. Castellano, D. Arias, R. González, N. Nieva","doi":"10.1007/s11669-024-01167-y","DOIUrl":"10.1007/s11669-024-01167-y","url":null,"abstract":"<div><p>A nonconventional method with an arc furnace was used to produce four binary alloys of Fe<sub>79.3</sub>Zr<sub>20.7</sub> nominal atomic compositions with the aim of studying the Fe<sub>23</sub>Zr<sub>6</sub> controversial intermetallic compound. The alloys were manufactured with raw materials with different degrees of purity. The existing phases were identified by x-ray diffraction, semi-quantitative microanalysis by means of a scanning electron microscope with an energy dispersive spectrometer attached, and quantitative microanalysis by using an electron microprobe with a wavelength dispersive spectrometer. The Fe<sub>23</sub>Zr<sub>6</sub> phase, which until now has been observed in grains up to 20 µm in size in arc-furnace samples, was found in millimeter scales in the present work. Moreover, slow cooling of the alloys from the liquid state favors the formation of the Fe<sub>23</sub>Zr<sub>6</sub> compound, regardless of the degree of purity of the heat-treated samples.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"2 - 7"},"PeriodicalIF":1.5,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638352","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}
{"title":"Modeling of Spontaneous Para-equilibrium to Ortho-equilibrium Transition in Cementite Precipitation During Martensite Tempering","authors":"Kaisheng Wu, Qing Chen","doi":"10.1007/s11669-024-01164-1","DOIUrl":"10.1007/s11669-024-01164-1","url":null,"abstract":"<div><p>A model has been developed to simulate the precipitation kinetics of cementite during the tempering of martensitic steels, with a particular focus on the spontaneous transition of the solute partitioning behavior at the cementite/martensite growth interface from initial para-equilibrium (PE) to ortho-equilibrium (OE) conditions. The effect of this transition on the growth kinetics has been discussed and compared with experimental data.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1031 - 1038"},"PeriodicalIF":1.5,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870307","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}
{"title":"Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C","authors":"Masanori Enoki, Kota Takahashi, Hiroshi Ohtani","doi":"10.1007/s11669-024-01162-3","DOIUrl":"10.1007/s11669-024-01162-3","url":null,"abstract":"<div><p>Thermodynamic analysis of the Fe-B-C ternary system was performed using the CALPAHD approach coupled with first principles calculations, and then based on the evaluated thermodynamic parameters, the amounts of segregated B and C in the grain boundary were calculated. The calculated phase diagrams and thermodynamic properties agreed with the experimental data as well as the results of the first principles calculations, and thus highly accurate parameters for this ternary system were evaluated. In using the obtained thermodynamic parameters, the grain boundary segregation behavior of B and C was analyzed by means of the parallel tangent scheme. The Gibbs free energy of the liquid phase obtained in the present work was adopted for that of the grain boundary phase. According to the model, it was confirmed that the amount of segregated B content in the grain boundary of γ -iron decreased the addition of C. Thus, B and C atoms show tendencies to compete for a finite number of segregation sites. When equilibrium precipitates are formed in a matrix phase, the amount of B segregation further decreases due to a solution of B in the borocarbide phases, such as Fe<sub>23</sub>(B,C)<sub>6,</sub> Fe<sub>3</sub>(B,C) Fe<sub>2</sub>(B,C), and Fe(B,C) phases. Therefore, irrespective of the presence or absence of precipitates, the effect of hardenability decreases with the presence of C in steel due to the decreasing segregated B content in the grain boundary.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1244 - 1259"},"PeriodicalIF":1.5,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870297","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}
{"title":"Revisiting the Extension of SGTE Heat Capacity Data to Zero Kelvin: Combining Classical Fit Polynomials with Debye–Einstein Functions","authors":"Ernst Gamsjäger, Manfred Wiessner","doi":"10.1007/s11669-024-01159-y","DOIUrl":"10.1007/s11669-024-01159-y","url":null,"abstract":"<div><p>It is demonstrated in this work that a four parameter Debye–Einstein integral is an excellent fitting function for heat capacity values of pure elements from zero Kelvin to room temperature provided that there are no phase transformations in this temperature range. The standard errors of the four parameters of the Debye–Einstein approach are provided. As examples the temperature dependent molar heat capacities of Fe, Al, Ag and Au are calculated in the temperature range from 0 to 300 K. Standard molar entropies, enthalpies and values of a molar Gibbs energy related function are derived from the molar heat capacities and the values are compared to literature data. The next goal focuses on a seamless transition of these low temperature heat capacities to SGTE (Scientific Group Thermodata Europe) unary data. This can be achieved by penalyzing deviations in the heat capacity values and in their temperature derivatives at the transition point. Whereas the constrained heat capacities of Fe and Al mimic the experimental data, the calculated values deviate considerably in case of Ag and Au. As an alternative a smooth transition in the heat capacities and the temperature derivative is achieved by a switch function employed close to the transition region.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1194 - 1205"},"PeriodicalIF":1.5,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-024-01159-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870261","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}
{"title":"On Gibbs Equilibrium and Hillert Nonequilibrium Thermodynamics","authors":"Zi-Kui Liu","doi":"10.1007/s11669-024-01157-0","DOIUrl":"10.1007/s11669-024-01157-0","url":null,"abstract":"<div><p>During his time at Royal Institute of Technology (Kungliga Tekniska högskolan) in Sweden, the present author learned nonequilibrium thermodynamics from Mats Hillert. The key concepts are the separation of internal and external variables of a system and the definitions of potentials and molar quantities. In equilibrium thermodynamics derived by Gibbs, the internal variables are not independent and can be fully evaluated from given external variables. While irreversible thermodynamics led by Onsager focuses on internal variables though often mixed with external variables. Hillert integrated them together by first emphasizing their differences and then examining their connections. His philosophy was reflected by the title of his book “Phase Equilibria, Phase Diagrams and Phase Transformations” that puts equilibrium, nonequilibrium, and internal processes on equal footing. In the present paper honoring Hillert, the present author reflects his experiences with Hillert and his work in last 40 years and expresses his gratitude for all the wisdom and support from him in terms of “Hillert nonequilibrium thermodynamics” and discusses some recent topics that the present author has been working on.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"965 - 985"},"PeriodicalIF":1.5,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870342","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}
Mathias Desseaux, Bruno Gardiola, Jérôme Andrieux, Christophe Le Bourlot, Sébastien Jaud, Rainer Schmid-Fetzer, Olivier Dezellus
{"title":"New Measurements of Fe Solubility in Liquid Mg up to 1450 °C and Reassessment of the Fe-Mg System","authors":"Mathias Desseaux, Bruno Gardiola, Jérôme Andrieux, Christophe Le Bourlot, Sébastien Jaud, Rainer Schmid-Fetzer, Olivier Dezellus","doi":"10.1007/s11669-024-01152-5","DOIUrl":"10.1007/s11669-024-01152-5","url":null,"abstract":"<div><p>To investigate the Mg<sub>Liq</sub> ↔ Fe<sub>Sol</sub> (Bcc and Fcc) equilibrium up to high temperatures, a suitable protocol for the thermodynamic study of volatile elements was developed. Pure magnesium was melted between 700 and 1450 °C (973 and 1723K) in a low-carbon steel sealed crucible (C35), itself sealed in a tantalum crucible to prevent magnesium leakage. The concentration of iron was characterised by inductively coupled plasma–atomic emission spectroscopy (ICP-AES) and the distribution of iron precipitates was examined by x-Ray tomography. The liquidus composition was measured up to 1450 °C and the results obtained confirm the trend in the literature with, however, significant differences above 1000 °C where a lower Fe solubility is measured in comparison with previous thermodynamic descriptions and the scarce available experimental data in this temperature domain. The existing Calphad model of the binary system was then re-evaluated.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"76 - 90"},"PeriodicalIF":1.5,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638524","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}
{"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><p>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.</p></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}
{"title":"Thermodynamic Properties of Chromium","authors":"J. W. Arblaster","doi":"10.1007/s11669-024-01144-5","DOIUrl":"10.1007/s11669-024-01144-5","url":null,"abstract":"<div><p>The thermodynamic properties of chromium have been evaluated to 3000 K. Selected values include an enthalpy of sublimation of 396.8 ± 4.0 kJ/mol at 298.15 K and a boiling point at one atmospheric pressure (1.01325 bar) of 2987 K. The value for the melting point of chromium is recommended as 2135 ± 5 K on the temperature scale ITS-90.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"46 1","pages":"8 - 19"},"PeriodicalIF":1.5,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638514","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}
{"title":"A Database for the Fe-Cr-Mo-Ni-N System","authors":"Karin Frisk","doi":"10.1007/s11669-024-01156-1","DOIUrl":"10.1007/s11669-024-01156-1","url":null,"abstract":"<div><p>A thermodynamic description of the intermetallic phases in the Fe-Cr-Mo-Ni system is presented based on previously unpublished experimental data in the Cr-Mo-Ni system. A review of experimental information from literature together with the new data provides a reliable base for the assessment. Together with previously published alloy systems, an open database for the Fe-Cr-Mo-Ni-N system is provided. Reliable calculations of the stability of the σ phase in the quaternary Fe-Cr-Mo-Ni system are shown, in support for predicted phase equilibria in super-duplex stainless steel.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1130 - 1140"},"PeriodicalIF":1.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870266","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}
{"title":"Prof. David E. Laughlin Selected as the 2025 Recipient of the J. Willard Gibbs Phase Equilibria Award","authors":"","doi":"10.1007/s11669-024-01148-1","DOIUrl":"10.1007/s11669-024-01148-1","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 5","pages":"823 - 823"},"PeriodicalIF":1.5,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142443169","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}