Journal of Phase Equilibria and Diffusion最新文献

{"title":"Correction to: Vaporization Thermodynamics of the WO3-ZnO System","authors":"Andrey S. Smirnov, Nadezhda A. Gribchenkova, Kirill G. Smorchkov, Andrey S. Alikhanyan","doi":"10.1007/s11669-023-01060-0","DOIUrl":"10.1007/s11669-023-01060-0","url":null,"abstract":"","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 4","pages":"606 - 606"},"PeriodicalIF":1.4,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135396054","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":"Experimental Study of the Ni-Se-Sn Phase Diagram Isothermal Sections at 800 K, 1000 K and 1100 K","authors":"Ondrej Zobac,&nbsp;Rudolf Zizka,&nbsp;Pavla Roupcová,&nbsp;Ales Kroupa","doi":"10.1007/s11669-023-01058-8","DOIUrl":"10.1007/s11669-023-01058-8","url":null,"abstract":"<div><p>Three isothermal sections of the Ni-Se-Sn ternary system were experimentally investigated at 800 K, 1000 K and 1100 K in whole composition range. One stable ternary intermetallic phase, Ni_5.62SnSe₂, was confirmed. Solubility up to 15 at.% of tin was observed in the binary phase NiSe. Metastable binary phase Ni₃Se₄ was found at 800 K probably stabilized by third element. Complete isothermal sections at 800 K, 1000 K and 1100 K are proposed in this paper.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 4","pages":"594 - 605"},"PeriodicalIF":1.4,"publicationDate":"2023-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135734182","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":"Phase Equilibria of the Ni-Al-Cr-Y Quaternary System and the Ni-Al-Y Ternary System at 900 °C","authors":"Youzhi Liu,&nbsp;Zhi Li,&nbsp;Wei Yu,&nbsp;Dupei Ma,&nbsp;Yiting Guo,&nbsp;Qiang Wang","doi":"10.1007/s11669-023-01057-9","DOIUrl":"10.1007/s11669-023-01057-9","url":null,"abstract":"<div><p>The phase relationships of the Ni-Al-Cr-Y quaternary system can provide theoretical guidance for the design of MCrAlY (M = Ni and/or Co, Fe) overlay coatings on the surface of superalloys. The 900 °C isothermal section of the Ni-Al-Cr-Y quaternary system with Ni fixed at 55 at.% and the Ni-Al-Y ternary system were studied experimentally by using equilibrated alloys, with x-ray diffraction and scanning electron microscopy with energy dispersive spectroscopy. Thirty three-phase regions were confirmed, and six three-phase regions were determined in the isothermal section of the Y-poor side in Ni-Al-Y ternary system at 900 °C. Aluminium could replace Ni in the line compounds Ni₅Y, Ni₃Y and Ni₂Y; similarly, Ni could replace Al in the line compounds Al₂Y, AlY and Al₂Y₃. The experimental results showed that there are twelve ternary compounds stable at 900 °C, and the τ₁₃-Ni₆Al₁₆Y₃ phase and τ₁₄-NiAl₃Y_2.25 phase are the new ternary compounds found in this work with composition ranges from about 23.5-24.9 at.% Ni, 63.1-64.8 at.% Al, 11.2-12.1 at.% Y and 16.3-17.0 at.% Ni, 47.2-48.2 at.% Al, 35.5-36.8 at.% Y, respectively. In the isothermal section of the Ni-Al-Cr-Y quaternary system at 900 °C with 55 at.% Ni, six four-phase regions were experimentally determined, and one four-phase region was inferred. The results indicated that (Cr) could equilibrate with all phases in the quaternary system. In the present work, no new quaternary compounds were found.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 4","pages":"575 - 593"},"PeriodicalIF":1.4,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49177758","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":"The Isothermal Section of the Phase Diagram of Mg-Co-Ga Ternary System","authors":"Nazar Pavlyuk,&nbsp;Grygoriy Dmytriv,&nbsp;Volodymyr Pavlyuk,&nbsp;Sylvio Indris,&nbsp;Helmut Ehrenberg","doi":"10.1007/s11669-023-01056-w","DOIUrl":"10.1007/s11669-023-01056-w","url":null,"abstract":"<div><p>The isothermal section of the phase diagram of the Mg-Co-Ga ternary system at 200 °C for the full composition range was built. The formation of five ternary compounds was observed. The crystal structures of all ternary compounds: τ₁—MgCo₂Ga₅ (own structure type, <i>Pnnm</i> space group), τ₂—Mg₃Co₂Ga₇ (<i>C</i>2<i>/c</i> space group<i>,</i> own structure type), τ₃—MgCoGa₂ (<i>P</i>2₁<i>/n</i> space group<i>,</i> own structure type), τ₄—Mg_1−xCo_2−yGa_x+y (x = 0.06, y = 0.64) (<i>Cmcm</i> space group<i>,</i> own structure type), τ₅—Mg_1−xCo_2−yGa_x+y (x = 0.10, y = 0.16) (<i>R-</i>3<i> m</i> space group<i>,</i> own structure type) were investigated by means of single crystal diffraction. In addition to ternary compounds, solid solutions based on binary phases are formed in the system. The solid solution MgCo_2−xGa_x (x = 0-1, <i>P</i>6₃<i>/mmc</i> space group, MgZn₂ structure type) represent the largest area of homogeneity. The phase content of alloys was determined by SEM/EDX analysis.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 4","pages":"559 - 574"},"PeriodicalIF":1.4,"publicationDate":"2023-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47065110","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 Neural Network Driven Approach for Characterizing the Interplay Between Short Range Ordering and Enthalpy of Mixing of Binary Subsystems in the NbTiVZr High Entropy Alloy","authors":"Shanker Kumar,&nbsp;Abhishek Kumar Thakur,&nbsp;Vikas Jindal,&nbsp;Krishna Muralidharan","doi":"10.1007/s11669-023-01055-x","DOIUrl":"10.1007/s11669-023-01055-x","url":null,"abstract":"<div><p>Recently high entropy alloys (HEA) have shown remarkable potential due to their extraordinary properties and applications. HEAs are explored to create a new class of materials with an attractive set of properties that are difficult to achieve by conventional materials. Short-range ordering (SRO) is important in determining various materials properties at nanometer scale, such as phase stability. The relationship between SRO and phase stability can be understood through the enthalpy of mixing. Cluster expansion (CE) is often used to understand the relationship between the enthalpy of mixing and SRO parameters. Although exact, CE must be truncated in practice beyond some maximal-sized cluster, leading to truncation errors. In this work, as an alternative, a neural network is trained to understand the relationship between SRO and enthalpy of mixing among the various binary subsystems of <i>NbTiVZr</i> HEA. For training, a large pool of structures and their corresponding correlation functions (or SRO parameters) are generated using the alloy theoretic automated toolkit (ATAT) software for each subsystem. First-principles calculations are used to determine the enthalpy of mixing of these structures. This database is used to train a neural network and the predicted values of enthalpy of mixing from the trained neural network are found to be reasonably accurate and better than the corresponding CE model. The neural network approach is found to clarify the complex relationship between the enthalpy of mixing and SRO, especially when there is a limitation over the number of fitting parameters due to smaller size of databases.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"520 - 538"},"PeriodicalIF":1.4,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-023-01055-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551716","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":"Phase Equilibria in the Cu2S-Cu8SiS6-Cu8GeS6 System and Thermodynamic Functions of Phase Transitions of the Cu8Si(1−X)GeXS6 Argyrodite Phases","authors":"Ulviyya R. Bayramova,&nbsp;Kamala N. Babanly,&nbsp;Eldar I. Ahmadov,&nbsp;Leyla F. Mashadiyeva,&nbsp;Mahammad B. Babanly","doi":"10.1007/s11669-023-01054-y","DOIUrl":"10.1007/s11669-023-01054-y","url":null,"abstract":"<div><p>The phase equilibria of the Cu₂S-SiS₂-GeS₂ system have been studied in the Cu₂S-Cu₈SiS₆-Cu₈GeS₆ composition area. Based on data obtained from differential thermal analysis, powder x-ray diffraction, and SEM-EDS techniques, the T-x diagram of the Cu₈SiS₆-Cu₈GeS₆ boundary system and two internal polythermal sections, as well as the isothermal section at 300 K of the phase diagram and the liquidus surface of the Cu₂S-Cu₈SiS₆-Cu₈GeS₆ system were constructed. The areas of primary crystallization and homogeneity of phases, the nature, and temperatures of invariant and monovariant equilibria were determined. Continuous solid solutions based on both crystalline modifications of the starting compounds of the Cu₈SiS₆-Cu₈GeS₆ boundary system, have been revealed, which are of interest as environmentally friendly functional materials. The temperatures and enthalpies of phase transitions of Cu₈SiS₆ and Cu₈GeS₆ compounds, and Cu₈Si_{(1−<i>X</i>)}Ge_<i>X</i>S₆ solid solutions were determined using differential scanning calorimetry. The entropies of phase transitions for end-member compounds were also calculated. It is shown that the heats and entropies of phase transitions of these phases are anomalously large in comparison with the thermodynamic functions of ordinary polymorphic transitions. Apparently, this is due to a significant increase in the degree of disorder in the cationic sublattice upon transition to the high-temperature ion-conducting phase. It has also been established that the heats of phase transitions of solid solutions are practically equal to the sum of the corresponding functions of the end-member compounds.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"509 - 519"},"PeriodicalIF":1.4,"publicationDate":"2023-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551590","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":"Phase Relationship in the Zr-Mo-Fe(O) System (Zr > 30 at.%) at 1000 °C","authors":"Yule Ren,&nbsp;Jinming Zhu,&nbsp;Jianlie Liang,&nbsp;Jinfeng Ling,&nbsp;Guangfeng Li,&nbsp;Wen Qin,&nbsp;Liyang Fang,&nbsp;Xuehong Cui,&nbsp;Yuechun Fu,&nbsp;Yiyuan Tang","doi":"10.1007/s11669-023-01052-0","DOIUrl":"10.1007/s11669-023-01052-0","url":null,"abstract":"<div><p>The impact of oxygen impurity on phase relationships in the Zr-Mo-Fe system (Zr &gt; 30 at.%) at 1000 °C was investigated by means of x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy analysis. An oxygen-stabilized ternary compound γ-Zr₂(Mo,Fe), derived from Ti₂Ni type Zr₄Fe₂O, with cell parameter of <i>a</i> = 1.2213 nm was observed to be present in the investigated Zr-Mo-Fe alloys. The phase relationships of the Zr-Mo-Fe (O) system at 1000 °C in the Zr-rich corner consist of 3 four-phase regions, i.e., [βZr + λ-Zr(Mo,Fe)₂ + γ-Zr₂(Mo,Fe) + ZrMo₂], [βZr + λ-Zr(Mo,Fe)₂ + γ-Zr₂(Mo,Fe) + Liquid], and [λ-Zr(Mo,Fe)₂ + γ-Zr₂(Mo,Fe) + Liquid + ZrFe₂]. The previously detected Zr₉Mo₄Fe compound was not observed in this work.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"483 - 495"},"PeriodicalIF":1.4,"publicationDate":"2023-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-023-01052-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551695","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":"Thermochemical Properties Over LiCl-KCl-UCl3 Ternary Salt System: Knudsen Effusion Mass Spectrometric Study","authors":"V. Venkata Trinadh,&nbsp;P. Manikandan,&nbsp;Suranjan Bera,&nbsp;C. V. S. Brahmananda Rao,&nbsp;T. S. Lakshmi Narasimhan","doi":"10.1007/s11669-023-01053-z","DOIUrl":"10.1007/s11669-023-01053-z","url":null,"abstract":"<div><p>Vaporisation studies were carried out over the solid region of LiCl(cr), KCl(cr) and liquid region of LiCl-KCl-UCl₃ ternary salt system by using Knudsen Effusion Mass Spectrometry (KEMS) in the temperature range of 715–913 K. Monomeric and dimeric species were observed in the vapour phase in equilibrium with their respective salts, LiCl(cr) and KCl(cr). LiCl(g), Li₂Cl₂(g), KCl(g), K₂Cl₂(g), and UCl₃(g) were the neutral species observed in the equilibrium vapour over ternary salt. Partial pressure–temperature relations for vapour species were derived using in-situ calibration from pressure dependent equilibrium constants as well as using pure silver as external calibrant. Using p-T relations, various heterogeneous reaction equilibria that exist between condensed phase-gas phase and the dissociation equilibra of following gas phase reactions: Li₂Cl₂(g) = 2LiCl(g); K₂Cl₂(g) = 2KCl(g) were evaluated by using 2nd and 3rd law methods. Also, the enthalpies of pressure-independent reactions: LiCl(cr) + LiCl(g) = Li₂Cl₂(g); KCl(cr) + KCl(g) = K₂Cl₂(g) were evaluated by using 3rd law method. Knudsen effusion mass spectrometric studies on LiCl-KCl-UCl₃ ternary salt system were carried out for the first time.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"496 - 508"},"PeriodicalIF":1.4,"publicationDate":"2023-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551668","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":"Co-Sb-Te Phase Equilibria and Co/Sb2Te3 Interfacial Reactions","authors":"Yun-hung Lai,&nbsp;He-cheng Yang,&nbsp;Sinn-wen Chen","doi":"10.1007/s11669-023-01050-2","DOIUrl":"10.1007/s11669-023-01050-2","url":null,"abstract":"<div><p>Sb₂Te₃ is an important thermoelectric material. Co is a potential diffusion barrier. This study examined the electroplated Co/Sb₂Te₃ interfacial reactions at 300  °C, 400 °C and 500 °C. To provide fundamental information and for better understanding the reaction paths, the Co-Sb-Te phase equilibria isothermal sections at these three temperatures are proposed. No ternary compound is found. The 400 °C isothermal section contains (Co), (Sb), (Te), β-CoSb, β-Co_1−xTe, CoSb₃, δ-(Sb₂Te), γ-(SbTe), Sb₂Te₃ and a continuous solid solution γ-Co(Sb,Te)₂. At 500 °C, except for Te being molten, the phase relationships are similar to those at 400 °C. At 300 °C, although γ-CoSb₂ and γ-CoTe₂ have very significant mutual solubilities, they are two separate phases and do not form a continuous solid solution. In the Co/Sb₂Te₃ couple reacted at 300 °C, only one reaction phase, γ-CoTe₂ with Sb solubility, is formed. Similar results are found in the Co/Sb₂Te₃ couple reacted 400 °C, and the reaction phase is the continuous solid solution γ-Co(Sb,Te)₂. Two reaction phases, β-Co_1-xTe and γ-Co(Sb,Te)₂, are found in the couple reacted at 500 °C. The compositional ratio of Sb/Te in the reaction phase remained at 2/3 indicates that Co is the dominating diffusion species. The reaction phases are formed rapidly by Co penetration into the Sb₂Te₃ substrate. A peculiar phenomenon was found with the reaction layer that formed on the side of Co that was not in direct contact with the Sb₂Te₃ substrate which will be further investigated.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"468 - 482"},"PeriodicalIF":1.4,"publicationDate":"2023-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551566","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 Modeling of the Te-X (X = Gd, Dy, Ho) Binary Systems Combined with the First-Principles Method","authors":"Dongyu Cui,&nbsp;Jiong Wang,&nbsp;Jiaqiang Zhou","doi":"10.1007/s11669-023-01051-1","DOIUrl":"10.1007/s11669-023-01051-1","url":null,"abstract":"<div><p>Thermodynamic databases are essential to understanding alloy properties and guiding materials design. In this work, the mixing enthalpies of the liquid phase in the Gd-Te, Dy-Te and Ho-Te binary systems are calculated using Ab-initio Molecular Dynamics (AIMD) simulations and the thermodynamic parameters are determined using the CALculation of PHAse Diagrams (CALPHAD) method combined with the phase equilibrium data and thermodynamic data. The associated solution model is employed to describe the liquid phase of these systems. The sublattice model (Gd,Te)_0.0296(Gd)_0.4(Te)_0.5714, (Dy,Te)_0.0286(Dy)_0.4286(Te)_0.5714 and (Ho,Te)_0.5(Te)_0.5 are utilized to describe Gd₂Te₃, Dy₂Te₃ and HoTe, respectively. The line compounds, i.e. GdTe, DyTe, and DyTe₂, are modeled using the stoichiometric model. The calculated results can describe the experimental and thermodynamic information reported in the literature. In addition, the existence of a liquid-liquid separation in the Dy-rich side in the Dy-Te binary system is proposed in this work.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"44 3","pages":"456 - 467"},"PeriodicalIF":1.4,"publicationDate":"2023-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-023-01051-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"6551796","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}