T. B. Li, X. Y. Liu, W. F. Cheng, C. Tan, Q. R. Yao, J. Wang, G. H. Rao, H. Y. Zhou
{"title":"Experimental Determination of Phase Equilibria in the La-Co-Zr System","authors":"T. B. Li, X. Y. Liu, W. F. Cheng, C. Tan, Q. R. Yao, J. Wang, G. H. Rao, H. Y. Zhou","doi":"10.1007/s11669-024-01135-6","DOIUrl":"10.1007/s11669-024-01135-6","url":null,"abstract":"<div><p>The phase equilibria of the La-Co-Zr ternary system at 873 K and 1073 K were studied for the first time using equilibrated alloys employing scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) and x-ray diffraction (XRD). The crystal structures of the formed phases in La-Co-Zr alloys annealed at 873 K and 1073 K were identified through Rietveld refinement of the XRD results. The SEM-EDS and XRD results reveal that no ternary intermetallic compounds were detected in the La-Co-Zr ternary system and the binary intermetallic compound La<sub>5</sub>Co<sub>19</sub> was not observed in the La-Co binary system. The solid solubility of the third element in the binary La-Co and Co-Zr intermetallic compounds was measured by EDS composition measurements. It was found that the maximum solid solubility of Zr in LaCo<sub>5</sub> and LaCo<sub>13</sub> is 1.8 and 4.0 at.% at 1073 K and it is 2.3 and 4.7 at.% at 873 K, respectively, while the maximum solid solubility of La in Co<sub>23</sub>Zr<sub>6</sub> and Co<sub>2</sub>Zr is 1.3 and 1.6 at.% at 873 K and it is 3.8 and 6.1 at 1073 K. Furthermore, the solid solubility of Zr and La in the other La-Co and Co-Zr intermetallic compounds is negligible. Finally, the La-Co-Zr ternary isothermal sections at 873 K and 1073 K were established.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 4","pages":"804 - 819"},"PeriodicalIF":1.5,"publicationDate":"2024-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141796782","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":"Study on the Oxygen Diffusion Capacity of Black Zirconia by Molecular Dynamic Method","authors":"Fugong Qi, Qing Liu, Jiyu Zhou, Xiangguang Kong, Pengjie Wang, Haimin Ding","doi":"10.1007/s11669-024-01134-7","DOIUrl":"10.1007/s11669-024-01134-7","url":null,"abstract":"<div><p>Improving the oxygen diffusion capacity of solid electrolyte material is an important goal of researchers in recent decades. For this purpose, the blackening of zirconia was considered as a new strategy to enhance its oxygen diffusion capacity. We comparatively investigated the oxygen transport properties of white (YSZ, yttria stabilized zirconia) and black (ZSZ, Zr<sup>3+</sup> stabilized zirconia) zirconia by molecular dynamics simulation. The simulation results show that the ZSZ has the same oxygen diffusion mechanism as YSZ. Furthermore, the ZSZ has a much better oxygen diffusion capacity than YSZ, which is confirmed by the lower minimum oxygen diffusion activation energy of ZSZ (0.37 eV) than that of YSZ (0.46 eV). The different oxygen diffusion capacity between YSZ and ZSZ is attributed to their crystal structure difference. The Zr<sup>3+</sup> ionic radius is much closer to that of Zr<sup>4+</sup> than that of Y<sup>3+</sup>, and it induces smaller lattice distortion in stabilized zirconia to impose a minimal steric blocking effect on the oxygen diffusion process. Therefore, the Zr<sup>3+</sup> is preferred over Y<sup>3+</sup>to enhance the oxygen diffusion capacity of stabilized zirconia and the black YSZ co-doped by Y<sup>3+</sup> and Zr<sup>3+</sup> is proven to be a promising solid electrolyte material with a better oxygen diffusion capacity than YSZ.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 4","pages":"779 - 789"},"PeriodicalIF":1.5,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141744356","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 Binary Ag-In System","authors":"Chih-Chia Bill Chang, C. R. Kao","doi":"10.1007/s11669-024-01133-8","DOIUrl":"10.1007/s11669-024-01133-8","url":null,"abstract":"<div><p>In this work, the phase equilibria of the binary Ag-In system were determined using electron probe microanalysis and differential scanning calorimetry on equilibrated alloys and diffusion couples. The compositions of the phase boundaries of solid phases that are highly scattered in the literature have been precisely determined. The temperatures of the invariant reaction ζ ⇄ γ + L and the polymorphic transformation ζ ⇄ γ are substantially lower than previously reported values. In addition, it was found that the In-rich ζ phase phase-separates after months of room-temperature aging.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 4","pages":"790 - 803"},"PeriodicalIF":1.5,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141744358","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":"Velocity of Volume Fixed Frame and Its Application in Simulating Concentration Profiles in Multicomponent Diffusion","authors":"Kaustubh N. Kulkarni","doi":"10.1007/s11669-024-01132-9","DOIUrl":"10.1007/s11669-024-01132-9","url":null,"abstract":"<div><p>In non-ideal solutions, partial molar volumes change with composition, which means a diffusion process is always accompanied by change in volume of the system. To account for this change in volume while solving diffusion equation, it is necessary to know the velocity of the local center of volume (<span>({U}^{V})</span>). An expression is derived for <span>({U}^{V})</span>, using a treatment that is applicable to a multicomponent system. Simulations of multicomponent diffusion profiles with composition dependent partial molar volumes have been absent in the literature so far. The expression derived in this work is also used to generate diffusion profiles in a hypothetical ternary diffusion couple. Significant difference is observed between the concentration profiles obtained with and without the assumption of constant molar volume. Exact calculation of <span>({U}^{V})</span> also enables the estimation of the expansion or contraction accompanied by diffusion, which in turn would help in assessing diffusion induced stresses and dimensional changes.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 4","pages":"757 - 763"},"PeriodicalIF":1.5,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141643838","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":"Exploring Multicomponent Phase Space to Discover New Materials","authors":"Brian Cantor","doi":"10.1007/s11669-024-01131-w","DOIUrl":"10.1007/s11669-024-01131-w","url":null,"abstract":"<div><p>Multicomponent phase space has been shown to consist of an enormous number of materials with different compositions, the vast majority of which have never been made or investigated, with great potential, therefore, for the discovery of exciting new materials with valuable properties. At the same time, however, the enormous size of multicomponent phase space makes it far from straightforward to identify suitable strategies for exploring the plethora of potential material compositions and difficult, therefore, to be successful in discovering desirable new materials. Unfortunately, all our knowhow and understanding has been developed for materials with relatively few components in relatively limited proportions, with most of our scientific theories relying essentially on linear assumptions of component dilution and independence that no longer apply in concentrated multicomponent materials. Trial and error, controlled substitution, parameterisation, thermodynamic modelling, atomistic modelling and machine learning techniques have all been employed as methods of exploring multicomponent phase space, with varying levels of success, but ultimately none of these techniques has proved capable of delivering consistent or guaranteed results. This paper provides an overview of the different techniques that have been used to explore multicomponent phase space, indicates their main advantages and disadvantages, and describes some of their successes and failures.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"188 - 218"},"PeriodicalIF":1.5,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-024-01131-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141613832","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 of the Er-Al-Zr Ternary System at 500 °C","authors":"Enlang Feng, Rui Zhang, Yanbin Kang, Fangyu Gan, Qingrong Yao, Zhao Lu, Zhimao Lu, Zongning Chen, Caimin Huang, Huaiying Zhou, Liying Luo","doi":"10.1007/s11669-024-01130-x","DOIUrl":"10.1007/s11669-024-01130-x","url":null,"abstract":"<div><p>The phase equilibria of the Er-Al-Zr ternary system at 500 °C were investigated using a combination of electron probe microanalyzer and x-ray diffraction. The microstructure and diffraction peaks were analyzed to determine the phases and compositions of Er-Al-Zr ternary system. Based on the experimental results, the isothermal phase diagram of the Er-Al-Zr ternary system consists of 14 three-phase equilibrium regions, 15 two-phase equilibrium regions, and 13 stable binary compounds, but no ternary compounds were detected. The solubility of Er in the Al<sub>2</sub>Zr, Al<sub>3</sub>Zr<sub>2</sub>, AlZr, Al<sub>3</sub>Zr<sub>4,</sub> Al<sub>2</sub>Zr<sub>3</sub> is 9.9, 5.3, 9.0, 12.4, 6.7 at.%, respectively. The present work could be important for alloy design of Al-based alloys and thermodynamic analysis of the Er-Al-Zr ternary system.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 4","pages":"772 - 778"},"PeriodicalIF":1.5,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141576073","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 500 °C Isothermal Section of the Al-Fe-Pr Ternary System","authors":"R. Freccero, L. Arrighi, G. Cacciamani, P. Riani","doi":"10.1007/s11669-024-01117-8","DOIUrl":"10.1007/s11669-024-01117-8","url":null,"abstract":"<div><p>Phases and equilibria involved in the isothermal section at 500 °C of the ternary Al-Fe-Pr system have been here investigated in the whole composition range by means of X-ray diffraction, optical and scanning electron microscopy, and electron probe microanalysis. Phase equilibria are characterised by the formation of two binary solid solutions, Pr<sub>2</sub>(Fe<sub>x</sub>Al<sub>1−x</sub>)<sub>17</sub> with 0.34 ≤ <i>x</i> ≤ 1.00 (<i>hR</i>57–Th<sub>2</sub>Zn<sub>17</sub>) and Pr(Fe<sub>x</sub>Al<sub>1−x</sub>)<sub>2</sub> with 0 ≤ <i>x</i> ≤ 0.20 (<i>cF</i>24–Cu<sub>2</sub>Mg), and four ternary compounds, τ<sub>1</sub>-PrFe<sub>2</sub>Al<sub>10</sub> (<i>oS</i>52-YbFe<sub>2</sub>Al<sub>10</sub>), τ<sub>2</sub>-PrFe<sub>2</sub>Al<sub>8</sub> (<i>oP</i>44-CeFe<sub>2</sub>Al<sub>8</sub>), τ<sub>3</sub>-Pr(Fe<sub>x</sub>Al<sub>1−x</sub>)<sub>12</sub> with 0.28 ≤ <i>x</i> ≤ 0.44 (<i>tI</i>26-ThMn<sub>12</sub>) and τ<sub>4</sub>-Pr<sub>6</sub>(Fe<sub>x</sub>Al<sub>1−x</sub>)<sub>14</sub> with 0.63 ≤ <i>x</i> ≤ 0.81 (<i>tI</i>80-La<sub>6</sub>Co<sub>11</sub>Ga<sub>3</sub>), which have been confirmed. The solid solubility ranges of the binary and ternary compounds have been considered and trends of their lattice parameters studied. The complete isothermal section has been obtained and the general features of the section are discussed and compared with those of other ternary systems of light R (La, Ce, Pr, Nd, Sm) with Al and Fe.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"596 - 611"},"PeriodicalIF":1.5,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141531729","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}
Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell
{"title":"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","authors":"Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell","doi":"10.1007/s11669-024-01124-9","DOIUrl":"10.1007/s11669-024-01124-9","url":null,"abstract":"<div><p>A thermodynamic description of the Ti-Al-Fe system was established with reassessed Ti-Al and Ti-Fe binary systems using density function theory (DFT) data. All stable and metastable end members of BCC_B2, BCC_D0<sub>3</sub>/B32, BCC_L2<sub>1</sub>, inverse BCC_L2<sub>1</sub>, Laves C14, D0<sub>19</sub>-Ti<sub>3</sub>Al, L1<sub>0</sub>-TiAl, Ti Al<sub>2</sub>, Ti<sub>3</sub>Al<sub>5</sub>, D0<sub>22</sub>-TiAl<sub>3</sub>, τ<sub>2</sub> and τ<sub>3</sub> in the Ti-Al, Ti-Fe and Ti-Al-Fe systems were energetically defined with available experimental data and DFT calculations, reaching reasonable consistency. The ternary description was used to successfully calculate the A2-B2-L2<sub>1</sub> transformation in Fe-rich corner and A2-B2 transformation in Ti-rich corner, allowing the design of Ti-rich and Fe-rich alloys in this system.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"732 - 756"},"PeriodicalIF":1.5,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-024-01124-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141501503","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":"Mats Hillert’s Invaluable Contributions to Cast Irons","authors":"Jacques Lacaze","doi":"10.1007/s11669-024-01125-8","DOIUrl":"10.1007/s11669-024-01125-8","url":null,"abstract":"<div><p>The microstructures and properties of foundry alloys designated by the generic term “cast irons” are highly diverse, even if we limit ourselves to so-called silicon cast irons, which are essentially quasi-eutectic Fe-C-Si alloys. This diversity is compounded by the fact that these microstructures appear partly during solidification and partly during solid-state transformations. Throughout the scientific career of Mats Hillert, his attention has been drawn to the wide range of phenomena involved in the formation of cast iron microstructures during solidification, as the present review of his contributions in this field shows. In addition, much of his work on the solid-state transformations of steels has found—or should find—an echo in the description of the matrix microstructure of graphitic cast irons, which is the subject of the final part of this article.</p></div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 6","pages":"1011 - 1022"},"PeriodicalIF":1.5,"publicationDate":"2024-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141338322","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}