Journal of Phase Equilibria and Diffusion最新文献_第9页

AFLOW for Alloys 用于合金的 AFLOW

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-02-09 DOI: 10.1007/s11669-024-01084-0

Cormac Toher, Stefano Curtarolo

引用次数: 0

Thermodynamic Aspects of Powder-Pack Boronizing 粉末包装硼化的热力学方面

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-02-07 DOI: 10.1007/s11669-024-01081-3

Dmitri V. Malakhov, Arina A. DeBoer

{"title":"Thermodynamic Aspects of Powder-Pack Boronizing","authors":"Dmitri V. Malakhov, Arina A. DeBoer","doi":"10.1007/s11669-024-01081-3","DOIUrl":"10.1007/s11669-024-01081-3","url":null,"abstract":"<div>During powder-pack boronizing, an alloy is enveloped by a mixture comprising a source of boron, a diluent and an activator. If the activity of B in boriding media exceeds that in alloys, then this difference is a driving force, which, at elevated temperatures, may result in single- or multi-layered protective coatings. If it is intended to model and optimize this diffusion-controlled process, then an ability to calculate and control boron activity in both currently employed and prospective diluent-source-activator blends would be indispensable. In literature, such calculations are seldom performed, which likely reflects a reluctance or trepidation to deal with systems routinely containing five or more components. Consequently, it is commonly yet mistakenly believed that the activity of B can be smoothly changed by gradually changing a fraction of its source. In reality, a multiphase nature of boronizing powders is manifested in intricate concentration dependencies of boron activity with intervals where it remains constant. Another puzzling feature is the constancy of boron activity in phase fields which ostensibly have a non-zero number of degrees of freedom. In this work, a seeming inconformity with Gibbs' phase rule is addressed. Although it is not unreasonable to expect that an equilibrium phase assemblage at high temperatures would differ from ingredients mixed at room temperature, it is instructive to realize how drastically dissimilar they can be in some cases. If a boriding medium is utilized several times (a routine industrial practice), then its evolution caused by multiple heating and cooling cycles should not be overlooked.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"367 - 383"},"PeriodicalIF":1.5,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139768275","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

Calculation of GB Energies and Grain-Boundary Self-diffusion in Nickel and Verification of Borisov Relations for Various Symmetric Tilt Grain Boundaries 计算镍中的 GB 能量和晶界自扩散，验证各种对称倾斜晶界的鲍里索夫关系

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-02-07 DOI: 10.1007/s11669-024-01087-x

Mikhail Urazaliev, Maksim Stupak, Vladimir Popov

{"title":"Calculation of GB Energies and Grain-Boundary Self-diffusion in Nickel and Verification of Borisov Relations for Various Symmetric Tilt Grain Boundaries","authors":"Mikhail Urazaliev, Maksim Stupak, Vladimir Popov","doi":"10.1007/s11669-024-01087-x","DOIUrl":"10.1007/s11669-024-01087-x","url":null,"abstract":"<div>Symmetrical boundaries with tilt axes <100> , <110> and <111> in nickel have been studied using atomistic modeling methods. The energies of grain boundaries (GBs), as well as the energies of point defects formation in high-angle GBs, have been calculated by the molecular statics method. Dependences of the GB energy on the misorientation angle are given for each of the three axes listed above. The energies of point defects formation are given as a function of energy depending on the distance between the position of the defect and the GB plane. Simulation of self-diffusion in high-angle GBs has been carried out in two versions–for vacancy and interstitial mechanisms of mass transfer. Temperature dependencies of self-diffusion coefficients have been constructed and the activation energies have been estimated. Based on the comparison of activation energies, the dominating diffusion mechanisms have been established. Anisotropy and the dominating diffusion mechanism are completely determined by the type of individual boundary. Based on calculations of the GB energy and self-diffusion simulation data, the Borisov correlation for high-angle GBs is considered, and it is shown that this correlation is quite poor for these grain boundaries.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"384 - 396"},"PeriodicalIF":1.5,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139761434","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

Experimental Investigation and Thermodynamic Assessment of Phase Equilibria at the Ti-Mn side in the Ti-Mn-Mo Ternary System 钛锰钼三元体系中钛锰侧相平衡的实验研究和热力学评估

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2024-01-29 DOI: 10.1007/s11669-024-01083-1

Cuiping Wang, Lianzhang Wu, Jingtao Du, Debin Zheng, Yihui Guo, Yixiong Huang, Jinbin Zhang, Yong Lu, Xingjun Liu

{"title":"Experimental Investigation and Thermodynamic Assessment of Phase Equilibria at the Ti-Mn side in the Ti-Mn-Mo Ternary System","authors":"Cuiping Wang, Lianzhang Wu, Jingtao Du, Debin Zheng, Yihui Guo, Yixiong Huang, Jinbin Zhang, Yong Lu, Xingjun Liu","doi":"10.1007/s11669-024-01083-1","DOIUrl":"10.1007/s11669-024-01083-1","url":null,"abstract":"<div>The phase relationships of the Ti-Mn-Mo ternary system on the Ti-Mn side at 900 and 1000 °C were experimentally studied based on microstructure and phase constituents from the equilibrated alloys using electron probe microanalysis, scanning electron microscopy, and X-ray diffraction. The solubilities of Mo in the βTiMn, TiMn2, TiMn3 and TiMn4 phases of the Ti-Mn system were measured. A three-phase region and seven two-phase regions were experimentally determined. No ternary compounds were found. Based on the experimental data and the thermodynamic descriptions of the three binary sub-systems available in the literature, a set of thermodynamic parameters of the Ti-Mn-Mo ternary system was obtained. The calculated isothermal sections and vertical sections agree well with the experimental results. The calculated liquidus projection and invariant reaction scheme of the Ti-Mn-Mo ternary system are also presented. The present work can provide essential experimental and thermodynamic data for the design of biocompatible medical titanium alloys.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 1","pages":"56 - 74"},"PeriodicalIF":1.5,"publicationDate":"2024-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139586492","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

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System 应用有效键能形式主义 (EBEF) 描述 Co-Cr-Ni-Re 体系中的西格玛 (σ) 相

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-30 DOI: 10.1007/s11669-023-01079-3

Júlio César Pereira dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana G. Fries, Chris Wolverton, Carelyn E. Campbell

引用次数: 0

Correction: Phase Relations of the Nd2O3-CaO-Fe2O3 System at 1473 K in Air 更正：1473 K 时空气中 Nd2O3-CaO-Fe2O3 系统的相位关系

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-20 DOI: 10.1007/s11669-023-01078-4

Wenjie Wei, Shu Li, Hongmei Wang, Zhanmin Cao

引用次数: 0

Experimental Investigation and Thermodynamic Description of Phase Equilibria in the Al-Cr-Mo Ternary System 铝-铬-钼三元体系相平衡的实验研究和热力学描述

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-19 DOI: 10.1007/s11669-023-01076-6

Cuiping Wang, Xiaodong Chen, Xi Wu, Yixiong Huang, Yihui Guo, Shuiyuan Yang, Yong Lu, Xingjun Liu

{"title":"Experimental Investigation and Thermodynamic Description of Phase Equilibria in the Al-Cr-Mo Ternary System","authors":"Cuiping Wang, Xiaodong Chen, Xi Wu, Yixiong Huang, Yihui Guo, Shuiyuan Yang, Yong Lu, Xingjun Liu","doi":"10.1007/s11669-023-01076-6","DOIUrl":"10.1007/s11669-023-01076-6","url":null,"abstract":"<div>The isothermal sections of the Al-Cr-Mo ternary system at 1200 and 1000 °C were experimentally determined based on microstructure and phase constituents from the equilibrated alloys employing electron probe microanalysis, scanning electron microscopy, and x-ray diffraction. A new ternary compound phase named η with AlTi3-type crystal structure covering a composition range with ~ 75 at.% Al was detected in these two investigated isothermal sections in the present work. Based on the experimental results and the published data of the three binary sub-systems, a thermodynamic description for the Al-Cr-Mo system was carried out using the CALPHAD (CALculation of PHAse Diagrams) method. The newly detected ternary phase η was modeled by a two-sublattice model of (Al)3(Al,Cr,Mo)1. A set of reliable thermodynamic parameters of the Al-Cr-Mo system was obtained, which are in satisfactory agreement with the experimental data. Based on the obtained thermodynamic parameters, much information related to the stable vertical sections, isothermal sections, liquidus projection, and miscibility gap of the bcc phase were predicted in the present work. The present work can provide essential experimental and thermodynamic data for the establishment of the Ni-Al-Cr-Mo based alloy database.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 1","pages":"18 - 35"},"PeriodicalIF":1.5,"publicationDate":"2023-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138745186","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

Study of Interface-Related Mechanisms in the Early Stage Precipitation of σ Phase in Hyper Duplex Stainless Steels 超双相不锈钢中σ相早期沉淀的界面相关机制研究

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-19 DOI: 10.1007/s11669-023-01080-w

Aurélie Jacob, Roman Schuster, Laszlo Solyom, Andreas Keplinger, Erwin Povoden-Karadeniz

{"title":"Study of Interface-Related Mechanisms in the Early Stage Precipitation of σ Phase in Hyper Duplex Stainless Steels","authors":"Aurélie Jacob, Roman Schuster, Laszlo Solyom, Andreas Keplinger, Erwin Povoden-Karadeniz","doi":"10.1007/s11669-023-01080-w","DOIUrl":"10.1007/s11669-023-01080-w","url":null,"abstract":"<div>This work aims to computationally explore the diffuse prerequisites for σ phase precipitation in high-alloyed duplex steels. The diffusion control for the early precipitation stage of the σ phase was studied by the Calphad thermodynamic modeling combined with the DICTRA software. Different nucleation sites, α/γ, and α/α and γ/γ grain-boundaries, were studied using thermodynamic and mobility databases developed by the present authors in previous works for high-alloyed duplex stainless steel. Simulation results were compared to experimentally obtained microstructures of aged samples. The study of the concentration profiles of the elements Cr, Mo, and Ni revealed that the precipitation is most favorable within the α phase due to fast mobility and strong thermodynamic driving force favoring the formation of the σ phase. Based on the present results, the role of the different heterogeneous sites for the precipitation of the σ phase in hyper duplex steel is discussed.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 3","pages":"318 - 329"},"PeriodicalIF":1.5,"publicationDate":"2023-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-023-01080-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138819788","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}

引用次数: 0

Experimental Determination of Phase Equilibria in the Mn-Zn Binary System 锰锌二元体系相平衡的实验测定

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-15 DOI: 10.1007/s11669-023-01068-6

Daisuke Imatomi, Ryosuke Ishikawa, Akira Nakata, Tatsuya Ito, Kwangsik Han, Makoto Nagasako, Xiao Xu, Toshihiro Omori, Ryosuke Kainuma

{"title":"Experimental Determination of Phase Equilibria in the Mn-Zn Binary System","authors":"Daisuke Imatomi, Ryosuke Ishikawa, Akira Nakata, Tatsuya Ito, Kwangsik Han, Makoto Nagasako, Xiao Xu, Toshihiro Omori, Ryosuke Kainuma","doi":"10.1007/s11669-023-01068-6","DOIUrl":"10.1007/s11669-023-01068-6","url":null,"abstract":"<div>Phase equilibria in the Mn-Zn binary system were experimentally determined by chemical composition examination, crystal structure determination, and thermal analysis. Major changes were detected for the β, ε, and δ phases. The β-B2 single-phase region could not be confirmed in the studied system because a disordered body-centered cubic structure, which is identical to the δMn phase, was confirmed in a quenched sample from the previously proposed region of β phase. The ε phase has been controversial whether the phase is separated into ε, ε1, and ε2 phases or not. By studying a diffusion couple and several alloy compositions, it was established that the ε, ε1, and ε2 phases are not separate and comprise a single ε phase. Furthermore, the δ phase is not present in the Zn-rich region of the system because the corresponding invariant reactions were not detected via thermal analysis.</div>","PeriodicalId":657,"journal":{"name":"Journal of Phase Equilibria and Diffusion","volume":"45 1","pages":"3 - 17"},"PeriodicalIF":1.5,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11669-023-01068-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138691074","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}

引用次数: 0

Ti-Fe Phase Evolution and Equilibria Toward β-Ti Superalloys 钛-铁相演化与平衡，迈向β-钛超级合金

IF 1.5 4区材料科学

Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-10 DOI: 10.1007/s11669-023-01066-8

P. O’Kelly, A. Watson, G. Schmidt, M. Galetz, A. J. Knowles

引用次数: 0