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Metals
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Calphad Tools for the Metallurgy of Solidification
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Calphad Tools for the Metallurgy of Solidification

A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Computation and Simulation on Metals".

Deadline for manuscript submissions: 30 September 2024 | Viewed by 14465

Special Issue Editors

Prof. Fabio Miani

E-Mail Website
Guest Editor
Università degli Studi di Udine, Udine, Italy
Interests: development of new metallurgical processes, process metallurgy modeling, Calphad based tools, materials characterization, metal 3D printing, semi-solid casting
Dr. Maria Balart

E-Mail Website
Guest Editor
BCAST Brunel University, London, UK
Interests: grain size on solidification, casting Metallurgy, metallurgy of solidification, DHP copper, copper alloys

Special Issue Information

Dear Colleagues,

In recent years, Calphad-based methodologies have reached maturity in several important fields of metallurgy, and especially in solidification-related processes such as semi-solid casting, 3d printing, and welding, to name a few.
While there are important studies devoted to the progress of Calphad methodology, there is still space for a systematization of the field, which proceeds from the ability of most Calphad-based software to simulate solidification curves and includes both fundamental and applied studies on solidification, to be substantially appreciated by a wider community than today.
The three applied fields mentioned above could be widened by specific successful examples of simple modeling related to the topic of this issue, with the aim of widening the application of simple and effective tools related to Calphad and Metallurgy.

Prof. Fabio Miani
Dr. Maria Balart
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • computational materials engineering
  • Calphad
  • Calphad based process modeling
  • solidification
  • casting
  • semi-solid processing
  • welding

Published Papers (6 papers)

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Research

11 pages, 5851 KiB  
Article
The Role of Dilute Solute Additions on Growth Restriction in Cu-, Al-, Mg- and Ti-Based Alloys
by Maria J. Balart, Feng Gao, Jayesh B. Patel and Fabio Miani
Metals 2022, 12(10), 1653; https://doi.org/10.3390/met12101653 - 30 Sep 2022
Cited by 1 | Viewed by 1040
Abstract
The effect of dilute solute additions on growth restriction in Cu-, Al-, Mg- and Ti-based binary and ternary alloys was assessed by means of the heuristic growth restriction parameter (β) modelling framework. The CALPHAD (calculation of phase diagrams) methodology was used [...] Read more.
The effect of dilute solute additions on growth restriction in Cu-, Al-, Mg- and Ti-based binary and ternary alloys was assessed by means of the heuristic growth restriction parameter (β) modelling framework. The CALPHAD (calculation of phase diagrams) methodology was used to calculate β values from the m and k values, at first approximation, as well as from the liquid-to-solid fraction to obtain true β values. Grain size values from the literature were plotted against the corresponding true β values, showing a negative or inverse correlation between the two. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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19 pages, 7363 KiB  
Article
The Thixoforming Process Window for Al-Si-Zn Alloys Using the Differentiation Method: The Role of Si, Heating Rate and Sample Mass
by Daimer Velazquez Tamayo, Gabriela Lujan Brollo, Juliana Rodrigues de Oliveira, Fabio Miani and Eugênio José Zoqui
Metals 2022, 12(5), 734; https://doi.org/10.3390/met12050734 - 26 Apr 2022
Viewed by 2271
Abstract
The effects of Si content (X = 4 to 7 wt.%), heating rate (5 to 25 °C/min) and sample mass (20 to 200 mg) on determination of the thixoforming working window by differential scanning calorimetry DSC were analyzed for the Al-Xwt.%Si-4wt.%Zn, or simply [...] Read more.
The effects of Si content (X = 4 to 7 wt.%), heating rate (5 to 25 °C/min) and sample mass (20 to 200 mg) on determination of the thixoforming working window by differential scanning calorimetry DSC were analyzed for the Al-Xwt.%Si-4wt.%Zn, or simply AlXSi4Zn, system. The critical lower and upper temperatures for thixoforming processing were determined by applying the differentiation method to DSC heating cycle data. Lower Si content, heating rate and DSC sample mass made identification of the working window temperatures more accurate because of the sharpening of the DSC curve when lower values of these variables were used. Data obtained when lower sample masses and heating rates were used agreed better with those obtained by Calculation of Phase Diagrams, (CALPHAD) simulation (near-equilibrium Scheil condition) for all the Si contents analyzed. Larger DSC sample masses were associated with significant heterogeneity in heat transfer through the sample, leading to results similar to those for a diffuse transition, an effect enhanced by an increase in the heating rate. Since Si content represented a limitation when identifying the working window by the differentiation method, alloys with high Si content should be analyzed with lower DSC masses and lower heating rates to allow more accurate determination of the interval at conditions near those used in thixoforming operations. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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22 pages, 7510 KiB  
Article
Thermophysical Properties of Fe-Si and Cu-Pb Melts and Their Effects on Solidification Related Processes
by Rada Novakovic, Donatella Giuranno, Joonho Lee, Markus Mohr, Simona Delsante, Gabriella Borzone, Fabio Miani and Hans-Jörg Fecht
Metals 2022, 12(2), 336; https://doi.org/10.3390/met12020336 - 14 Feb 2022
Cited by 4 | Viewed by 2579
Abstract
Among thermophysical properties, the surface/interfacial tension, viscosity, and density/molar volume of liquid alloys are the key properties for the modelling of microstructural evolution during solidification. Therefore, only reliable input data can yield accurate predictions preventing the error propagation in numerical simulations of solidification [...] Read more.
Among thermophysical properties, the surface/interfacial tension, viscosity, and density/molar volume of liquid alloys are the key properties for the modelling of microstructural evolution during solidification. Therefore, only reliable input data can yield accurate predictions preventing the error propagation in numerical simulations of solidification related processes. To this aim, the thermophysical properties of the Fe-Si and Cu-Pb systems were analysed and the connections with the peculiarities of their mixing behaviours are highlighted. Due to experimental difficulties related to reactivity of metallic melts at high temperatures, the measured data are often unreliable or even lacking. The application of containerless processing techniques either leads to a significant improvement of the accuracy or makes the measurement possible at all. On the other side, accurate model predicted property values could be used to compensate for the missing data; otherwise, the experimental data are useful for the validation of theoretical models. The choice of models is particularly important for the surface, transport, and structural properties of liquid alloys representing the two limiting cases of mixing, i.e., ordered and phase separating alloy systems. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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17 pages, 3879 KiB  
Article
Solidification Calculations of Precious Alloys and Al-Base Alloys for Additive Manufacturing
by Federico Scaglione, Sergio Arnaboldi, Cristian Viscardi, Marcello Baricco and Mauro Palumbo
Metals 2022, 12(2), 322; https://doi.org/10.3390/met12020322 - 11 Feb 2022
Cited by 1 | Viewed by 2233
Abstract
In this paper, we report two cases studies where solidification processes were successfully investigated with CALPHAD-based methodologies. The first one refers to the use of thermodynamic databases to describe the solidification processes of a precious Au-base alloy containing Ir as a grain refiner. [...] Read more.
In this paper, we report two cases studies where solidification processes were successfully investigated with CALPHAD-based methodologies. The first one refers to the use of thermodynamic databases to describe the solidification processes of a precious Au-base alloy containing Ir as a grain refiner. The second one concerns the development and use of a quaternary database for Al-Mg-Si-Er alloys for additive manufacturing, where Er is added as a nucleating agent. While in the former case, the solidification process was investigated by running the Thermo-Calc software with a specific TCNOBL1 commercial database, in the latter, the necessary database was first constructed, using available thermodynamic assessments in the literature and experimental data, and then applied to investigate the solidification behavior of selected alloys. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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19 pages, 4763 KiB  
Article
Prediction of Cracking Susceptibility of Commercial Aluminum Alloys during Solidification
by Fan Zhang, Songmao Liang, Chuan Zhang, Shuanglin Chen, Duchao Lv, Weisheng Cao and Sindo Kou
Metals 2021, 11(9), 1479; https://doi.org/10.3390/met11091479 - 17 Sep 2021
Cited by 8 | Viewed by 3454
Abstract
Cracking during solidification is a complex phenomenon which has been investigated from various angles for decades using both experimental and theoretical methods. In this paper, cracking susceptibility was investigated by a simulation method for three series of aluminum alloys: AA2xxx, AA6xxx, and AA7xxx [...] Read more.
Cracking during solidification is a complex phenomenon which has been investigated from various angles for decades using both experimental and theoretical methods. In this paper, cracking susceptibility was investigated by a simulation method for three series of aluminum alloys: AA2xxx, AA6xxx, and AA7xxx alloys. The simulation tool was developed using the CALPHAD method and is readily applicable to multicomponent alloy systems. For each series of alloys, cracking susceptible index values were calculated for more than 1000 alloy compositions by high-throughput calculation. Cracking susceptible maps were then constructed for these three series of aluminum alloys using the simulated results. The effects of major and minor alloying elements were clearly demonstrated by these index maps. The cooling rate effect was also studied, and it was concluded that back diffusion in the solid can significantly improve the cracking susceptibility. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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12 pages, 4825 KiB  
Article
Predicting Susceptibility to Solidification Cracking and Liquation Cracking by CALPHAD
by Sindo Kou
Metals 2021, 11(9), 1442; https://doi.org/10.3390/met11091442 - 11 Sep 2021
Cited by 14 | Viewed by 4797
Abstract
In welding, liquation cracking can occur in the partially melted zone, leaving open cracks along the edge of the weld bead. Likewise, solidification cracking can occur in the mushy zone, leaving open cracks inside the weld bead (which is called the weld metal [...] Read more.
In welding, liquation cracking can occur in the partially melted zone, leaving open cracks along the edge of the weld bead. Likewise, solidification cracking can occur in the mushy zone, leaving open cracks inside the weld bead (which is called the weld metal or fusion zone). The present study aims at demonstrating that CALPHAD-based modeling can help predict the susceptibility of alloys to both types of cracking. The basic relationship between temperature T and the fraction of solid fS of an alloy can be calculated using thermodynamic software and a database based on the alloy composition. For liquation cracking the T-fS curve of the weld metal can be compared with that of the workpiece to assess the susceptibility. For solidification cracking, on the other hand, the T-(fS)1/2 curve of the weld metal can be used to calculate the susceptibility. The composition of the weld metal depends on the compositions of the workpiece and the filler metal, and the percentage of the workpiece in the weld metal (called dilution). The susceptibility predictions based on these curves and comparison with welding experiments will be demonstrated using Al alloys, Mg alloys, and carbon steels as examples. Full article
(This article belongs to the Special Issue Calphad Tools for the Metallurgy of Solidification)
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