• Journal of Korea Foundry Society
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• v.41 no.5
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• pp.445-453
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• 2021

Computational thermodynamics for various alloy systems is well known as the CALPHAD technique. Gibbs energy model parameters for each phase are obtained from experimentally measured thermodynamic properties and are mainly used to predict areas not experimentally measured and to analyze experimental results thermodynamically. In this study, the thermodynamic modeling of the Ni-Cr-Nb-C quaternary system is conducted for a thermodynamic analysis of the phenomena by which heat-resistant cast alloys (IN-657) are destroyed in certain areas after long-term use. The stable phases in the system according to the Cr content, phase fraction depending on the temperature, and long-range ordering parameters for the Ni₂Cr phase are calculated and compared to results obtained experimentally. The calculated thermodynamic properties suitably explain the experimentally reported fracture temperature range and the results of stable phases formed in the fractured areas. Thermodynamic modeling through the CALPHD method is expected to be useful for analyzing and predicting the thermodynamic behaviors of various cast alloys.

• The Korean Journal of Ceramics
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• v.7 no.1
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• pp.11-15
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• 2001

A thermodynamic assessment for the ZrO$_2$-TiO$_2$ system has been conducted. An optimal thermodynamic data set for this system is evaluated by the CALPHAD(CALculation of PHAse Diagram) method applied to experimental phase diagram and thermodynamic data. The liquid is described by ionic liquid model with two sublattices. The solubilities of the solid phases, tetragonal ZrO$_2$ and TiO$_2$(rutile), were described by subregular substitutional model with one sublattice. Two compounds, ZrTiO$_4$ and ZrTi$_2$O$_6$, are modeled as stoichiometric compounds.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2008.05a
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• pp.142-145
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• 2008

Process simulation requires accurate and reliable data for a wide variety of material properties, ranging from thermal conductivity to flow stress curves. Traditionally such data are gathered from experimental sources, which has significant disadvantages in that not all of the required data is readily available, it may be from various sources that are themselves inconsistent, measurement of high temperature properties is expensive, and furthermore the properties can be sensitive to microstructure as well as to alloy composition. This article describes the development of a new multi-platform software program called JMatPro, which is based on CALPHAD methodology, for calculating the properties and behavior of multi-component alloys. A feature of the JMatPro is that the calculations are based on sound physical principles rather than purely statistical methods. Thus, many of the shortcomings of methods such as regression analysis can be overcome.

• Journal of Powder Materials
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• v.6 no.1
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• pp.18-35
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• 1999

Phase equilibria in the system Si3N4-TiC-TiCxN1-x-C-N were determined by thermodynamic calculations (CALPHAD-method). The reaction peaction paths for Si3N4-TiC and SiC-TiC composites in the Ti-Si-C-n system were simulated at I bar N2-pressure and varying terpreatures. At a temperature of 1923 K two tie-triangles (TiC0.34N0.66+SiC+C and TiC0.13N0.87+SiC+Si3N4) and two 2-phase fieds (TiCxN1-x+SiC; 0.13

• Journal of Powder Materials
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• v.27 no.1
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• pp.1-7
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• 2020

In this research, a new medium-entropy alloy with an equiatomic composition of FeCuNi was designed using a phase diagram (CALPHAD) technique. The FeCuNi MEA was produced from pure iron, copper, and nickel powders through mechanical alloying. The alloy powders were consolidated via a high-pressure torsion process to obtain a rigid bulk specimen. Subsequently, annealing treatment at different conditions was conducted on the four turn HPT-processed specimen. The microstructural analysis indicates that an ultrafine-grained microstructure is achieved after post-HPT annealing, and microstructural evolutions at various stages of processing were consistent with the thermodynamic calculations. The results indicate that the post-HPT-annealed microstructure consists of a dual-phase structure with two FCC phases: one rich in Cu and the other rich in Fe and Ni. The kernel average misorientation value decreases with the increase in the annealing time and temperature, indicating the recovery of HPT-induced dislocations.

• Korean Journal of Materials Research
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• v.20 no.1
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• pp.42-46
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• 2010

Phosphorus exhibits considerable segregation in steelmaking slag. In order to recover phosphorus from slag to $K_3PO_4$ via molten iron, a carbothermic reaction using microwave heating was suggested recently. The carbothermic reduction of phosphorus from slag to molten iron using microwave heating was carried out at 2073K. However, at this temperature the thermodynamic properties of both slag and molten iron cannot be determined experimentally. Therefore, the computational approach of the so-called CALPHAD method is very useful to understand the transfer of phosphorus from slag to metal and to enhance this reaction. In the present investigation, a theoretical study of the reduction behavior of phosphorus in slag was carried out at much lower temperatures using the recently developed thermodynamic database in the FactSage program. The calculated results showed reasonable accordance with the experimental data; namely, the thermodynamic database could be applied successfully to higher temperature reactions. The current study found that higher temperature and high $SiO_2$ concentration are favorable for the recovery of phosphorus from slag.

• Journal of Powder Materials
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• v.25 no.3
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• pp.208-212
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• 2018

In this paper, a new $Co_{10}Fe_{10}Mn_{35}Ni_{35}Zn_{10}$ high entropy alloy (HEA) is identified as a strong candidate for the single face-centered cubic (FCC) structure screened using the upgraded TCFE2000 thermodynamic CALPHAD database. The $Co_{10}Fe_{10}Mn_{35}Ni_{35}Zn_{10}$ HEA is fabricated using the mechanical (MA) procedure and pressure-less sintering method. The $Co_{10}Fe_{10}Mn_{35}Ni_{35}Zn_{10}$ HEA, which consists of elements with a large difference in melting point and atomic size, is successfully fabricated using powder metallurgy techniques. The MA behavior, microstructure, and mechanical properties of the $Co_{10}Fe_{10}Mn_{35}Ni_{35}Zn_{10}$ HEA are systematically studied to understand the MA behavior and develop advanced techniques for fabricating HEA products. After MA, a single FCC phase is found. After sintering at $900^{\circ}C$, the microstructure has an FCC single phase with an average grain size of $18{\mu}m$. Finally, the $Co_{10}Fe_{10}Mn_{35}Ni_{35}Zn_{10}$ HEA has a compressive yield strength of 302 MPa.