• 한국주조공학회지
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• 제41권5호
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• pp.445-453
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• 2021

다양한 합금계에 대한 계산열역학은 CALPHAD 기법으로 잘 알려져있다. 실험적으로 측정된 열역학 특성들을 활용하여 각 상에 대한 Gibbs 에너지 모델 파라미터들을 구하여, 주로 실험적으로 측정되지 못한 영역에 대한 예측이나 실험 결과에 대한 열역학 해석에 활용되고 있다. 본 연구에서는 내열 주조 합금 (IN-657)이 장시간 사용 후에 일정 영역에서 파괴되는 현상의 열역학적 해석을 위해 Ni-Cr-Nb-C 사원계 시스템의 열역학 모델링을 수행하였고, Cr 함량에 따른 시스템의 안정상, 온도에 따른 상분율 및 Ni₂Cr상의 long range ordering 파라미터를 계산하였고 실험결과와 비교하였다. 계산된 열역학 물성들은 실험으로 보고된 파괴온도 영역 및 해당 영역에서 생성된 안정상에 대한 결과를 잘 설명한다. CALPHAD 기법을 통한 열역학 모델링은 다양한 주조 합금의 열역학적 거동을 해석하고 예측하는데 유용하게 사용될 수 있을 것으로 기대된다.

• The Korean Journal of Ceramics
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• 제7권1호
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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.

• 한국소성가공학회:학술대회논문집
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• 한국소성가공학회 2008년도 춘계학술대회 논문집
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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.

• 한국분말재료학회지
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• 제6권1호
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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

• 한국분말재료학회지
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• 제27권1호
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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.

• 한국재료학회지
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• 제20권1호
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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.

• 한국분말재료학회지
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• 제25권3호
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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.