Modeling, Simulations, Predictions, Calculations and Thermodynamic Assessments of Cobalt-Ferric Binary Alloys System Using Calphad Method and Pbine Database

This research article reports simulations and prediction based calculation for Co-Fe system under the application of Calphad method and thermocalc package. At different elevated temperature of 1200k, 1225k 1nd 1250k the said system is modeled and corresponding behavior of Gibbs free energy, phase diagram and activity curve is monitored. As per calculation the Gibbs energy curve is correspond to its negative era which shows the actual stability application of the said alloy system. The alloying element shows strong interaction amongst which results negative deviation from Roults law in activity era. At 1250k the activity value becomes maximum with same negative deviation. This shows the applicability and reliability of the said alloy system.

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Thermodynamic Analysis and Calculations of (Fe-Co) Alloy by Modeling and Simulation using Thermo-Calc Software

Edelweiss Applied Science and Technology ◽

10.33805/2576.8484.126 ◽

2018 ◽

pp. 120-123

Author(s):

Syed Mahmood Shah ◽

Nasib Ullah ◽

Bakhtar Ullah ◽

Muhammad Shehzad Khan ◽

Tariq Usman

Keyword(s):

Phase Diagram ◽

Free Energy ◽

Gibbs Free Energy ◽

Calphad Method ◽

Negative Deviation ◽

Activity Curve ◽

Thermo Calc Software ◽

Different Temperatures ◽

The Stability ◽

Co Alloys

In this paper Thermodynamic calculation is shown. We have found simulation for phase diagram, Gibbs free energy and Activity curve at different temperatures (1200 K, 1225 K and 1250 K). Phase diagrams, Gibbs free-energy and the component activities of (Fe-Co) alloys system were calculated by Calphad method. Results show that the values of Gibbs energy were negative, which shows the stability of (Fe-Co). Negative deviation had occurred from Raoult’s Law in activities, which indicates that there is strong interaction between Fe and Co in (Fe-Co) alloy. By increasing the temperature the activity increases and deviation in activity decreases. For all the thermodynamic calculations the Thermo-Calc software, databases and Calphad method have used.

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Thermodynamic Analysis and Calculations of (Fe-Co) Alloy by Modeling and Simulation using Thermo-Calc Software

Journal of Heterocyclics ◽

10.33805/2639-6734.102 ◽

2018 ◽

pp. 35-38

Author(s):

Syed Mahmood Shah ◽

Nasib Ullah ◽

Bakhtar Ullah ◽

Muhammad Shehzad Khan ◽

Tariq Usman

Keyword(s):

Phase Diagram ◽

Free Energy ◽

Gibbs Free Energy ◽

Calphad Method ◽

Negative Deviation ◽

Activity Curve ◽

Thermo Calc Software ◽

Different Temperatures ◽

The Stability ◽

Co Alloys

In this paper Thermodynamic calculation is shown. We have found simulation for phase diagram, Gibbs free energy and Activity curve at different temperatures (1200 K, 1225 K and 1250 K). Phase diagrams, Gibbs free-energy and the component activities of (Fe-Co) alloys system were calculated by Calphad method. Results show that the values of Gibbs energy were negative, which shows the stability of (Fe-Co). Negative deviation had occurred from Raoult’s Law in activities, which indicates that there is strong interaction between Fe and Co in (Fe-Co) alloy. By increasing the temperature the activity increases and deviation in activity decreases. For all the thermodynamic calculations the Thermo-Calc software, databases and Calphad method have used.

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THERMODYNAMIC STUDY OF BINARY ALLOY SYSTEM (Co–Cr) USING CALPHAD METHOD

Surface Review and Letters ◽

10.1142/s0218625x1850049x ◽

2018 ◽

Vol 25 (02) ◽

pp. 1850049 ◽

Cited By ~ 4

Author(s):

WASEEM ULLAH SHAH ◽

SYED MEHMOOD SHAH ◽

MATIULLAH KHAN ◽

DIL FARAZ KHAN ◽

ATHANASIOS G. MAMALIS ◽

...

Keyword(s):

Phase Diagram ◽

Binary Phase Diagram ◽

Elevated Temperatures ◽

Alloy System ◽

Miscibility Gap ◽

Energy Curve ◽

Binary Phase ◽

Binary Alloy System ◽

Cr System ◽

Increasing Temperature

This paper reports the thermodynamic analysis of (Co–Cr) system using THERMO-calc package (basis for CALPHAD) and PBIN database. Calculations involve binary phase diagram, Gibb’s energy curve and activity curve at three different elevated temperatures 2125[Formula: see text]K, 2150[Formula: see text]K and 2175[Formula: see text]K. Induced miscibility gap is observed at particular concentration. Binary phase diagram shows variation in phases in prescribed alloy with increasing temperature and mole fraction concentration of [Formula: see text]. The total Gibbs energy decreases with increasing temperature showing the stability of Co–Cr system. Activity showed thorough fluctuation resulting in negative deviation from Raoult’s law ideal curve.

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Thermodynamic descriptions of the Cu–Zn system

Journal of Materials Research ◽

10.1557/jmr.2008.0035 ◽

2008 ◽

Vol 23 (1) ◽

pp. 258-263 ◽

Cited By ~ 19

Author(s):

Wojciech Gierlotka ◽

Sinn-wen Chen

Keyword(s):

Phase Diagram ◽

Liquid Phase ◽

Thermodynamic Properties ◽

Alloy System ◽

Experimental Information ◽

Calphad Method ◽

Body Centered Cubic ◽

Binary Alloy System ◽

Bcc Phase ◽

Good Agreement

Cu–Zn is an important binary alloy system. In the interested temperature range from 300 to 1500 K, there are eight phases, liquid, Cu, β, β′, γ, δ, ϵ, and Zn phases. The thermodynamic descriptions of the Cu–Zn system are reassessed using the CALPHAD method. A new description of liquid phase and simplified description of body-centered cubic (bcc) phase are proposed. Good agreement has been found among the calculated thermodynamic properties, phase diagram, and the experimental information.

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Phase Diagram of Binary Alloy Nanoparticles under High Pressure

Materials ◽

10.3390/ma14112929 ◽

2021 ◽

Vol 14 (11) ◽

pp. 2929

Author(s):

Han Gyeol Kim ◽

Joonho Lee ◽

Guy Makov

Keyword(s):

Phase Diagram ◽

Phase Diagrams ◽

Interaction Parameter ◽

Excess Volume ◽

Eutectic Temperature ◽

Calphad Method ◽

Alloy Nanoparticles ◽

Thermodynamic Conditions ◽

Nanoparticle System ◽

Pressure Phase

CALPHAD (CALculation of PHAse Diagram) is a useful tool to construct phase diagrams of various materials under different thermodynamic conditions. Researchers have extended the use of the CALPHAD method to nanophase diagrams and pressure phase diagrams. In this study, the phase diagram of an arbitrary A–B nanoparticle system under pressure was investigated. The effects of the interaction parameter and excess volume were investigated with increasing pressure. The eutectic temperature was found to decrease in most cases, except when the interaction parameter in the liquid was zero and that in the solid was positive, while the excess volume parameter of the liquid was positive. Under these conditions, the eutectic temperature increased with increasing pressure.

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