Estimation of the functions of some iron-based ternary systems within Miedema model and comparison with experiment

Alsaedi, Ali Kadhim; Ivanova, Anna G.; Habieb, Azher A.; Almayahi, B.A.

doi:10.1016/j.rinp.2020.102969

Cited by 5 publications

(5 citation statements)

References 32 publications

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“…Accordingly, equilibrium is achievable upon the Gibbs energy reaching its minimal state. This, in turn, means a thermodynamic force allowed a binary system to release its stored energy to create these phases 12 . The highest negative value of Gibbs free energy was noted in the Fe-Al-V ternary system (-25.16 KJ/mol), while the lowest negative value was found in the Fe-Al-Sn (-14.37 KJ/mol) binary system.…”

Section: Resultsmentioning

confidence: 99%

“…The diagrams of the phase state of binary systems have been extensively considered and found to be highly reliable 9,10 . The ternary systems diagrams (e.g., those Fe-Al based alloys) are more inclined to be researched than other alloys 11,12 . The methods adopted for evaluating the enthalpy frequently include CALPHAD, the Miedema model, and others.…”

Section: Introductionmentioning

confidence: 99%

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Wear Behavior of Iron Based Alloys with Different Entropy Extent Estimated by Miedema's Model

Eqal,

Hussein

2024

Mat. Res.

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In most situations, predicting wear requires a variety of microstructural characterizations and experiments with contact surfaces. Based on physical principles, mathematical models might be of great assistance in understanding and thereby predicting this event. Considering the significance of heat generation in war, it appears that the parameters of thermodynamics are appropriate measurements for wear modelling. Entropy is among these parameters of thermodynamics. The Miedema model is a good method to predict the Gibbs free energy and entropy of solid solutions of binary and ternary systems. In this study, the wear behaviour of iron-based alloys according to their estimating values of Gibbs free energies and entropy was studied under lubricated conditions. The wear test was performed in accordance with ASTM-G99, utilizing the vertical universal friction testing machine MMW-1A and the pin-on-disk test methodology. Results show that the lowest negative value of Gibbs free energy was noted in the Fe-Al-Sn ternary system (-14.37 KJ/mol), while the highest negative value was found in the Fe-Al-V (-25.16 KJ/mol) binary system. It was also concluded that the wear rate decreased when the entropy estimate increased. The higher value of the wear rate was (6.935 mm 3 \N.m x10 7 ) for Fe-Al binary alloy with an entropy value (1.717 J\k Mole). The lowest value of wear rate was (3.581 mm 3 \N.m *10 7 ) for Fe-Al-Sn ternary alloy with an entropy of (2.71 J\k Mole). This is due to the micro-distortion that was mechanically indicated with the ternary alloys Fe-Al with V, Mn, Ga.B, and Sn additives that affected the wear mechanism and caused high values of wear.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Wear Behavior of Iron Based Alloys with Different Entropy Extent Estimated by Miedema's Model

Eqal,

Hussein

2024

Mat. Res.

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“…The Miedema model is a semiempirical model for the mixing enthalpy of transition metal binary compounds based on the Wigner–Seitz model that studies the band structure properties of crystals and the basic physical parameters of elements. , After a series of deductions and simplifications of the Miedema model, the mixing enthalpy of the binary alloy Δ H AB can be expressed as follows normalΔ H AB = f AB x A [ 1 + μ A x B false( φ A − φ B false) ] x B [ 1 + μ B x A false( φ B − φ A false) ] x A V A 2 / 3 [ 1 + μ A x B false( φ A − φ B false) ] + x B V B 2 / 3 [ 1 + μ B x A false( φ B − φ A false) ] f AB = 2 p V A 2 / 3 V B 2 / 3 { q / p …”

Section: Thermodynamic Parameter Calculation Modelmentioning

confidence: 99%

“…The Miedema model is a semiempirical model for the mixing enthalpy of transition metal binary compounds based on the Wigner–Seitz model that studies the band structure properties of crystals and the basic physical parameters of elements. , After a series of deductions and simplifications of the Miedema model, the mixing enthalpy of the binary alloy Δ H AB can be expressed as follows where x A and x B are the mole fractions of alloy components A and B , respectively. V A and V B are the molar volumes of components A and B , respectively.…”

Section: Thermodynamic Parameter Calculation Modelmentioning

confidence: 99%

Theoretical Investigation of Thermodynamic Properties of the Al–Si–Fe Ternary Alloy

Hou,

Wang,

2024

ACS Omega

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Aiming at the current lack of thermodynamic parameters related to the preparation of aluminum−silicon−iron alloys from spent refractory materials in aluminum electrolytic cells, the Miedema model was used to calculate the thermodynamic parameters of Al−Si, Al−Fe, and Si−Fe binary alloys. On this basis, the Toop model was combined to calculate the mixing enthalpy ΔH, excess entropy S E , excess Gibbs free energy G E , and component activity α of Al−Si−Fe ternary alloys. The results show that ΔH, S E , and G E of binary alloys are all negative values. The properties of the Al element and Si element are similar, and they are different from the Fe element. The ternary alloys also have negative values of ΔH, S E , and G E in the alloy composition range, and their values change obviously in the region where the content of Fe is high or low. The activity values of all components decrease dramatically along with the diminishing of the corresponding molar fractions, and the activity values of Al, Si, and Fe are smaller in the central portion of the triangle of ternary components. It indicates that there is a strong interaction between the three elements, which easily forms ternary intermetallic compounds.

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“…P, Q, and R* are constants. Constant P has values of 14.2 and 10.7 (Alsaedi et al, 2020;Imani & Enayati, 2017;Li, 2014). The metal status of being transitioned or non-transitioned describes this difference in P values.…”

Section: Thermodynamic Analysis Miedema Modelmentioning

confidence: 99%

ESTIMATION OF THERMODYNAMIC PARAMETERS OF Ni-Si BASE ALLOYS USING THE SEMI-EMPIRICAL MIEDEMA MODEL

Alsaedi

Abbas

Alaboodi

et al. 2022

MJS

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In this paper, we present a calculation method for evaluating the possibility of enhancing the thermal stability of nickel silicide by alloying with metals, which consists in determining the formation enthalpy (∆H) of nickel silicide using the Miedema model. Changes in formation enthalpy (∆H) were observed for nickel silicides that were alloyed with Mo, Pt, Pd, W, and Zr. The MAAT (Materials Analysis Applying Thermodynamics) software was used to calculate and plot the formation enthalpy of binary and ternary systems. Based on our calculations, we found that in binary systems, the optimum values to expand the formation enthalpy were 51.28 and 49.57 kJ/mol for nickel silicide alloys. For the ternary system, the results showed that adding Zr could increase monosilicide phase stability.

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Estimation of the functions of some iron-based ternary systems within Miedema model and comparison with experiment

Cited by 5 publications

References 32 publications

Wear Behavior of Iron Based Alloys with Different Entropy Extent Estimated by Miedema's Model

Wear Behavior of Iron Based Alloys with Different Entropy Extent Estimated by Miedema's Model

Theoretical Investigation of Thermodynamic Properties of the Al–Si–Fe Ternary Alloy

ESTIMATION OF THERMODYNAMIC PARAMETERS OF Ni-Si BASE ALLOYS USING THE SEMI-EMPIRICAL MIEDEMA MODEL

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