Melting and phase diagram of Au-Cu alloy at nanoscale

Chu, May; Zhang, C.; Liang, Xianqing; Hu, Chaohao; Ma, Guansheng; Fang, Runze; Tang, Chengying

doi:10.1016/j.jallcom.2021.162029

Cited by 7 publications

(7 citation statements)

References 63 publications

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Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 85%

“…In addition, the calculated solidus temperature for nanoparticles with a diameter of 10 nm is greater than those achieved from experiments [14]. When comparing the experimental results with those achieved from computations, it should be noted that the experimental results are actually related to a set of nanoparticles with a size distribution of 7 to 14 nanometers [14], so, a difference in results between experimental data and those of modeling is expected. In addition, it should be brought to attention that the CALPHAD method is a semi-empirical technique, and the use of appropriate experimental data is essential to be able to optimize the model parameters and computational accuracy.…”

Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 85%

“…The solidus temperatures calculated by Cui et al [11] and Chernyshev [12] for some specific compositions are also given for comparison. In addition, experimental solidus temperature [14] for Au-50%Cu nanoparticles with a diameter of 10 nm is also plotted on the figure 3.…”

Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 99%

“…Recently, Chu et al [14] Experimentally measured the melting temperature of Au -Cu alloy nanoparticles with a composition of 50% and a particle size of 10 nm. They also used the CALPHAD (CALculation of PHAse Diagrams) method to calculate the phase diagram of Au -Cu nanoparticles.…”

Section: Introductionmentioning

confidence: 99%

“…CALPHAD (CALculation of PHAse Diagrams) method is a reliable and powerful technique for predicting phase diagram of bulk alloys which can be extended to nano-scale systems by adding the surface Gibbs free energy contributions to the total Gibbs energy of the system [8]. In conventional nano -CALPHAD models [8,14,15], the size dependency of the surface energies is neglected and replaced by the surface energies of the bulk materials. So, it is believed that conventional nano -CALPHAD models cannot be applied to nanoparticles generally smaller than 10 nm in diameter [16].…”

Section: Introductionmentioning

confidence: 99%

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Revisiting The Phase Diagram of Au – Cu Alloy at Nanoscales

MONJİ

JABBAREH

2022

International Journal of Thermodynamics

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Au -Cu nanoparticles are widely used as catalysts in different chemical reactions. Since knowing the phase diagram of nano-alloys is crucial for effective design of nano-catalysts, there have been many efforts to predict the size effect on the phase diagram of the Au -Cu system. However, reported results are inconsistent and sometimes contradictory. In this work, a CALPHAD type thermodynamic model was applied to recalculate the phase diagram of Au -Cu binary alloy nanoparticles at different sizes. The results show that decreasing particle size decreases liquidus and solidus temperatures as well as the congruent melting point. It was also found that by reduction of the particle size, the composition of the congruent alloy shifts towards the Aurich side of the phase diagram.

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Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 85%

Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 85%

Section: Figure 2 Calculated Surface Contribution Of the Gibbs Free E...mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Revisiting The Phase Diagram of Au – Cu Alloy at Nanoscales

MONJİ

JABBAREH

2022

International Journal of Thermodynamics

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On the size- and shape-dependence of integral and partial molar Gibbs energies, entropies, enthalpies and inner energies of solid and liquid nano-particles

Kaptay

2024

J Mater Sci

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In this paper the size- and shape dependences of 8 different integral and partial molar thermodynamic quantities are derived for solid and liquid nano-phases, starting from the fundamental equation of Gibbs: i) The integral molar Gibbs energies of nano-phases and the partial molar Gibbs energies of components in those nano-phases, ii) The integral molar enthalpies of nano-phases and the partial molar enthalpies of components in those nano-phases, iii) The integral molar entropies of nano-phases and the partial molar entropies of components in those nano-phases, and iv). The integral molar inner energies of nano-phases and the partial molar inner energies of components in those nano-phases. All these 8 functions are found proportional to the specific surface area of the phase, defined as the ratio of its surface area to its volume. The equations for specific surface areas of phases of different shapes are different, but all of them are inversely proportional to the characteristic size of the phase, such as the diameter of a nano-sphere, the side-length of a nano-cube or the thickness of a thin film. Therefore, the deviations of all properties discussed here from their macroscopic values are inversely proportional to their characteristic sizes. The 8 equations derived in this paper follow strict derivations from the fundamental equation of Gibbs. Only the temperature dependent surface energy of solids and surface tension of liquids will be considered as model equations to simplify the final resulting equations. The theoretical equations are validated for the molar Gibbs energy against the experimental values of liquidus temperatures of pure lead. The theoretical equations for the molar enthalpy are validated i). Against the experimental values of dissolution enthalpy differences between nano- and macro cobalt particles in the same liquid alloy and ii). Against the size dependent melting enthalpy of nano-indium particles. In this way, also the theoretical equations for the molar entropy and molar inner energy are validated as they are closely related to the validated equations for the molar Gibbs energy and molar enthalpy.

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