On the Order–Disorder Surface Phase Transition and Critical Temperature of Pure Metals Originating from BCC, FCC, and HCP Crystal Structures

Kaptay, George

doi:10.1007/s10765-012-1270-5

Cited by 10 publications

(3 citation statements)

References 33 publications

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“…For liquid metals and alloys originating from fcc, hcp and bcc solid metals, this estimation gives the following parameters: f = 1.00, α = 2/11 = 0.182 [51]. The latter follows from the average bulk coordination number of 11 (based on measured values) and the surface coordination number of 9 (corresponding to the 111 plane of the fcc crystal with a missing top layer, supposing the surface layer around the melting point is ordered [52]). These values are similar to the values used by other authors [29][30][31][32].…”

Section: Surface Tension and Surface Phase Transition Of Immiscible L...mentioning

confidence: 99%

A Unified Theoretical Framework to Model Bulk, Surface and Interfacial Thermodynamic Properties of Immiscible Liquid Alloys

Vegh

Mekler

Kaptay

2013

MSF

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Bulk, surface and interface thermodynamics of immiscible liquid alloys are considered within a unified theoretical framework. For bulk thermodynamic functions the exponential and the combined linear-exponential equations are discussed, obeying the 4th law of thermodynamics. Surface phase transition is discussed in details. For surface and interface thermodynamics the monolayer Butler equation is compared to the multilayer model. During further assessment of bulk thermodynamic data of immiscible liquid alloys their experimentally measured surface tension and interfacial energy should be also taken into account, coupled with the models presented here.

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Section: Surface Tension and Surface Phase Transition Of Immiscible L...mentioning

confidence: 99%

A Unified Theoretical Framework to Model Bulk, Surface and Interfacial Thermodynamic Properties of Immiscible Liquid Alloys

Vegh

Mekler

Kaptay

2013

MSF

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“…20,21 As a result, the extrapolations from the experimental data exhibit large variations. 17,[22][23][24] For instance, estimates for the critical temperature of Al vary from around T c = 5500 K to T c = 9600 K. 25 Similarly for Cu, the estimated critical temperatures range from 5100 K to 8900 K. 26,27 To bridge this gap in knowledge, recent work has led to the determination of the critical properties from low temperature liquid data. These studies either used a power series law for the diameter 17 or a new symmetrized equation for the vapor liquid coexistence curve.…”

Section: Introductionmentioning

confidence: 99%

“…This is due to the large temperatures involved in the determination of the critical parameters of metals (the liquid range of metals can cover temperatures which may go above 10000 K). These are particularly challenging to investigate and require special experimental techniques like the ”exploding-wire” technique. , As a result, the extrapolations from the experimental data exhibit large variations. ,− For instance, estimates for the critical temperature of Al vary from around T c = 5500 K to T c = 9600 K . Similarly for Cu, the estimated critical temperatures range from 5100 to 8900 K. , To bridge this gap in knowledge, recent work has led to the determination of the critical properties from low temperature liquid data.…”

Section: Introductionmentioning

confidence: 99%

Scaling Laws and Critical Properties for fcc and hcp Metals

2016

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The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in metals. Moreover, experiments have shown that these systems exhibit an unusually strong asymmetry of their binodal. Recent theoretical work has led to new similarity laws, based on the calculation of the Zeno line and of the underlying Boyle parameters, which provided results for the critical properties of atomic and molecular systems in excellent agreement with experiments. Using the recently developed expanded Wang-Landau (EWL) simulation method, we evaluate the grand-canonical partition function, over a wide range of conditions, for 11 fcc and hcp metals (Ag, Al, Au, Be, Cu, Ir, Ni, Pb, Pd, Pt, and Rh), modeled with a many-body interaction potential. This allows us to calculate the binodal, Zeno line, and Boyle parameters and, in turn, obtain the critical properties for these systems. We also propose two scaling laws for the enthalpy and entropy of vaporization, and identify critical exponents of 0.4 and 1.22 for these two laws, respectively.

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A coherent set of model equations for various surface and interface energies in systems with liquid and solid metals and alloys

Kaptay

2020

Advances in Colloid and Interface Science

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On the Order–Disorder Surface Phase Transition and Critical Temperature of Pure Metals Originating from BCC, FCC, and HCP Crystal Structures

Cited by 10 publications

References 33 publications

A Unified Theoretical Framework to Model Bulk, Surface and Interfacial Thermodynamic Properties of Immiscible Liquid Alloys

A Unified Theoretical Framework to Model Bulk, Surface and Interfacial Thermodynamic Properties of Immiscible Liquid Alloys

Scaling Laws and Critical Properties for fcc and hcp Metals

A coherent set of model equations for various surface and interface energies in systems with liquid and solid metals and alloys

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