Application of the Kaufman approach to the calculation of intra-rare earth phase diagrams

Shiflet, G. J.; Lee, J.K.; Aaronson, H.I.

doi:10.1016/0364-5916(79)90013-0

Cited by 31 publications

(3 citation statements)

References 5 publications

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“…The Gschneidner and Calderwood phase diagram considers Pr-Nd alloys to behave as ideal solutions, and therefore represents phase transformations by straight lines rather than showing two-phase fields. This representation is consistent with the general principle that alloys of trivalent rare-earth elements with atomic numbers that differ by less than ~±4 behave as ideal solutions at high temperatures [10], with experimental data from Lundin and colleagues [362,366], and with a phase diagram calculated by Shiflet et al [367]. However, it is not consistent with the phase diagram of Markova et al, which shows two-phase fields involving temperature differences of up to ~100 °C.…”

Section: Phase Diagramssupporting

confidence: 80%

“…However, it is not consistent with the phase diagram of Markova et al, which shows two-phase fields involving temperature differences of up to ~100 °C. It seems likely that the range of temperatures included in a possible two-phase fields are highly dependent on the impurity content of the individual samples used to construct the phase diagram [363,367].…”

Section: Phase Diagramsmentioning

confidence: 99%

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FCRD Advanced Reactor (Transmutation) Fuels Handbook

Janney

Papesch

2016

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Transmutation of minor actinides such as Np, Am, and Cm in spent nuclear fuel is of international interest because of its potential for reducing the long-term health and safety hazards caused by the radioactivity of the spent fuel. One important approach to transmutation (currently being pursued by the DOE Fuel Cycle Research & Development Advanced Fuels Campaign) involves incorporating the minor actinides into U-Pu-Zr alloys, which can be used as fuel in fast reactors. U-Pu-Zr alloys are well suited for electrolytic refining, which leads to incorporation rare-earth fission products such as La, Ce, Pr, and Nd. It is, therefore, important to understand not only the properties of U-Pu-Zr alloys but also those of U-Pu-Zr alloys with concentrations of minor actinides (Np, Am) and rare-earth elements (La, Ce, Pr, and Nd) similar to those in reprocessed fuel.

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Section: Phase Diagramssupporting

confidence: 80%

Section: Phase Diagramsmentioning

confidence: 99%

FCRD Advanced Reactor (Transmutation) Fuels Handbook

Janney

Papesch

2016

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“…(9,15). It should be noted that, in contrast to the present case, the Kaufman method is typically used to calculate phase diagrams via free energy data generated from purely theoretical interaction parameters (9,16). Furthermore, most of the binary systems to which Kaufman has applied this approach involve elements in the group numbers 4-10, with particular emphasis having been placed upon refractory metal systems.…”

Section: Free Energy Calculationsmentioning

confidence: 99%

The Electrochemical Stability and Calculated Free Energies of PtCr Alloys

Glass¹,

Cahen²

1988

J. Electrochem. Soc.

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In this investigation the calculated free energies and electrochemical stability of the normalPtCr system are presented as well as the calculated free energies of the normalPtZr , normalPtTi , and the normalPtV systems. These alloy systems are currently of interest as fuel cell electrodes providing dealloying does not occur and cause degradation of performance. The calculations indicate that the normalPtZr and normalPtCr systems are the most stable with respect to their elements, followed by normalPtTi and finally by the normalPtV system. These results are consistent with the experimental data of previous investigations involving the compositional stability in a fuel cell environment for Pt4normalZr , Pt3normalTi , and Pt3V . The normalPtCr calculations are compared with the experimental electrochemical results of this investigation and are found to support the experimental findings in the low chromium concentration samples but do not support the findings for the higher chromium concentration alloys. Experimental results indicated that the samples of 0–35 atom percent (a/o) Cr were electrochemically very stable although the 25 a/o disordered specimen did undergo some minor changes during cycling. The 50 and 80 a/o Cr samples were quite unstable during cycling, yielding a large surface area increase and a depleted Cr layer. The Cr sample was also quite unstable as seen by the surface pitting which occurred.

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Crystal Shapes and Phase Equilibria: A Common Mathematical Basis

and¹,

Carter²

1998

The Selected Works of John W. Cahn

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Geometrical constructions, such as the tangent construction on the molar free energy for determining whether a particular composition of a solution, is stable, are related to similar tangent constructions on the orientation-dependent interfacial energy for determining stable interface orientations and on the orientation dependence of the crystal growth rate which tests whether a particular orientation appears on a growing crystal. Subtle differences in the geometric constructions for the three fields arise from the choice of a metric (unit of measure). Using results from studies of extensive and convex functions we demonstrate that there is a common mathematical structure for these three disparate topics, and use this to find new uses for well-known graphical methods for all three topics. Thus the use of chemical potentials for solution thermodynamics is very similar to known vector formulations for surface thermodynamics, and the method of characteristics which tracks the interfaces of growing crystals; the Gibbs-Duhem equation is analogous to the Cahn-Hoffman equation. The Wulff construction

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Application of the Kaufman approach to the calculation of intra-rare earth phase diagrams

Cited by 31 publications

References 5 publications

FCRD Advanced Reactor (Transmutation) Fuels Handbook

FCRD Advanced Reactor (Transmutation) Fuels Handbook

The Electrochemical Stability and Calculated Free Energies of PtCr Alloys

Crystal Shapes and Phase Equilibria: A Common Mathematical Basis

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