Thermodynamics of rare earth alloys: systematics and experimental

Ferro, R.; Borzone, G.; Cacciamani, G.; Parodi, Nadia

doi:10.1016/s0040-6031(98)00266-4

Cited by 27 publications

(20 citation statements)

References 103 publications

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“…In general, the heat of formation is more reliable than the cohesive energy, due to error cancellation from the similar compounds in the former case. On the other hand, the present results are in good agreement with the available experimental data [21,22] and the previous theoretical calculations [11,23], as shown in Table 1.…”

supporting

confidence: 93%

Elastic properties and electronic structures of MgCe intermetallic compounds from first‐principles calculations

Wang

et al. 2011

Physica Status Solidi (b)

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First-principles calculations have been carried out to investigate the elastic properties and electronic structures of the main binary Mg-Ce phases MgCe, Mg 2 Ce, and Mg 3 Ce. The optimized equilibrium lattice constants are in agreement with the available experimental values, and the structural stability of MgCe, Mg 2 Ce, and Mg 3 Ce is studied from the calculated heat of formation and cohesive energy. The elastic constants C ij of these phases are calculated; then the bulk modulus, shear modulus, Young's modulus, Cauchy pressure, and the ratio of bulk to shear modulus B/G are further investigated. The obtained results indicate that Mg 2 Ce has the best ductility and plasticity, while Mg 3 Ce is the hardest and the most brittle among the three Mg-Ce phases. The density of states (DOSs) and charge density distribution of the Mg-Ce phases are also calculated to reveal the underlying mechanism for the structural stability and elastic properties of these Mg-Ce phases.

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supporting

confidence: 93%

Elastic properties and electronic structures of MgCe intermetallic compounds from first‐principles calculations

Wang

et al. 2011

Physica Status Solidi (b)

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“…In this work another phase has been identified: it corresponds to the composition range Ho(Cu x Al 1Kx ) 6 with 0.805%x%0.83. The composition and the diffraction patterns show close similarity to those of the YbCu 4 Al 2 compound, which has the tI14 YbMo 2 Al 4 type structure [30].…”

Section: Resultsmentioning

confidence: 99%

“…In the case of the trivalent lanthanides, the atomic number itself (or a property such as the atomic, metallic or ionic, radius or Pettifor's chemical scale [4]) may be used as a suitable 'chemical co-ordinate'. A systematic description and discussion of the constitutional properties (phase formulae and structures, phase diagrams, formation thermodynamics) of the trivalent rare earth compounds has often been presented with reference to the previous remarks (see for instance [5,6]). …”

Section: Introductionmentioning

confidence: 99%

The isothermal section at 500°C of the Al–Cu–Ho ternary system

et al. 2005

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“…As the enthalpies of mixing in the La-Fe melt are rather small, one could at least guess that their precise measurement is particularly challenging. In any case Berezutskii et al [16] underlined the complexity of thermodynamic experiments in rare earth transition element melts, which is primarily caused by the high reactivity of rare earth elements [1,64] and impurities issues. [64] A better reproduction of the experimental enthalpies of mixing leads to a worse reproduction of the eutectic composition.…”

Section: Liquidmentioning

confidence: 99%

“…In any case Berezutskii et al [16] underlined the complexity of thermodynamic experiments in rare earth transition element melts, which is primarily caused by the high reactivity of rare earth elements [1,64] and impurities issues. [64] A better reproduction of the experimental enthalpies of mixing leads to a worse reproduction of the eutectic composition. Even though it is possible to move the latter closer towards the experimental values by a still more positive BT of 0 L liq Fe 2þ ;La 3þ :Va resulting in a higher mixing entropy, this strategy is not recommended, as it inevitably leads to an inverse liquid-liquid miscibility gap, which is definitely unphysical.…”

Section: Liquidmentioning

confidence: 99%

Thermodynamic Assessment of the La-Fe-O System

Povoden-Karadeniz

Grundy²,

Chen

et al. 2009

J. Phase Equilib. Diffus.

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The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling. Oxygen nonstoichiometry of perovskite-structured La 1±x Fe 1±y O 32d is modeled using the compound energy formalism (CEF), and the model is submitted to a defect chemistry analysis. The contribution to the Gibbs energy of LaFeO 3 due to a magnetic orderdisorder transition is included in the model description. Lanthanum-doped hexaferrite, LaFe 12 O 19 , is modeled as a stoichiometric phase. D f,elements°H298 K (LaFe 12 O 19 ) = 25745 kJ/mol,°S 298 K (LaFe 12 O 19 ) = 683 J/mol AE K, and D f,oxides°G (LaFe 12 O 19 ) = 4634 2 37.071T (J/mol) from 1073 to 1723 K are calculated. The liquid phase is modeled using the two-sublattice model for ionic liquids. The calculated La-Fe phase diagram, LaO 1.5 -FeO x phase diagrams at different oxygen partial pressures, and phase equilibria of the La-Fe-O system at 873, 1073, and 1273 K as a function of oxygen partial pressures are presented.

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Thermodynamics of rare earth alloys: systematics and experimental

Cited by 27 publications

References 103 publications

Elastic properties and electronic structures of MgCe intermetallic compounds from first‐principles calculations

Elastic properties and electronic structures of MgCe intermetallic compounds from first‐principles calculations

The isothermal section at 500°C of the Al–Cu–Ho ternary system

Thermodynamic Assessment of the La-Fe-O System

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