On the heats of formation of transition metal-p metal alloys

Pasturel, A.; Hicter, P.; Cyrot‐Lackmann, F.

doi:10.1016/0022-5088(82)90203-x

Cited by 43 publications

(5 citation statements)

References 14 publications

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“…This thermodynamic behavior of the Co-Sb melts is indicative of insignificant ordering. According to theory, the energy physics in the formation of transient-metal-p-metal alloys is determined by electron parameters of components in a rigid zone model [12]. The exothermic mixing enthalpies in the Co-Sb system in this model are attributed to filling the defect 3d band of Co with valence sp electrons of antimony leading to energy release.…”

Section: Discussion Of Resultsmentioning

confidence: 99%

Thermal chemistry and short-range order in Co-Sb melts

Иванов

Tedenac

Bulanova

et al. 2007

Powder Metall Met Ceram

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The enthalpies of mixing for the liquid Co-Sb alloys are measured by isoperibolic calorimetry at 1600 K over the whole concentration range relative to liquid Sb and undercooled liquid Co. The minimal integral enthalpy of mixing is −6.3 ± 0.6 kJ/ mole at x Co = 0.50. Activity of components, Gibbs energy, and the entropy of mixing are calculated using a short-range ordering model considering CoSb associates formed in molten Co-Sb alloys.

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Section: Discussion Of Resultsmentioning

confidence: 99%

Thermal chemistry and short-range order in Co-Sb melts

Иванов

Tedenac

Bulanova

et al. 2007

Powder Metall Met Ceram

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“…NiAl compounds are characterised by exceptionally negative thermodynamic data of mixing and the rigid-band approach already explains the main features of this strong non-ideal mixing behaviour [ 2 ] . To demonstrate that our calculations can also give quantitative informations about the thermodynamic behaviour of NiAl compounds, we compare in figure 2 calculated energies of formation with experimental results.…”

Section: Energies Of Formationmentioning

confidence: 99%

“…the electronic structure) rather than simply by size factors. The first approach using these electronic arguments has been the rigid band theory [2]; it gives a simple analysis of the thermodynamic data, characterised by an electronic charge rearrangement due to the s p d interaction. However the limitations of such an approach are obvious and a better understanding of the hybridisation effect is necessary to get a more precise interpretation of thermodynamic data.…”

Section: Introductionmentioning

confidence: 99%

“…In this paper, we present the calculation of the electronic structure of Ni-AI compounds and then study the hybridisation effects and their consequences for electronic and thermodynamic properties. We focus our attention on this system since the determination of enthalpies of formation represents the first step towards a microscopic calculation of phase diagram [ 7 ] , and that NiAl system can be considered as the prototype-phase diagram to perform such calculations [2].…”

Section: Introductionmentioning

confidence: 99%

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A tight-binding analysis of cohesive properties in the Ni-Al system

Colinet¹,

Bessoud²,

Pasturel³

1989

J. Phys.: Condens. Matter

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A simple tight-binding model is used for a quantitative study of hybridisation effects in nickel-aluminium compounds. The model is not an ab initio calculation but it requires only the data on elemental properties of pure metal constituents which are readily available in the literature. Combined with an extended Cluster Bethe Lattice Method, this approach allows the energy of formation of these compounds to be calculated and the chemical trends in the bonding properties to be analysed.

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“…In [48] the theoretical method of the definition of c: was elaborated. In the present calculation we have used c; = 0.55 [47].…”

Section: The Calculation Of the Thermodynamic Properties Of Liquid Ni...mentioning

confidence: 99%

Pseudopotential calculation of thermodynamic properties and glass transition temperatures of binary Ni-Al alloys

Landa

Yuryev

Ruban

et al. 1991

J. Phys.: Condens. Matter

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The pseudopotential method and thermodynamic perturbation theoryare applied to investigate the thermodynamics of Ni-AI alloys. The Einstein model approximation in the solid phase and the PercusYevick hard-sphere approximation in the liquid phase are chosen as reference systems. I n all the calculations the local Animalu pseudopotential and the non-local pseudopotential with resonant contribution in the case of a transition metal are used. Thestaticconcentration-wave method isapplied toinvestigate the ordering process in the solid phase. Taking charge transfer into consideration within the framework of the non-local resonant porential model, we have described the featuresofthe mainexcess mixing characteristics and the dynamic viscosity in the liquid system studied. I t is shown that in Ni5,,Alw alloy the Kauzmann reduced temperature is higher than in pure Ni but insufficient for ready glass formation.

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On the heats of formation of transition metal-p metal alloys

Cited by 43 publications

References 14 publications

Thermal chemistry and short-range order in Co-Sb melts

Thermal chemistry and short-range order in Co-Sb melts

A tight-binding analysis of cohesive properties in the Ni-Al system

Pseudopotential calculation of thermodynamic properties and glass transition temperatures of binary Ni-Al alloys

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