Modeling of γ/γ′ phase equilibrium in the nickel-aluminum system

Sanchez, Juan M; Barefoot, Jeffrey; Jarrett, R. N.; Tien, J. K.

doi:10.1016/0001-6160(84)90098-1

Cited by 114 publications

(34 citation statements)

References 18 publications

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“…which is proved 5) to be adequate for metallic systems. The potential has the minimum Àe i j at the distance r ij , which can be considered as the amount of chemical interaction and the atomic size, respectively.…”

Section: Interatomic Potentialsmentioning

confidence: 99%

Structural Relaxation in Supercooled Liquids

Shimono¹,

Onodera²

2005

Mater. Trans.

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Relaxation behavior of structural change at the atomic cluster level in supercooled liquids during isothermal annealing processes is investigated for a model alloy system by using molecular dynamics simulations. The simulation results show that the number density of icosahedral clusters increases with the annealing time. Moreover, the number density of icosahedral clusters, the structural relaxation time, and the atomic diffusivity strongly correlate with the packing density of the supercooled liquids for many kinds of systems of alloying components with a variety of atomic size ratios and heats of mixing. This suggests that the packing density would be a good probe to estimate the stability of supercooled liquid phases and the glass-forming ability of the system.

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Section: Interatomic Potentialsmentioning

confidence: 99%

Structural Relaxation in Supercooled Liquids

Shimono¹,

Onodera²

2005

Mater. Trans.

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“…The grand potential function, ⍀, is used to calculate the equilibrium states in this paper. For each phase, the grand potential per lattice site is defined 21 as…”

Section: Cvm Cube Approximationmentioning

confidence: 99%

“…The systems considered consist of a binary host alloy with interstitials, i.e., a fcc substitutional 17,21 One further remark has to be made regarding the energy E and the entropy S. The vibrational contributions to energy and entropy are not considered in the calculations, since the main purpose of the present work is to qualitatively demonstrate how the proposed formalism describes the coupling of S and I sublattices and to show the effect of that on phase diagrams.…”

Section: Application To Calculations Of Phase Diagramsmentioning

confidence: 99%

“…CVM allows one to evaluate the presence of short-and long-range order. [10][11][12][13][14][15][16][17] In the present calculations it was assumed that both the S and I sublattices of a fcc system exhibit a disordered ͑A1͒ structure, i.e., the starting symmetry of the structure was described by taking X m = X n = X p = X s for m = n = p = s equal to 1 or 2 ͑on the S sublattice͒ and system. This can be achieved by comparing the site occupancies of the cube clusters calculated for a fixed composition and temperature from the cluster distribution variables C ijklmnps ␣␤␥␦ obtained by CVM, with those corresponding to a random distribution of atoms at the same composition.…”

Section: Application To Calculations Of Phase Diagramsmentioning

confidence: 99%

“…5-9͒ is used to describe the substitutional-interstitial systems as it has been recognized to provide a reliable way to estimate the configurational entropy and to predict thermodynamic properties and phase transformations in systems that show orderdisorder transformations. [10][11][12][13][14][15][16] The main approximation in the CVM is the choice of a basic cluster up to which the atomic correlations are accounted for in the free energy functional. Recently, the combination of CVM with ab initio calculations has opened the path towards a priori predictions of phase diagrams in solid systems.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Unified approach for cluster variation method calculations of phase diagrams in fcc substitutional alloys with interstitial species

2006

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Some alloys show interstitial-induced phase transitions and order-disorder transitions due to the mutual interactions between the interstitial ͑I͒ species and the substitutional ͑S͒ host lattice. An innovative approach, based on the cluster variation method ͑CVM͒, that takes this coupling into account is proposed here for the calculation of thermodynamic data and phase boundaries. In the case of fcc substitutional alloys with interstitial species a simple cube is chosen as the basic cluster. The cube is defined such that it explicitly accounts for the mutual interaction between the S and the I sublattices comprising the system. Expressions for the configurational entropy in the cube approximation and the internal energy are derived. Phase diagrams for several hypothetical binary host alloys with interstitials are calculated. The results obtained using the proposed simplecube approximation demonstrate the effect of mutual interactions on the phase boundaries.

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Dimensional Variations Produced by Order–Disorder Transitions

Povolo¹,

Mosca²

1997

phys. stat. sol. (a)

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Modeling of γ/γ′ phase equilibrium in the nickel-aluminum system

Cited by 114 publications

References 18 publications

Structural Relaxation in Supercooled Liquids

Structural Relaxation in Supercooled Liquids

Unified approach for cluster variation method calculations of phase diagrams in fcc substitutional alloys with interstitial species

Dimensional Variations Produced by Order–Disorder Transitions

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