Modeling of lattice parameter in the Ni-Al system

Wang, Tao; Zhu, Jianxin; Chen, Lei; Liu, Zhe; MacKay, Rebecca A.

doi:10.1007/s11661-006-0211-y

Cited by 34 publications

(15 citation statements)

References 63 publications

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“…They are usually scattered because of their sensitivity to the details of alloy processing. [1] Those uncertainties may sometimes even lead to a change in the sign of the lattice mismatch.…”

Section: Introductionmentioning

confidence: 99%

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions

Wang

Chen

Liu

2007

Metall Mater Trans A

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The lattice parameters and the local lattice distortions around solute atoms in fcc-Ni solutions were studied using first-principles calculations. The solute atoms considered include Al, Co, Cr, Hf, Mo, Nb, Re, Ru, Ta, Ti, and W. The calculations were performed using supercells with 1 solute atom and 107 solvent atoms. It is found that the atomic size difference, the electronic interactions, and the magnetic spin relations between the solute and solvent atoms all contribute to the lattice distortions. Based on the results from first-principles calculations, the linear composition coefficients of fcc Ni lattice parameter for different solutes were determined, and the lattice parameters of multicomponent Ni-base superalloys as a function of solute composition were predicted. The results are compared with existing experimental measurements, and good agreements are obtained for both the compositional dependence of lattice parameters and the local lattice distortions.

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Section: Introductionmentioning

confidence: 99%

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions

Wang

Chen

Liu

2007

Metall Mater Trans A

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“…The contribution of other elements to the lattice constant of the B2 phase depends on its size and specific location in every sublattice, according to the structural triple point defects generated in this alloy [6]. Based on the sublattice model for NiAl by I. Ansara [5] and The coupled behavior between composition and lattice constant has already been studied by Bozzolo [13] and Pike [31] for the binary NiAl systems, which follows the Vergard s law for substitutional solid solution alloys. The contribution of other elements to the lattice constant of the B2 phase depends on its size and specific location in every sublattice, according to the structural triple point defects generated in this alloy [6].…”

Section: Discussionmentioning

confidence: 99%

Study of the Isothermal Oxidation Process and Phase Transformations in B2-(Ni,Pt)Al/RENE-N5 System

Cáceres-Díaz

Alvarado-Orozco

Ruiz-Luna

et al. 2016

Metals

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Changes in composition, crystal structure and phase transformations of B2-(Ni,Pt)Al coatings upon isothermal oxidation experiments (natural and scale free oxidation) at 1100 • C, as a function of time beyond their martensitic transformation, are reported. Specifically, the analysis of lattice parameter and composition are performed to identify changes in the B2-(Ni,Pt)Al phase upon the chemically-driven L1 0 -(Ni,Pt)Al and L1 2 -(Ni,Pt) 3 Al transformations. The B2-(Ni,Pt)Al phase was found to disorder and transform the martensite during the heat treatments for both oxidation experiments at approximately 36.3 and 40.9 at. % of Al, 47.7 and 42.9 at. % of Ni, 6.2 and 8.5 at. % of Pt, 4.2 and 2.9 at. % of Cr and 4.4 and 3.8 at. % of Co. The lattice constant and the long-range order parameter of the B2-(Ni,Pt)Al phase decreased linearly as a function of the elemental content irrespective of the nature of the oxidation experiments.

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“…The crystallographic data used for the calculation is listed in Table 2. [16][17][18] The lattice parameters of the fcc Ni were calculated using the equation proposed by Wang et al 16) The lattice parameter of TiO at 1 726 K was the estimated using the linear thermal expansion. Since there is a lack of data on TiO, the thermal expansion coefficient of TiN has been adopted as the value of TiO 18) because the TiN has the same NaCl structure with TiO.…”

Section: Tem Examinationmentioning

confidence: 99%

Effect of Ti and Al Addition on Solidification Structure of Ni–Fe–Mo–Cu Alloys

et al. 2011

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The effect of the addition of Ti and Al on the solidification structure of Ni-4%Mo-5%Cu-13%Fe (mass%) alloys was investigated. It was found that the addition of an optimal amount of both Ti and Al affects on the formation of equiaxed fine grains. Oxide films formed on the molten alloy surface (scum) were examined using a transmission electron microscope equipped with energy dispersive spectrometers. The scum was analyzed and found to contain two separated phases of TiO with the monoclinic structure and Al2O3 with the corundum structure. The TiO might be the NaCl structure at the melting point of the matrix phase.According to the lattice disregistry between the fcc Ni and oxides TiO with the NaCl structure has lower disregistry than Al2O3 with the corundum structure. These facts suggest that TiO precipitated with Al2O3 in Ni melt can form heterogeneous nucleation sites for the fcc Ni phase. The distribution conditions of TiO may be different between the Ti-added alloys and those with the addition of both Al and Ti. It is considered that the addition of both Al and Ti causes fine dispersion of TiO and promotes nucleation of the primary fcc Ni phase.

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Modeling of lattice parameter in the Ni-Al system

Cited by 34 publications

References 63 publications

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions

Study of the Isothermal Oxidation Process and Phase Transformations in B2-(Ni,Pt)Al/RENE-N5 System

Effect of Ti and Al Addition on Solidification Structure of Ni–Fe–Mo–Cu Alloys

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