On the Zr-Hf System

Russell, Rod

doi:10.1063/1.1721254

Cited by 56 publications

(7 citation statements)

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“…The lattice parameter obtained for Hf 2 Pt at room temperature was a = 12.467(2) Å , in good agreement with that of 12.461 Å reported by Nevitt and Schwartz [18] for a sample of composition Hf 70 Pt 30 . The lattice parameters obtained for a-Hf of a = 3.1796(3) and c = 5.0696(4) A agree reasonably well with those reported by Russell [20] of a = 3.1964 and c = 5.0511 Å for a-Hf with 3% Zr, indicating that little if any Pt is incorporated in the a-Hf phase at room temperature.…”

Section: Hfptsupporting

confidence: 78%

The Hafnium-Platinum Phase Diagram

Stalick

Waterstrat

2013

J. Phase Equilib. Diffus.

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Phase relationships were determined in the Hf-Pt system at temperatures up to 1690°C using both metallographic and neutron Rietveld refinement techniques. An unusual displacive transformation is observed below 200°C in the rhombohedral compound Hf 3 Pt 4 , similar to that recently discovered in the compound Zr 3 Pt 4 . Crystallographic data are presented for the compounds HfPt 4 , HfPt 3 , Hf 2 Pt 3 , Hf 3 Pt 4 , HfPt, and Hf 2 Pt. A complete phase diagram is presented for the Hf-Pt binary system.

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Section: Hfptsupporting

confidence: 78%

The Hafnium-Platinum Phase Diagram

Stalick

Waterstrat

2013

J. Phase Equilib. Diffus.

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“…Fig. 3-a shows that the Hf powder was hexagonal, in accordance with the 638559 file in the FIZ Karlsruhe-ICSD database [40]. Two extra diffraction peaks were assigned to the phenolic resin in which the milled powder was embedded, confirmed by a resin-only diffraction measurement.…”

Section: Laboratory Xrd Characterisationsupporting

confidence: 67%

Microstructural and mechanical characterisation of Fe-14Cr-0.22Hf alloy fabricated by spark plasma sintering

Auger

Huang

Zhang

et al. 2018

Journal of Alloys and Compounds

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Fe-14Cr pre-alloyed powder and pure Hf powder were mechanically alloyed to produce powder with nominal composition Fe-14Cr-0.22Hf (wt. %) that was consolidated by the spark plasma sintering (SPS) technique in order to investigate the ability of Hf to produce a nanometric dispersion of oxide particles in a ferritic matrix. Comprehensive microstructural and mechanical characterisation of the as-milled powder and the consolidated material was performed using electron microscopy, X-ray diffraction, atom probe tomography and indentation techniques. It was shown that Hf additions can effectively produce, by internal oxidation, a fine scale dispersion of Hf-O nanoparticles in the consolidated material. A uniform grain structure was produced in the alloy. Although the nanoparticle dispersion was not homogeneous at the finest scale, the resulting dispersion strengthening contributed *Manuscript Click here to view linked References 2 significantly to the hardness. According to these results, internal oxidation of reactive elements rather than direct addition of oxides may offer additional opportunities in the design and development of oxide dispersion strengthened steels.

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“…Similarly, we computed DMC total energies for various volumes of a Hf hcp unit cell with the ratio of c/a fixed at the experimental value of 1.58. 69 We generated trial wavefunctions with DFT calculations using LDA and GGA XC functionals on a 12 × 12 × 12 k-point mesh for k-point convergence using the hcp primitive unit cell. We also performed a finite-size analysis for the DMC result of bulk hcp Hf by twist-averaging DMC total energies over total 64 twists to reduce the one-body finite size effect.…”

Section: B Pseudopotentials Validation and Verificationmentioning

confidence: 99%

Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo

Shin

Benali

Luo

et al. 2018

Phys. Rev. Materials

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Zirconia (zirconium dioxide) and hafnia (hafnium dioxide) are binary oxides used in a range of applications. Because zirconium and hafnium are chemically equivalent, they have three similar polymorphs, and it is important to understand the properties and energetics of these polymorphs. However, while density functional theory calculations can get the correct energetic ordering, the energy differences between polymorphs depend very much on the specific density functional theory approach, as do other quantities such as lattice constants and bulk modulus. We have used highly accurate quantum Monte Carlo simulations to model the three zirconia and hafnia polymorphs. We compare our results for structural parameters, bulk modulus, and cohesive energy with results obtained from density functional theory calculations. We also discuss comparisons of our results with existing experimental data, in particular for structural parameters where extrapolation to zero temperature can be attempted. We hope our results of structural parameters as well as for cohesive energy and bulk modulus can serve as benchmarks for density-functional theory based calculations and as a guidance for future experiments.

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On the Zr-Hf System

Abstract: Wet chemical etching studies of Zr and Hf-silicate gate dielectrics

Cited by 56 publications

References 0 publications

The Hafnium-Platinum Phase Diagram

The Hafnium-Platinum Phase Diagram

Microstructural and mechanical characterisation of Fe-14Cr-0.22Hf alloy fabricated by spark plasma sintering

Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo

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