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  • 1.
    Ahuja, Rajeev
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Luo, Wei
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    Johansson, Börje
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
    High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy2006In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 26, no 4, p. 377-381Article in journal (Refereed)
    Abstract [en]

    The high-pressure behaviour of Cm and Am0.5Cm0.5 binary alloy is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions, which are observed in recent experiment performed by Heathman et al. [S. Heathman, R.G. Haire, T. Le Bihan et al., Science 309 110 (2005)] and Lindbaum et al. [A. Lindbaum, S. Heathman, T. Le Bihan et al., J. Phys: Condens. Matter 15 S2297 (2003)]. Calculated transition pressures are in reasonable agreement with the experimental values. Calculations performed for an antiferromagnetic state are essential to reproduce the stability of Cm-III phase.

  • 2. Andrault, D
    et al.
    Morard, G
    Bolfan-Casanova, N
    Ohtaka, O
    Fukui, H
    Arima, H
    Guignot, N
    Funakoshi, K
    Lazor, P
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Mezouar, M.
    Study of partial melting at high-pressure using in situ X-ray diffraction2006In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 26, no 3, p. 267-276Article in journal (Refereed)
    Abstract [en]

    The high-pressure melting behavior of different iron alloys was investigated using the classical synchrotron-based in situ X-ray diffraction techniques. As they offer specific advantages and disadvantages, both energy-dispersive (EDX) and angle-dispersive (ADX) X-ray diffraction methods were performed at the BL04B1 beamline of SPring8 (Japan) and at the ID27-30 beamline of the ESRF (France), respectively. High-pressure vessels and pressure ranges investigated include the Paris- Edinburgh press from 2 to 17GPa, the SPEED-1500 multi-anvil press from 10 to 27 GPa, and the laser-heated diamond anvil cell from 15 to 60 GPa. The onset of melting (at the solidus or eutectic temperature) can be easily detected using EDX because the grains start to rotate relative to the X-ray beam, which provokes rapid and drastic changes with time of the peak growth rate. Then, the degree of melting can be determined, using both EDX and ADX, from the intensity of diffuse X-ray scattering characteristic of the liquid phase. This diffuse contribution can be easily differentiated from the Compton diffusion of the pressure medium because they have different shapes in the diffraction patterns. Information about the composition and/or about the structure of the liquid phase can then be extracted from the shape of the diffuse X-ray scattering.

  • 3.
    Konopkova, Zuzana
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Lazor, Peter
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Struzhkin, V.V.
    Goncharov, A.F.
    Thermal conductivity of hcp iron at high pressure and temperature2011In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 31, no 1, p. 228-236Article in journal (Refereed)
    Abstract [en]

    Results of steady-state heat transfer experiments on iron in laser-heated diamond anvil cell, combined with numerical simulation using finite-element method are reported. Thermal boundary conditions, dimensions of sample assemblage, heating-laser beam characteristics and relevant optical properties have been well defined in the course of experiments. The thermal conductivity of the polycrystalline hexagonal-iron foil has been determined up to pressure 70GPa and temperature 2000K. At these conditions, the conductivity value of 32 ± 7W/mK was found. Sources of errors arising from uncertainties in input parameters and applied experimental procedures are discussed. Considering results of earlier preferred-orientation studies in diamond anvil cell, an averaging effect of polycrystalline texture on the intrinsic anisotropy is assumed. The obtained conductivity is interpreted as an effective value, falling in between the upper and lower bounds on the average conductivity of a random aggregate of uniaxial crystals.

  • 4.
    Liu, Lei
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Mineralogy Petrology and Tectonics.
    Lazor, Peter
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Mineralogy Petrology and Tectonics.
    Li, Xiaodong
    Lattice distortion-induced sluggish phasetransition in CoCrFeNixAl1-x (x = 0.5, 0.75) highentropyalloys at high pressures2019In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 39, no 4Article in journal (Refereed)
  • 5. Mattesini, M
    et al.
    Buforn, E
    Udias, A
    Vitos, Levente
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
    Ahuja, Rajeev
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
    An ab initio study of S-substituted iron-nickel-silicon alloy at the Earth's inner core pressure2008In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 28, no 4, p. 437-441Article in journal (Refereed)
    Abstract [en]

    The thermodynamic stability of S-substituting Si into a bcc Fe0.80Ni0.05SxSi(0.15-x) random alloy, with x=0.025 n (n=0-- 4), was investigated up to 350GPa by using an ab initio density functional method based on the full charge density-exact muffin-tin orbital-coherent potential approximation scheme. From the analysis of the calculated H values, we suggest that the FeNiSSi stoichiometry with zero sulphur content always behaves as the most stable system along the whole pressure range of 0-350GPa. As a general tendency, we found that the alloys with 6.8-8.1wt.% Si are energetically more stable than those with lower silicon content, thus supporting the dissolution mechanism for the Earth's inner core compositional model.

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