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| 2. |
- Jovari, Pal, et al.
(författare)
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Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations
- 2007
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 76:5, s. 054208-
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Tidskriftsartikel (refereegranskat)abstract
- Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found in crystalline Mg2Cu. The Cu-Y coordination number is 1.1 +/- 0.2, and the Cu-Y distance is similar to 4% shorter than the sum of atomic radii, suggesting that attraction between Cu and Y plays an important role in stabilizing the glassy state. Thermal stability and structure evolution upon annealing were also studied by differential scanning calorimetry and in situ x-ray powder diffraction. The alloy shows a glass transition and three crystallization events, the first and dominant one at 456 K corresponding to eutectic crystallization of at least three phases: Mg2Cu and most likely cubic MgY and CuMgY.
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| 3. |
- Kaban, I., et al.
(författare)
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Experimental and RMC simulation study of liquid Cu6Sn5
- 2007
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Ingår i: Journal of Non-Crystalline Solids. - : Elsevier BV. - 0022-3093 .- 1873-4812. ; 353:32-40, s. 3027-3031
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Tidskriftsartikel (refereegranskat)abstract
- The atomic structure of liquid Cu6Sn5 alloy at 640 degrees C has been investigated with neutron and X-ray diffraction. The experimental structure factors were used to perform computer modeling with the reverse Monte Carlo method. Three different series of simulations were carried out. It has been established that the partial structure factors modeled by combining the experimental data of the two independent measurements (XRD and ND) are reliable, while those modeled with only one set of the experimental data (XRD or ND) exhibit some non-physical features.
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| 4. |
- Sorby, M. H., et al.
(författare)
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Reverse Monte Carlo investigation of the temperature dependent deuterium distribution in ZrCr2D4
- 2008
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 457:1-2, s. 225-232
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Tidskriftsartikel (refereegranskat)abstract
- Short-range correlations in ZrCr2D4 have been investigated with total neutron scattering and Reverse Monte Carlo (RMC) modelling. Data were collected for the deuteride with a disordered deuterium lattice at 298 K, a partly ordered deuterium lattice at 248 K and a fully ordered deuterium lattice at 150 K. Short-range order (SRO) prevents occupation of interstitial sites closer than 2 angstrom from deuterium atoms in the disordered and partly ordered samples in agreement with the Switendick criterion and earlier investigations. The deuterium configurations at 298 and 248 K resemble those found in the fully ordered phase at length scales up to about 4 angstrom. There is no appreciable difference in the short-range deuterium correlations or the extent of the SRO at 248 K as compared to at 298 K. The differences and similarities with the previously investigated compound VD0.8 are discussed.
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| 5. |
- Yartys, V. A., et al.
(författare)
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Crystal and magnetic structure of TbNiSnD studied by neutron powder diffraction
- 2007
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Ingår i: Journal of Magnetism and Magnetic Materials. - : Elsevier BV. - 0304-8853 .- 1873-4766. ; 311:2, s. 639-643
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Tidskriftsartikel (refereegranskat)abstract
- The crystal and magnetic structure of TbNiSnD has been studied by neutron powder diffraction. The deuteride crystallizes with the filled TiNiSi type structure (sp. gr. Pnma; a=7.0354(1); b=4.20662(9); c=8.1808(2) Å at 293 K; a=7.008(1); b=4.1954(6); c=8.153(1) Å at 2 K) and is canted ferromagnetic below 10 K. The deuterium atoms occupy the tetrahedral Tb3Ni sites. The Tb atoms carry a magnetic moment of 6.6(1) μB /Tb. They order antiferromagnetically along the a-axis and ferromagnetically along the c-axis. No significant magnetic moment on the Ni atoms has been observed by neutron diffraction. Insertion of deuterium in TbNiSn induces both a change of the magnetic structure and a reduction of the Tb magnitude of the magnetic moment.
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