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1.
  • Angenendt, Knut, et al. (författare)
  • Ionic liquid structures from large DFT calculations using mindless configurations
  • 2010
  • Ingår i: Journal of Physical Chemistry C. - 1932-7447. ; 114, s. 20577-20582
  • Tidskriftsartikel (refereegranskat)abstract
    • Three different popular imidazolium based ionic liquids (ILs); EMI-BF4, EMI-PF6, and EMI-TFSI, have been modeled by DFT calculations (B3LYP/6-311+G*) using large, up to 130 atom cluster models, for a better understanding of the structure and ion ion interactions in these ILs and ILs in general. Particular emphasis has been put on the role of appropriate starting structures and how the present large models differ from the ion-pair models of ILs generally used. The system size normalized ion ion interaction energies are shown to converge rapidly, and conformational equilibria and higher order properties like IR spectra are shown to be valuable as quality criteria. The explicit inclusion of an IL environment by the large cluster approach is also compared to using an implicit, continuum, strategy via SCRF C-PCM calculations.
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3.
  • Carini, Giovanni, et al. (författare)
  • Hypersonic attenuation in cesium borate glasses: Relaxation and anharmonicity
  • 2009
  • Ingår i: MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING. 15th International Conference on Internal Friction and Mechanical Spectroscopy (ICIFMS-15). Perugia, ITALY. JUL 20-25, 2008. - 0921-5093. ; 521-22, s. 247-250
  • Konferensbidrag (refereegranskat)abstract
    • The internal friction and the sound velocity in a cesium borate glass (Cs(2)O)(0.14)(B(2)O(3))(0.86) were measured at ultrasonic and hypersonic frequencies by Brillouin scattering measurements over the temperature range between 15 and 300 K. The analysis of the experimental results show that, in addition to thermally activated local motions of structural defects, the vibrational anharmonicity contributes substantially to the temperatures dependences of both the hypersonic loss and velocity. It has been also proved that above 150 K the vibrational anharmonicity appears to be governed by the Akhiezer mechanism of phonon viscosity.
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4.
  • Chernikova, Dina, 1982-, et al. (författare)
  • Testing a direct method for evaluating the concentration of boron in a fuel pool using scintillation detectors, and a 252Cf and an 241Am-Be source
  • 2013
  • Ingår i: Proceeding of ESARDA meeting 2013.
  • Konferensbidrag (refereegranskat)abstract
    • The present investigations are aimed at the development and testing of a direct non-destructive method for evaluating the concentration of boron in a fuel pool using scintillation detectors. The method uses a modified ratio between two gamma lines with energy of 480 keV and 2.23 MeV. These lines belong to the capture of a thermal neutron in boron and hydrogen, respectively. The relation between them can reveal the concentration of boron in the fuel pond. The method proposed was tested in a laboratory experiment with a 252Cf and an 241Am-Be source. EJ-309 liquid scintillation detectors were used for measurements of gamma spectra. The concentration of boron in water varied from 1550 ppm to 4200 ppm. The optimization and test studies were performed via MCNPX simulations. The results of these tests are provided in the present paper and they show that the boron content in water can be determined through using the characteristics of gamma lines with energy of 480 keV and 2.23 MeV.
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7.
  • Engström, Olof, 1943- (författare)
  • Limitations in future high-k materials
  • 2009
  • Ingår i: NANOSIL Workshop at ESSDERC, Athens, Sept. 14 - 18, 2009 (Invited).
  • Konferensbidrag (refereegranskat)
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8.
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9.
  • Insulander Björk, Klara, 1982- (författare)
  • Thorium-plutonium fuel for long operating cycles in PWRs - preliminary calculations
  • 2012
  • Ingår i: Proceedings of the Thorium and Rare Earths Conference.
  • Konferensbidrag (övrigt vetenskapligt)abstract
    • Preliminary calculations have been carried out to investigate the possibility of extending oper- ating cycle length in PWRs by use of Thorium-Plutonium mixed oxide fuel (Th-MOX). The calculations have been carried out in two dimensions, using the fuel assembly burnup simula- tion program CASMO-5. The reload scheme and the operating parameters are modelled on the Swedish PWR Ringhals 3 and a normal UOX fuel assembly designed for this reactor has been used as a reference. Results show that an extension of the currently employed 12-month oper- ating cycle length is possible, either with a burnable absorber or with a modified fuel assembly design, assuming the same 3-batch reload scheme as currently used in Ringhals 3. The initial k∞ of the new Th-MOX fuel design was designed not to exceed that of the refer- ence UOX fuel. The power peaking factor is initially significantly lower than the reference, but slightly higher later in the life of the fuel assembly. All reactivity coefficients are within acceptable range. The worth of control rods and soluble boron are lower than the reference, as expected for a plutonium-bearing fuel.
10.
  • Jahanmiri, Mohsen, 1953- (författare)
  • Particle Image Velocimetry: Fundamentals and Its Applications
  • 2011
  • Rapport (övrigt vetenskapligt)abstract
    • Particle image velocimetry (PIV) is the newest entrant to the field of fluid flow measurement and provides instantaneous velocity fields over global domains. As the name suggests, PIV records the position over time of small tracer particles introduced into the flow to extract the local fluid velocity. Thus, PIV represents a quantitative extension of the qualitative flow visualization techniques that have been practised for several decades. This paper gives a brief background on evolution of PIV and then its principle of operation, main features and basic elements are explaind. Errors in PIV occurring while measurements are discussed and, the state-of-the-art of the technique today is overviewed and illustrated by reference to recent, seminal publications describing both the development and application of PIV.
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