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    Tytuł:
    Influence of Thin Surface Layer on Fission Gas Release from Uranium Dioxide Single Crystal during Irradiation
    Autorzy:
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1945277.pdf
    Data publikacji:
    1996-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    25.85.Ec
    66.30.Lw
    Opis:
    In the present paper it is assumed that in the fluence range of 4×10$\text{}^{19}$ - 0.5×10$\text{}^{21}$ fissions/cm$\text{}^{3}$ the main contribution to the fission gas release from an uranium dioxide single crystal is from the bubble traps by knock-out process. An analysis of bubble distribution in the single crystal for different temperatures shows that some experimental peculiarities of the fission gas release during irradiation arise from different conditions of the thin surface layer and the interior of the considered solid. The thin surface layer is assigned by the fission fragment range.
    Źródło:
    Acta Physica Polonica A; 1996, 89, 3; 451-455
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Bonding xenon and krypton on the surface of uranium dioxide single crystal
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/147310.pdf
    Data publikacji:
    2014
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    noble gases
    uranium dioxide
    chemical bond
    DFT
    GGA
    Opis:
    We present density functional theory (DFT) calculation results of krypton and xenon atoms interaction on the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalised gradient approximation (GGA) was applied using the ABINIT program package. To compute the unit cell parameters, the 25 atom super-cell was chosen. It has been revealed that close to the surface of a potential well is formed for xenon and krypton atom due to its interaction with the atoms of oxygen and uranium. Depth and shape of the well is the subject of ab initio calculations in adiabatic approximation. The calculations were performed both for the case of oxygenic and metallic surfaces. It has been shown that the potential well for the oxygenic surface is deeper than for the metallic surface. The thermal stability of immobilising the atoms of krypton and xenon in the potential wells were evaluated. The results are shown in graphs.
    Źródło:
    Nukleonika; 2014, 59, 3; 83-89
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Local structure and cohesive properties of mixed thorium and uranium dioxides calculated by "ab initio" method
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/147874.pdf
    Data publikacji:
    2012
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    uranium
    thorium dioxide
    DFT+U
    LDA
    GGA
    local structure
    cohesive properties
    bulk modulus
    Opis:
    Density functional theory (DFT) results of calculations of the mixed thorium and uranium dioxide Th1-xUxO2 for the following mole ratio x = 0, 0.25, 0.75 and 1 are presented and discussed. "Ab initio" calculations were performed using the Wien2k program package. To compute the unit cell parameters the 12 atom super-cell were chosen. The lattice parameters were calculated through minimization of the total energy by the change of lattice parameters and atom displacement within the unit cell. Calculations were performed for five different exchange energy approximations EXC with and without corrective orbital potential U, and obtained lattice constants are presented graphically and compared with experimental data. It is established that the initially assumed oxygen location within the unit cell plus or minus 0.25 of the mixed compounds are not their equilibrium positions. The oxygen atoms within the unit cell undergo dislocation in the (111) direction. So, the distances oxygen-uranium are smaller than the distances oxygen-thorium. The change of local structure is presented graphically and appropriate parameters values are given in Table. The bulk modulus and the cohesive properties are also counted and shown graphically.
    Źródło:
    Nukleonika; 2012, 57, 1; 101-107
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Xe and Kr bonding abilities in the single crystal oxygen vacancies of the uranium based fuel
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/147880.pdf
    Data publikacji:
    2012
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    noble gases
    chemical bond
    UO2 single crystal
    valence electron density distribution
    atomic force constants
    bond energy
    crystal lattice
    Opis:
    The valence electron density distribution of krypton and xenon located in the oxygen vacancy and in its nearest neighbourhood was performed by application of the method “ab initio”. The results are presented on the graphs. The bonding energies of krypton and xenon in the uranium dioxide crystal lattice were calculated. It was found also that krypton and xenon cause a local increase of UO1.75Xe0.25 and UO1.75Kr0.25 unit cell and cause its deformation what is presented in tables. The force constants of krypton and xenon were also assigned what gives evidence about the strong bond of krypton and xenon with the UO1.75Xe0.25 and UO1.75Kr0.25 single crystal lattice. Obtained results are compared with the analogical studies of He atom incorporation into UO2 single crystal lattice.
    Źródło:
    Nukleonika; 2012, 57, 1; 95-100
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Formation of Nanostructures in UO$\text{}_{2}$ Fuel at High Burn-ups
    Autorzy:
    Szuta, M.
    Bocar, I.
    Powiązania:
    https://bibliotekanauki.pl/articles/2035481.pdf
    Data publikacji:
    2002-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    25.85.Ec
    66.30.Lw
    Opis:
    In the present paper it is assumed that above a limiting value of fission fluency (burn-up) a more intensive process of irradiation induced chemical interaction occurs. A significant part of fission gas product is thus expected to be chemically bounded in the matrix of UO$\text{}_{2}$ fuel. The fission gas atoms substituting, for example, uranium atoms in the crystallographic lattice can form weak facets. At a certain saturation condition, division of the grains can occur at the weak facets and the increase in fission-gas-products release may be expected. The fact that the process of grain division for high burn-ups (70-80 MWd/kgU) forms an extremely fine structure up to a temperature as high as 1100$\text{}^{º}$C and simultaneously the observed decrease in fission gas concentration in the fuel supports this concept. The analysis of fission gas concentration change due to the formation of nanostructures in UO$\text{}_{2}$ fuel at high burn-ups in terms of total surface area change in a function of burn-up and knock-out process is presented.
    Źródło:
    Acta Physica Polonica A; 2002, 102, 2; 207-213
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Diffusion of helium in the perfect uranium and thorium dioxide single crystals
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/147700.pdf
    Data publikacji:
    2013
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    uranium
    thorium dioxide
    diffusion
    tunneling
    DFT+U
    generalized gradient approximation (GGA)
    potential barrier
    incorporated helium
    Opis:
    We present quantum-mechanical evaluation of helium diffusion coefficient in the crystalline UO2 and ThO2. Parameters assignment of Schrödinger’s equation were done using the crystal field potentials which were obtained applying the density functional theory (DFT). “Ab initio” calculations were performed using the Wien2k program package. To compute the unit cell parameters the 13 atom super-cell was chosen. Applying two-site model we evaluated the time for an over-barrier jump and diffusion of interstitial He. The obtained values for diffusion coefficient are compared with the experimentally obtained values and with the theoretical values of other authors. In addition, it is simultaneously shown that helium diffusion in these materials is a quantum diffusion.
    Źródło:
    Nukleonika; 2013, 58, 2; 295-300
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    „Ab initio” study of helium atoms immobilization in UO2 crystals
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/146654.pdf
    Data publikacji:
    2012
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    uranium
    dioxide
    DFT+U
    LDA
    GGA
    ABINIT
    over-barrier jumps
    incorporated helium
    harmonic oscillator
    Opis:
    We present density functional theory (DFT) calculation results concerning the uranium dioxide crystals with a helium atom incorporated in the octahedral interstitial position. "Ab initio" calculations were performed using the Wien2k program package. For comparison, a pseudo-potential approach in the generalized gradient approximation was applied using the ABINIT program package. To compute the unit cell parameters 13 atom super-cell was chosen. Parameters of the potential barrier, which the helium atom has to overcome while jumping to the next octahedral interstitial position, were calculated by the help of both the program packages. The results, obtained using two different program packages, are shown in the table and presented graphically. For the so described parameters, the quantum mechanical movement of the helium atom around the equilibrium position is considered. The parameters of Schrödinger's equation are collected in Table 2, while the results of mean square deviation and thermal occupation of energetic levels are presented in a graph. It is established that the helium atoms are located (with an accuracy of several percent of lattice constant) nearby the equilibrium position and form a local bound state. Applying a two site-model, we evaluated the time for an over-barrier jump. Graphically presented results show that the helium atom over-barrier jump is not possible even for temperatures as high as 1200 K. Influence of potential barrier height on the jump time was also considered.
    Źródło:
    Nukleonika; 2012, 57, 3; 337-343
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Bonding xenon on the surface of uranium dioxide single crystal
    Autorzy:
    Dąbrowski, L.
    Szuta, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/147186.pdf
    Data publikacji:
    2013
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    noble gases
    uranium dioxide
    chemical bond
    density functional theory (DFT)
    generalized gradient approximation (GGA)
    Opis:
    We present density functional theory (DFT) calculation results of xenon atom interaction with the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalized gradient approximation (GGA) was applied using the ABINIT program package. It has been revealed that close to the surface a potential well is formed for xenon atom due to its interaction with the atoms of oxygen and uranium. Depth and shape of the well is the subject of “ab initio” calculations. The calculations were performed both for the case of oxygenic and metallic surfaces. It has been shown, that the potential well for the oxygenic surface is deeper than for the metallic surface.
    Źródło:
    Nukleonika; 2013, 58, 4; 453-458
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Modification of Recrystallization Temperature of Uranium Dioxide in Function of Burn-Up and Its Impact on Fission Gas Release
    Autorzy:
    Szuta, M.
    El-Koliel, M. S.
    Powiązania:
    https://bibliotekanauki.pl/articles/2011009.pdf
    Data publikacji:
    1999-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    25.85.Ec
    66.30.Lw
    Opis:
    In the present paper it is assumed that the recrystallization temperature of uranium dioxide decreases with burn-up. Two opposing effects of enhancement and inhibition of irradiation damage introduced by fission effect on grain growth are described. Mathematical model of fission gas release from the UO$\text{}_{2}$ fuel affected by grain growth is presented. Theoretical results are compared with the experimental data.
    Źródło:
    Acta Physica Polonica A; 1999, 96, 1; 143-151
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Np-237 incineration study in various beams in ADS setup QUINTA
    Autorzy:
    Kilim, S.
    Strugalska-Gola, E.
    Szuta, M.
    Bielewicz, M.
    Tyutyunnikov, S. I.
    Furman, W. I.
    Adam, J.
    Stegailov, V. I.
    Powiązania:
    https://bibliotekanauki.pl/articles/146295.pdf
    Data publikacji:
    2018
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    Np-237
    accelerator-driven system
    ADS
    gamma-ray spectrometry
    fission
    neutron capture
    Opis:
    Neptunium-237 samples were irradiated in a spallation neutron fi eld produced in accelerator-driven system (ADS) setup QUINTA. Five experiments were carried out on the accelerators at the JINR in Dubna – one in carbon (C6+), three in deuteron, and one in a proton beam. The energy in carbon was 24 GeV, in deuteron 2, 4 and 8 GeV, respectively, and 660 MeV in the proton beam. The incineration study method was based on gamma-ray spectrometry. During the analysis of the spectra several fi ssion products and one actinide were identifi ed. Fission product activities yielded the number of fi ssions. The actinide (Np-238), a result of neutron capture by Np-237, yielded the number of captures. The main goal of this work was to fi nd out if and how the incineration rate depended on parameters of the accelerator beam.
    Źródło:
    Nukleonika; 2018, 63, 1; 17-22
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-10 z 10

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