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Abstrakty
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.
Słowa kluczowe
Czasopismo
Rocznik
Tom
Strony
83--89
Opis fizyczny
Bibliogr. 9 poz., rys.
Twórcy
autor
- National Centre for Nuclear Research, 7 Andrzeja Sołtana Str., 05-400 Otwock/Świerk, Poland, Tel.: +48 22 273 1055
autor
- National Centre for Nuclear Research, 7 Andrzeja Sołtana Str., 05-400 Otwock/Świerk, Poland, Tel.: +48 22 273 1055
Bibliografia
- 1. Bellamy, R. G., & Rich, J. B. (1969). Grain boundary gas release and swelling in high burn-up uranium dioxide. J. Nucl. Mater., 33(1), 64–76.
- 2. Hargreaves, R., & Collins, D. M. (1976). A quantitative model for fi ssion gas release and swelling in irradiated uranium dioxide. J. Br. Nucl. Energy Soc., 15, 311–318.
- 3. Ito, K., Iwasaki, R., & Yoshihiko, I. (1985). Finite element model of fi ssion gas release from UO2 fuel. J. Nucl. Sci. Technol., 22(2), 129–138.
- 4. Mac Iwan, J. R., & Stevens, W. H. (1964). Xenon diffusion in UO2. J. Nucl. Mater., 11(1), 77–93.
- 5. Nakajima, T., & Saito, H. (1987). A comparison between fi ssion gas release data and FEMAXI-IV. Nucl. Eng. Des., 101(3), 267–279.
- 6. Ray, I. L. F., Thiele, H., & Matzke, H. (1992). Transmission electron microscopy study of fi ssion product behaviour in high burnup UO2. J. Nucl. Mater., 188, 90–95.
- 7. Rest, J., & Cronenberg, W. A. (1987). Modeling the behavior of Xe, I, Cs, Te, Ba and Sr in solid and liquefi ed fuel during severe accidents. J. Nucl. Mater., 150(2), 203–225.
- 8. Szuta, M. (1994). The diffusion coeffi cient of fi ssion-product rare gases in single crystal uranium dioxide during irradiation. J. Nucl. Mater., 210, 178–186.
- 9. White, R. J., & Tucker, M. O. (1983). A new fi ssion-gas release model. J. Nucl. Mater., 118, 1–38.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-67678437-3bbc-40aa-aeee-9d35f8e5b8bc