Korean Chemical Engineering Research, Vol.57, No.3, 368-371, 2019
First-Principles Study on Thermodynamic Stability of UO2 with He Gas Incorporation via Alpha-Decay
Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of UO2, such as, bulk, shear and Young’s moduli and Poisson’s ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay (U1-xThxO2) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boundaries of the U1-xThxO2 grain. Helium preferentially resides at the grain boundaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.
[References]
Hogselius P, Energy Policy , 37 (1), 254, 2009
Bunn M, Holdren JP, Fetter S, van Der Zwaan B, Nucl. Technol. , 150 (3), 209, 2005
Ewing R, Weber RW, Clinard F, Prog. Nucl. Energy , 29 , 63, 1995
Gryaznov D, Heifets E, Kotomin E, Phys. Chem. Chem. Phys. , 11 (33), 7241, 2009
Yun Y, Eriksson O, Oppeneer PM, J. Nucl. Mater. , 385 (3), 510, 2009
Liu XY, Andersson D, J. Nucl. Mater. , 462 , 8, 2015
Govers K, Lemehov S, Hou M, Verwerft M, J. Nucl. Mater. , 395 , 131, 2009
Dabrowski, Ludwik, Marcin S, J. Alloy. Compd. , 615 , 598, 2014
Liu XY, Andersson D, J. Nucl. Mater. , 498 , 373, 2018
Thompson AE, Wolverton C, Phys. Rev. B , 84 (13), 134111, 2011
Lederer C, Hollander J, Perlman S, “Table of Isotopes 6th edn,” Wiley, New York, 5-6(1968).
Olander DR, “Fundamental Aspects of Nuclear Reactor Fuel Elements,” California Univ., Berkeley (USA). Dept. of Nuclear Engineering, 1976.
Ewing RC, Nat. Mater. , 14 (3), 252, 2015
Nerikar PV, Rudman K, Desai TG, Byler D, Unal C, McClellan KJ, Phillpot SR, Sinnott SB, Peralta P, Uberuaga BP, Stanek CR, J. Am. Ceram. Soc. , 94 (6), 1893, 2011
Kresse G, Furthmuller J, Comput. Mater. Sci. , 6 (1), 15, 1996
Perdew JP, Burke K, Ernzerhof M, Phys. Rev. Lett. , 77 (18), 3865, 1996
Perdew JP, Burke K, Int. J. Quantum. Chem. , 57 (3), 309, 1996
Blochl PE, Phys. Rev. B , 50 (24), 17953, 1994
Brincat NA, Molinari M, Parker SC, Allen GC, Storr MT, J. Nucl. Mater. , 456 , 329, 2015
Dorado B, Freyss M, Amadon B, Bertolus M, Jomard G, Garcia P, J. Phys. Condens. Matter , 25 (33), 333201, 2013
Meredig B, Thompson A, Hansen HA, Wolverton C, Van de Walle A, Phys. Rev. B , 82 (19), 195128, 2010
Idiri M, Bihan TL, Heathman S, Rebizant J, Phys. Rev. B , 70 , 014113, 2004
Yun YS, Oppeneer PM, Kim H, Park K, Acta Metall. , 57 (5), 1655, 2009
Yun Y, Eriksson O, Oppeneer PM, J. Nucl. Mater. , 385 (1), 72, 2009
Sanati M, Albers RC, Lookman T, Saxena A, Phys. Rev. B , 84 , 014116, 2011
Sisodia P, Dhoble A, Verma M, Phys. Status. Solidi. B , 163 (2), 345, 1991
Klein CA, Cardinale GF, Diam. Relat. Mater , 2 (5-7), 918, 1993
Munro RG, NIST. No. NIST Interagency/Internal Report (NISTIR)-6853(2002).
Kanchana V, Vaitheeswaran G, Svane A, Delin A, J. Phys. Condens. Matter , 18 (42), 9615, 2006
Jang BG, Hyun SI, Kim MH, Kaviany M, Shim JH, EPL , 112 (1), 17012, 2015
Fritz I, J. Appl. Phys. , 47 (10), 4353, 1976
Macedo P, Capps W, Wachtman J, J. Am. Ceram. Soc. , 47 (12), 651, 1964
이전 논문 다음 논문
Result Search