Hostname: page-component-586b7cd67f-tf8b9 Total loading time: 0 Render date: 2024-11-24T06:06:32.492Z Has data issue: false hasContentIssue false
  • English
  • Français

Analysis of Burnup effects and Its Integrity Assessment in the Interim of Irradiation with Molecular Dynamics

Published online by Cambridge University Press:  21 January 2020

Ahli K.D. Willie ,
Hongtao Zhao ,
M. Mustafa Azeem  and
Teplinskaya Svetlana
Ahli K.D. Willie
Affiliation:
Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, Harbin Engineering University, Harbin, 150001, China
Hongtao Zhao*
Affiliation:
Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, Harbin Engineering University, Harbin, 150001, China Institute of Technical Physics, Heilongjiang Academy of Sciences 150086
M. Mustafa Azeem
Affiliation:
Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, Harbin Engineering University, Harbin, 150001, China
Teplinskaya Svetlana
Affiliation:
College of Material Science and Chemical Engineering, Harbin Engineering University, Harbin, 150001, China
*
*e-mail: [email protected]
Get access

Abstract:

Burnups can cause major structural changes in the edge of the fuel rod and a general degradation of the thermal conductivity. In irradiated mixed oxide fuels of UO2, PuO2 with NpO2 as fission products (FP) various chemical states depending on the conditions of the fuel is developed. This work, we firstly applied the MD relation to obtain the thermal conductivity of UO2, PuO2, and (U, Pu) O2 in temperature range of 300–2000 K. Lattice parameter, Burnup and the thermal conductivity were then calculated for specified UO2 and PuO2. This calculation relates the degradation of thermal conductivity with a number of pores and increasing temperature. Finally, the migration energy barrier and the recovery energies of the obstruction type defects were calculated with molecular dynamics simulation.

Keywords

thermal conductivityoxidemolecular
Type
Articles
Information
MRS Advances , Volume 5 , Issue 33-34: Mechanical Behavior and Structural Materials , 2020 , pp. 1799 - 1810
Check for updates
Copyright
Copyright © Materials Research Society 2020

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Ronchi, C., and Hiernaut, J. P.. 2004. “Helium Diffusion in Uranium and Plutonium Oxides.” Journal of Nuclear Materials. https://doi.org/10.1016/j.jnucmat.2003.10.006.CrossRefGoogle Scholar
Lu, Yong, Yang, Yu, Zheng, Fawei, Wang, Bao Tian, and Zhang, Ping. 2013. “Electronic, Mechanical, and Thermodynamic Properties of Americium Dioxide.” Journal of Nuclear Materials. https://doi.org/10.1016/j.jnucmat.2013.06.043.CrossRefGoogle Scholar
Nakajima, Kunihisa, Serizawa, Hiroyuki, Shirasu, Noriko, Haga, Yoshinori, and Arai, Yasuo. 2011. “The Solubility and Diffusion Coefficient of Helium in Uranium Dioxide.” Journal of Nuclear Materials. https://doi.org/10.1016/j.jnucmat.2011.08.045.CrossRefGoogle Scholar
Huang, Li, Wang, Yilin, and Dai, Xi. 2012. “Pressure-Driven Orbital Selective Insulator-to-Metal Transition and Spin-State Crossover in Cubic CoO.” Physical Review B - Condensed Matter and Materials Physics. https://doi.org/10.1103/PhysRevB.85.245110.Google Scholar
Pipon, Y., Raepsaet, C., Roudil, D., and Khodja, H.. 2009. “The Use of NRA to Study Thermal Diffusion of Helium in (U, Pu)O2.” Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. https://doi.org/10.1016/j.nimb.2009.03.025.Google Scholar
Veshchunov, M. S., Dubourg, R., Ozrin, V. D., Shestak, V. E., and Tarasov, V. I.. 2007. “Mechanistic Modelling of Urania Fuel Evolution and Fission Product Migration during 320 Irradiation and Heating.” Journal of Nuclear Materials. 321 https://doi.org/10.1016/j.jnucmat.2007.01.081.Google Scholar
Gauld, I. C., and Mertyurek, U.. 2019. “Validation of BWR Spent Nuclear Fuel Isotopic Predictions with Applications to Burnup Credit.” Nuclear Engineering and Design. https://doi.org/10.1016/j.nucengdes.2019.01.026.Google Scholar
Basak, C. B., Sengupta, A. K., and Kamath, H. S.. 2003. “Classical Molecular Dynamics Simulation of UO2 to Predict Thermophysical Properties.” Journal of Alloys and Compounds. https://doi.org/10.1016/S0925-8388(03)00350-5.CrossRefGoogle Scholar
Jackson, R. A., and Catlow, C. R.A.. 1985. “Trapping and Solution of Fission Xe in UO2. Part 1. Single Gas Atoms and Solution from Underpressurized Bubbles.” Journal of Nuclear Materials. https://doi.org/10.1016/0022-3115(85)90351-4.Google Scholar
Morelon, N. D., Ghaleb, D., Delaye, J. M., and Van Brutzel, L.. 2003. “A New Empirical Potential for Simulating the Formation of Defects and Their Mobility in Uranium Dioxide.”Philosophical Magazine. https://doi.org/10.1080/1478643031000091454.CrossRefGoogle Scholar
Geng, Hua Y., Song, Hong X., Jin, K., Xiang, S. K. , and Wu, Q.. 2011. “First-Principles Study on Oxidation Effects in Uranium Oxides and High-Pressure High-Temperature Behavior of Point Defects in Uranium Dioxide.” Physical Review B - Condensed Matter and Materials Physics. https://doi.org/10.1103/PhysRevB.84.174115.Google Scholar
Nicoll, S., Matzke, Hj, and Catlow, C. R.A.. 1995. “A Computational Study of the Effect of Xe Concentration on the Behaviour of Single Xe Atoms in UO2.” Journal of Nuclear Materials. https://doi.org/10.1016/0022-3115(95)00131-X.CrossRefGoogle Scholar
Govers, K., Lemehov, S., Hou, M., and Verwerft, M.. 2009. “Molecular Dynamics Simulation of Helium and Oxygen Diffusion in UO2±X.” Journal of Nuclear Materials. https://doi.org/10.1016/j.jnucmat.2009.10.043.CrossRefGoogle Scholar
Miekeley, W., and Felix, F. W.. 1972. “Effect of Stoichiometry on Diffusion of Xenon in UO2.” Journal of Nuclear Materials. https://doi.org/10.1016/0022-3115(72)90080-3.CrossRefGoogle Scholar
Nogita, K., and Une, K.. 1995. “Irradiation-Induced Recrystallization in High Burnup UO2 Fuel.” Journal of Nuclear Materials. https://doi.org/10.1016/0022-3115(95)00123-9.CrossRefGoogle Scholar
Rondinella, Vincenzo V., and Thierry, Wiss. 2010. “The High Burn-up Structure in Nuclear Fuel.” Materials Today. https://doi.org/10.1016/S1369-7021(10)70221-2.Google Scholar
Yamada, Kazuhiro, Kurosaki, Ken, Uno, Msayoshi, and Yamanaka, Shinsuke. 2000. “Evaluation of Thermal Properties of Uranium Dioxide by Molecular Dynamics.” Journal of Alloys and Compounds. https://doi.org/10.1016/S0925-8388(00)00806-9.Google Scholar
Arima, Tatsumi, Yamasaki, Sho, Inagaki, Yaohiro, and Idemitsu, Kazuya. 2005. “Evaluation of Thermal Properties of UO2 and PuO2 by Equilibrium Molecular Dynamics Simulations from 300 to 2000 K.” Journal of Alloys and Compounds. https://doi.org/10.1016/j.jallcom.2005.04.003.CrossRefGoogle Scholar
Arima, Tatsumi, Yamasaki, Sho, Inagaki, Yaohiro, and Idemitsu, Kazuya. 2006. “Evaluation of Thermal Conductivity of Hypostoichiometric (U, Pu)O2-x Solid Solution by Molecular Dynamics Simulation at Temperatures up to 2000 K.” Journal of Alloys and Compounds. https://doi.org/10.1016/j.jallcom.2005.08.003.CrossRefGoogle Scholar
Nichenko, S., and Staicu, D.. 2014. “Thermal Conductivity of Porous UO2: Molecular Dynamics Study.” Journal of Nuclear Materials. 299 https://doi.org/10.1016/j.jnucmat.2014.08.009.Google Scholar
Vazhappilly, Tijo, Pathak, Arup Kumar. 2019. “Theoretical study on the mechanical and thermal properties of uranium dioxide doped with lanthanide fission products.” Journal of Nuclear Materials . 519 https://doi.org/10.1016/j.jnucmat.2019.03.032CrossRefGoogle Scholar
Mingjie, Wan, Zhang, Li, Du, Jiguang, Huang, Duohui, Wang, Lili, and Jiang, Gang. 2012. “The MD Simulation of Thermal Properties of Plutonium Dioxide.” Physica B: Condensed Matter. https://doi.org/10.1016/j.physb.2012.08.010.CrossRefGoogle Scholar
Carbajo, Juan J, Yoder, Gradyon L, Popov, Sergey G, Ivanov, Victor K. 2001. “A review of the thermophysical properties of MOX and UO2 fuels.” Journal of Nuclear Materials, 299. https://doi.org/10.1016/S0022-3115(01)00692-4CrossRefGoogle Scholar
Ma, Li, and Ray, Asok K.. 2012. “Formation Energies and Swelling of Uranium Dioxide by Point Defects.” Physics Letters, Section A: General, Atomic and Solid State Physics. https://doi.org/10.1016/j.physleta.2012.03.017.Google Scholar
Morimoto, Kyoichi, Kato, Masato, Ogasawara, Masahiro, Kashimura, Motoaki, and Abe, Tomoyuki. 2008. “Thermal Conductivities of (U, Pu, Am)O2 Solid Solutions.” Journal of Alloys and Compounds. https://doi.org/10.1016/j.jallcom.2006.12.159.CrossRefGoogle Scholar
Schelling, Patrick K., Phillpot, Simon R., and Keblinski, Pawel. 2002. “Comparison of Atomic-Level Simulation Methods for Computing Thermal Conductivity.” Physical Review B - Condensed Matter and Materials Physics. https://doi.org/10.1103/PhysRevB.65.144306.Google Scholar
Yamanaka, Shinsuke, Kurosaki, Ken, Katayama, Masahito, Adachi, Jun, Uno, Masayoshi, Kuroishi, Takeshi, Yamasaki, Masatoshi. 2009. Thermal and mechanical properties of (U,Er)O2 .” Journal of Nuclear Materials . 389. https://doi.org/10.1016/j.jnucmat.2009.01.016CrossRefGoogle Scholar
Liu, X.-Y., Cooper, M. W. D., McClellan, K. J., Lashley, J. C., Byler, D. D., Bell, B. D. C., Grimes, R. W., Stanek, C. R., and Andersson, D. A.. 2016. “Molecular Dynamics Simulation of Thermal Transport in UO2 Containing Uranium, Oxygen, and Fission-product Defects.” Phys. Rev. Applied 6, 044015CrossRefGoogle Scholar
Plimpton, S. 1995. “Fast Parallel Algorithms for Short – Range Molecular Dynamics.” Journal of Computational Physics 117 (June 1994): 1–19. https://doi.org/10.1006/jcph.1995.1039.CrossRefGoogle Scholar
Biersack, J.P., and Ziegler, J.F.. 1985. “The Stopping and Range of Ions in Solids.” Ion Implantation Techniques Springer Series in Electrophysics Volume 10, no. Volume 1: 122–56. https://doi.org/10.1007/978-3-642-68779-2_5.Google Scholar
IAEA. 2006. “Thermophysical Properties Database of Materials for Light Water Reactors and Heavy Water Reactors.” IAEA-TECDOC.Google Scholar
Schelling, Patrick K., Phillpot, Simon R., Keblinski, P., “Comparison of atomic-level simulation methods for computing thermal conductivity.” Phys. Rev. B 65 (2002) 144306. https://doi.org/10.1103/PhysRevB.65.144306CrossRefGoogle Scholar
Fink, J.K., 2000. “Thermophysical properties of uranium dioxide.” Journal of Nuclear Materials. 279; 1-18.CrossRefGoogle Scholar
Harding, J.H., Martin, D.G. 1989. “A recommendation for the thermal conductivity of UO2.” Journal of Nuclear Materials. 166; 223-226. https://doi.org/10.1016/0022-3115(89)90218-3CrossRefGoogle Scholar
Kurosaki, Ken, Adachi, Jun, Katayama, Masahito, Osaka, Masahiko, Tanaka, Kenya, Uno, Masayoshi, and Yamanaka, Shinsuke. 2006. “Molecular Dynamics Studies of Americium-275 Containing Mixed Oxide Fuels.” Journal of Nuclear Science and Technology. https://doi.org/10.1080/18811248.2006.9711215.CrossRefGoogle Scholar