Mechanistic nuclear fuel performance modeling of uranium nitride
Source abstract
Abstract
Uranium mononitride (UN) is a nuclear fuel candidate for advanced reactor designs and an alternative being considered for light water reactors due to its higher thermal conductivity and uranium density than UO 2. As with any nuclear fuel, swelling and fission gas release are important factors for safety, while also being some of the hardest phenomena to predict with a high degree of confidence. Getting a grasp on the gas swelling behavior and release is crucial to lower the barrier for UN utilization. An accelerated swelling rate at high temperatures observed experimentally, sometimes referred to as “breakaway swelling,” further complicates the prediction of fuel performance of UN. A mechanistic model has been developed using a multiscale approach to describe the intragranular and intergranular fission gas behavior. Lower-length-scale calculations have been employed to inform models of the gas and self-diffusion behavior, resolution rate, and bubble shape. Leveraging previous work on high burnup UO 2, two populations of intragranular bubbles are considered; small bulk bubbles and larger bubbles located along dislocations. The dislocation bubbles were found to be crucial to the overall swelling behavior, and the breakaway swelling transition was associated with the transition in the gas atom diffusion mechanism from an irradiation-induced athermal diffusion regime at lower temperatures to an intrinsic thermal equilibrium regime at higher temperatures, accelerating the growth of the dislocation bubbles. Similarly, the threshold for fission gas release was associated with the grain boundary vacancy diffusivity surpassing the gas atom diffusivity at sufficiently high temperatures, allowing the over-pressurized grain boundary bubble to grow in size and interconnect. Using thermo-mechanical models with the fission gas model, two integral fuel pin assessment cases were simulated. This work demonstrates the ability of a multiscale approach to accelerate the understanding of advanced fuel forms when experimental data is limited.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Nuclear Materials and Properties · Nuclear reactor physics and engineering · Fusion materials and technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (88)
Show source-provided references
1. Nitride fuel for Gen IV nuclear power systems10.1007/s10967-018-6316-0 ↗
2. Preliminary transient thermal-hydraulic analysis for new coated UN and UC fuel options in SCWR10.1016/j.pnucene.2013.11.008 ↗
3. Nitrides as a nuclear fuel option10.1016/j.jeurceramsoc.2005.03.181 ↗
4. Prospects for using nitride fuel in fast reactors with a closed nuclear fuel cycle
5. Uranium nitride tristructural-isotropic fuel particle10.1016/j.jnucmat.2020.152034 ↗
6. Steam oxidation of uranium mononitride in pure and reducing steam atmospheres to 1200°C10.1016/j.jnucmat.2021.153487 ↗
7. Helium- and sodium-bonded mixed-nitride fuel performance
8. Matzke · 1986
9. Ma · 1983
10. Blank · 2006
11. Nitride fuels: properties and potentials
12. Weaver · 1969
13. Latimer · 1983
14. Matthews · 1993
15. Fabrication and testing of uranium nitride fuel for space power reactors10.1016/0022-3115(88)90029-3 ↗
16. Mononitride fuel for fast reactors
17. Results of irradiation of (U0.55Pu0.45) N and (U0.4Pu0.6) N fuels in BOR-60 up to 12at.% burn-up10.1016/j.jnucmat.2013.04.033 ↗
18. Fission gas release and swelling in uranium–plutonium mixed nitride fuels10.1016/j.jnucmat.2004.01.002 ↗
19. S.B. Ross, M.S. El-Genk, R. Matthews, UN fuel swelling correlation, thermal conductivity for UN fuel between 10 and 1923 K, J. Nucl. Mater. 171, 67–75.
20. An equation which describes fission gas release from UN reactor fuel10.1016/0022-3115(88)90161-4 ↗
21. A Model for Fission Gas Release from UN Fuel
22. Growth of inert-gas bubbles in solids with constant rate of gas generation10.1063/1.1657888 ↗
23. Radiation re-solution of fission gas in uranium dioxide and carbide10.1016/0022-3115(86)90205-9 ↗
24. Steady-state fuel behavior modeling of nitride fuels in FRAPCON-EP10.1016/j.jnucmat.2012.04.011 ↗
25. Diffusion theory of fission gas migration in irradiated nuclear fuel UO210.1016/0022-3115(85)90071-6 ↗
26. A kinetic rate theory modelling of fission gas release and fuel swelling for UN fuels10.1016/j.jnucmat.2021.153188 ↗
27. J. Rest, S. Zawadzki, FASTGRASS: a mechanistic model for the prediction of Xe, I, Cs, Te, Ba, and Sr release from nuclear fuel under normal and severe-accident conditions, United States, 1992.10.2172/7255051 ↗
28. Multiscale modeling of fission gas behavior in U3Si2 under LWR conditions10.1016/j.jnucmat.2019.04.037 ↗
29. Improvement of the BISON U3Si2 modeling capabilities based on multiscale developments to modeling fission gas behavior10.1016/j.jnucmat.2021.153097 ↗
30. Multiscale modelling for the fission gas behaviour in the TRANSURANUS code10.5516/NET.2011.43.6.477 ↗
31. Simulations of the self- and Xe diffusivity in uranium mononitride including chemistry and irradiation effects10.1016/j.jnucmat.2023.154685 ↗
32. First-principles investigation of uranium mononitride (UN): effect of magnetic ordering, spin-orbit interactions and exchange correlation functional10.1016/j.jnucmat.2021.153401 ↗
33. Development and application of a uranium mononitride (UN) potential: thermomechanical properties and Xe diffusion10.1016/j.jnucmat.2022.153553 ↗
34. Cluster dynamics simulation of uranium self-diffusion during irradiation in UO210.1016/j.jnucmat.2019.151787 ↗
35. Cluster dynamics simulation of xenon diffusion during irradiation in UO210.1016/j.jnucmat.2020.152326 ↗
36. Atomistic and cluster dynamics modeling of fission gas (Xe) diffusivity in TRISO fuel kernels10.1016/j.jnucmat.2022.153539 ↗
37. Physics-based modelling of fission gas swelling and release in UO2 applied to integral fuel rod analysis10.1016/j.nucengdes.2012.12.002 ↗
38. A model describing intra-granular fission gas behaviour in oxide fuel for advanced engineering tools10.1016/j.jnucmat.2018.02.024 ↗
39. Modeling intra-granular fission gas bubble evolution and coarsening in uranium dioxide during in-pile transients10.1016/j.jnucmat.2020.152195 ↗
40. BISON: a flexible code for advanced simulation of the performance of multiple nuclear fuel forms10.1080/00295450.2020.1836940 ↗
41. The development of grain-face porosity in irradiated oxide fuel10.1016/j.jnucmat.2003.10.008 ↗
42. The sodium-bonding pin concept for advanced fuels part I: swelling of carbide fuel up to 12% burnup10.13182/NT83-A33271 ↗
43. The sodium-bonding pin concept for advanced fuels. Part III: calculations of the swelling performance10.13182/NT85-A33566 ↗
44. Swelling analysis of highly-rated MX-type LMFBR fuels: II. Microsopic swelling behaviour10.1016/0022-3115(78)90359-8 ↗
45. Microstructure and fission gas bubbles in irradiated mixed carbide fuels at 2 to 11 a/o burnup10.1016/0022-3115(84)90020-5 ↗
46. The fission gas bubble distribution in uranium dioxide from high temperature irradiated SGHWR fuel pins10.1016/0022-3115(77)90117-9 ↗
47. On the behaviour of intragranular fission gas in UO2 fuel10.1016/S0022-3115(00)00028-3 ↗
48. Pipe and grain boundary diffusion of He in UO210.1088/0953-8984/28/40/405002 ↗
49. Multidimensional multiphysics simulation of nuclear fuel behavior10.1016/j.jnucmat.2012.01.012 ↗
50. A calculation on the migration of fission gas in material exhibiting precipitation and re-solution of gas atoms under irradiation10.13182/NSE69-A20676 ↗
51. Vacancy potential and void growth on grain boundaries10.1179/030634575790445161 ↗
52. Modelling of grain face bubbles coalescence in irradiated UO2 fuel10.1016/j.jnucmat.2007.06.021 ↗
53. A new fission-gas release model10.1016/0022-3115(83)90176-9 ↗
54. Radiation induced athermal diffusivity in uranium mononitride
55. Modelling of fission gas release and gaseous swelling of light water reactor fuels10.1016/S0022-3115(96)00731-3 ↗
56. Re-solution of fission gas – a review: part I. Intragranular bubbles10.1016/j.jnucmat.2006.03.010 ↗
57. Irradiation-enhanced diffusion and diffusion-limited creep in U3Si210.1016/j.jnucmat.2021.153129 ↗
58. Matthews · 2016
59. Grain-boundary diffusion of U in pure and doped uranium carbides with different C/U ratios10.1111/j.1151-2916.1975.tb19561.x ↗
60. Grain growth in uranium nitride prepared by spark plasma sintering10.1016/j.jnucmat.2018.02.041 ↗
61. Cluster dynamics simulation of uranium self-diffusion during irradiation in UO2
62. Cluster dynamics simulation of xenon diffusion during irradiation in UO210.1016/j.jnucmat.2020.152326 ↗
63. The diffusion coefficients of gaseous and volatile species during the irradiation of uranium dioxide10.1016/0022-3115(82)90419-6 ↗
64. Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2±x: implications for nuclear fuel performance modeling10.1016/j.jnucmat.2014.03.041 ↗
65. Gas release mechanisms in UO2-a critical review10.1080/00337578008207118 ↗
66. A. Schneider, C. Matthews, Personal communication, 2024.
67. Impact of grain boundary and surface diffusion on predicted fission gas bubble behavior and release in UO2 fuel10.1016/j.jnucmat.2024.155032 ↗
68. On the role of grain boundary diffusion in fission gas release10.1016/S0022-3115(00)00725-X ↗
69. Radiation re-solution of fission gas in non-oxide nuclear fuel10.1016/j.jnucmat.2014.11.108 ↗
70. Nearest-neighbor statistics for packings of hard spheres and disks10.1103/PhysRevE.51.3170 ↗
71. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
72. Chemical forms of solid fission products in the irradiated uranium—plutonium mixed nitride fuel10.1016/0022-3115(94)90233-X ↗
73. Material property correlations for uranium mononitride: I. Physical properties10.1016/0022-3115(90)90374-V ↗
74. Material property correlations for uranium mononitride: II. Mechanical properties10.1016/0022-3115(90)90375-W ↗
75. Material property correlations for uranium mononitride: III. Transport properties10.1016/0022-3115(90)90376-X ↗
76. OECD Halden Reactor Project, Halden, Norway, Fission gas release from UO2 pellet fuel at high burn-up, in: Proceedings of American Nuclear Society Topical Meeting on Light Water Reactor Fuel Performance, no. DOE/ET/34007–1.
77. An improved correlation for gas release from nitride fuels10.1016/j.jnucmat.2021.153402 ↗
78. Development and formulation of physics based metallic fuel models and comparison to integral irradiation data10.1016/j.jnucmat.2023.154343 ↗
79. Towards the inclusion of open fabrication porosity in a fission gas release model10.1016/j.jnucmat.2015.08.022 ↗
80. Phase and defect evolution in uranium-nitrogen-oxygen system under irradiation10.1016/j.actamat.2021.116778 ↗
81. M. Kosmidou, C. Matthews, A.J. Terricabras, H.T. Vo, W.-Y. Chen, J.T. White, C.A. Kohnert, D.D. Byler, D.A. Andersson, M.W. Cooper, E. Kardoulaki, Temperature dependency of dislocation evolution in Kr-irradiated Uranium Mononitride (UN) through in-situ TEM observation and modeling, Acta Mater., in review.
82. Simon · 2023
83. Theory of diffusion-limited precipitation10.1016/0022-3697(58)90053-2 ↗
84. Olander · 1976
85. Fundamental Aspects of Inert Gases in Solids
86. Fission gas release under time-varying conditions10.1016/0022-3115(85)90348-4 ↗
87. Polypole-1: an accurate numerical algorithm for intra-granular fission gas release10.1016/j.jnucmat.2016.06.028 ↗
88. An effective numerical algorithm for intra-granular fission gas release during non-equilibrium trapping and resolution10.1016/j.jnucmat.2018.07.030 ↗