Atomic insights into the initial oxidation of uranium and the protective role of oxide layer
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OpenAlex topics: Nuclear Materials and Properties · Radioactive element chemistry and processing · Nuclear reactor physics and engineering
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References (64)
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1. Metallic fast reactor fuels10.1016/0149-1970(96)00005-4 ↗
2. Low-temperature irradiation behavior of uranium–molybdenum alloy dispersion fuel10.1016/S0022-3115(02)00850-4 ↗
3. Metallic fuels for advanced reactors10.1016/j.jnucmat.2009.03.007 ↗
4. Relativistic energy band structure and properties of γ-uranium10.1103/PhysRevB.7.4454 ↗
5. The solid-state properties of uranium A historical perspective and review10.1080/00018739400101465 ↗
6. Morrell · 2013
7. The U–Ti system: strengths and weaknesses of the CALPHAD method10.1016/j.jnucmat.2011.08.050 ↗
8. Study of decomposition and stabilization of splat-cooled cubic γ-phase U–Mo alloys10.1016/j.jallcom.2013.04.168 ↗
9. Research progress on surface corrosion of uranium materials10.1088/1742-6596/1965/1/012055 ↗
10. Effect of alloying on stability of grain boundary in γ phase of the U–Mo and U–Nb systems10.1016/j.calphad.2020.102241 ↗
11. Hofman · 1998
12. Phase transformation of metastable cubic γ-phase in U–Mo alloys10.1016/j.jallcom.2010.06.187 ↗
13. A review of the mechanisms, reaction products and parameters affecting uranium corrosion in water10.1016/j.ccr.2021.213899 ↗
14. A machine learning method for predicting corrosion weight gain of uranium and uranium alloys10.3390/ma16020631 ↗
15. Corrosion of uranium in air and water vapor: consequences for environmental dispersal10.1016/S0925-8388(98)00639-2 ↗
16. The crystallographic structure of the air-grown oxide on depleted uranium metal10.1016/j.corsci.2016.05.036 ↗
17. A review of uranium corrosion by hydrogen and the formation of uranium hydride10.1016/j.corsci.2018.03.002 ↗
18. The initial oxidation behavior of uranium and uranium-titanium alloys in standing storage10.1016/j.corsci.2020.108879 ↗
19. Density functional theory study of adsorption of H2O on γ-U(110) surface10.1007/s12648-023-02589-z ↗
20. Monitoring the in-situ oxide growth on uranium by ultraviolet-visible reflectance spectroscopy10.1063/1.4759053 ↗
21. Studies of the kinetics and mechanism of the oxidation of uranium by dry and moist air A model for determining the oxidation rate over a wide range of temperatures and water vapour pressures10.1016/0022-3115(94)90200-3 ↗
22. Study of the initial oxidation characteristics of uranium with pure oxygen below 100°C by spectroscopic ellipsometry10.1002/sia.2755 ↗
23. Surface oxidation of uranium metal as studied by X-ray photoelectron spectroscopy10.1039/dt9730000470 ↗
24. The kinetics of the initial stages of the reaction of uranium with oxygen10.1016/0022-5088(84)90294-7 ↗
25. The oxidative kinetics of uranium at different stages10.1016/j.corsci.2022.110487 ↗
26. Uranium oxidation kinetics monitored by in-situ X-ray diffraction10.1016/j.jnucmat.2016.12.021 ↗
27. Studies of the kinetics and mechanism of the oxidation of uranium by dry and moist air A model for determining the oxidation rate over a wide range of temperatures and water vapour pressures10.1016/0022-3115(94)90200-3 ↗
28. Interaction of water vapor with clean and oxygen-covered uranium surfaces10.1016/S0039-6028(87)80336-9 ↗
29. First-principles study of O2 adsorption on the α-U(001) surface10.1016/j.jpcs.2013.09.010 ↗
30. The interaction of oxygen with the α -U(001) surface: an ab initio study10.1088/0031-8949/89/7/075701 ↗
31. Density functional study of O2 molecule and O atom adsorption on α-U(001) surface10.1016/j.comptc.2016.08.015 ↗
32. Co-adsorption of O2 and H2O on α-uranium (110) surface: a density functional theory study10.1088/1674-1056/27/7/076501 ↗
33. Density functional study of O2 adsorption on (100) surface of γ-uranium10.1002/qua.20365 ↗
34. The interaction of oxygen with the γ-U(001) and (110) surfaces: an ab initio study10.1016/j.commatsci.2023.112025 ↗
35. First principles studies of oxygen adsorption on the γ-U(110) surface and influences of Mo doping10.1016/j.commatsci.2020.109633 ↗
36. Oxygen adsorption and diffusion on γ-U(001) surface: effect of titanium10.1016/j.commatsci.2017.12.002 ↗
37. Initial oxidation behavior of α-U and γ-U surfaces10.1016/j.jnucmat.2024.154964 ↗
38. CALYPSO: a method for crystal structure prediction10.1016/j.cpc.2012.05.008 ↗
39. Crystal structure prediction via particle-swarm optimization
40. Self-assembled ultrathin nanotubes on diamond (100) surface10.1038/ncomms4666 ↗
41. Particle swarm optimization algorithm: an overview10.1007/s00500-016-2474-6 ↗
42. A density functional study of carbon monoxide adsorption on (100) surface of γ-uranium10.1016/j.jallcom.2006.10.069 ↗
43. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
44. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
45. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
46. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
47. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
48. Generalized gradient approximation for the exchange-correlation hole of a many-electron system10.1103/PhysRevB.54.16533 ↗
49. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
50. The structures of uranium metal10.1107/S0365110X4900028X ↗
51. First-principles molecular dynamics study of water dissociation on the γ-U(100) surface10.1088/0953-8984/27/17/175005 ↗
52. First-principles elastic and structural properties of uranium metal10.1103/PhysRevB.66.085113 ↗
53. First-principles study of nitrogen adsorption and dissociation on α-uranium (001) surface10.1039/C4RA06315E ↗
54. Comment on “correlation and relativistic effects in U metal and U-Zr alloy: validation of ab initio approaches10.1103/PhysRevB.90.157101 ↗
55. DFT+U calculations of the ground state and metastable states of uranium dioxide10.1103/PhysRevB.79.235125 ↗
56. Density functional theory calculations of UO2 oxidation: evolution of UO2+x, U4O9–y, U3O7, and U3O8, inorg
57. Ab initio study of the adsorption of O, O2, H2O and H2O2 on UO2 surfaces using DFT+U and non-collinear magnetism10.1016/j.jnucmat.2024.155249 ↗
58. Oxygen potential, uranium diffusion, and defect chemistry in UO2±x: a density functional theory study10.1021/acs.jpcc.4c06580 ↗
59. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
60. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
61. Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)10.1103/PhysRevB.46.16067 ↗
62. Optical properties and electronic structure of UO210.1063/1.324978 ↗
63. Griffiths · 2018
64. Bader · 1990