Prediction of Fe self-diffusion and oxide layer growth on F/M steels
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OpenAlex topics: Metallurgical Processes and Thermodynamics · High-Temperature Coating Behaviors · Non-Destructive Testing Techniques
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References (81)
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1. Ferritic/martensitic steels for advanced nuclear reactors10.1007/s12666-009-0011-3 ↗
2. Influence of temperature on the interaction mode of T91 and AISI 316L steels with Pb–Bi melt saturated by oxygen10.1016/j.corsci.2008.02.006 ↗
3. Microstructural evolution of pre-oxidized T91 steel during LBE dissolution corrosion10.1007/s11085-024-10309-z ↗
4. Modelling of the oxide scale formation on Fe–Cr steel during exposure in liquid lead–bismuth eutectic in the 450–600 °C temperature range10.1002/maco.201005871 ↗
5. On oxidation film structure of SIMP steel exposed in stagnant oxygen-saturated LBE at 600 °C10.1016/j.corsci.2024.111927 ↗
6. Investigation of the anti-corrosion behavior of Fe-Cr oxide layer in LBE: a first-principles study10.1016/j.jnucmat.2024.155592 ↗
7. Influence of Si addition on the corrosion behavior of 9Cr ferritic/martensitic steel in static liquid lead–bismuth eutectic
8. Oxidation mechanism of an Fe–9Cr–1Mo steel by liquid Pb–Bi eutectic alloy at 470 °C (Part II)10.1016/j.corsci.2008.06.051 ↗
9. Microstructural understanding of the oxidation of an austenitic stainless steel in high-temperature steam through advanced characterization10.1016/j.actamat.2020.05.010 ↗
10. The distribution of cations in metal oxide and metal sulphide solid solutions formed during the oxidation of alloys10.1016/S0010-938X(69)80046-6 ↗
11. Investigation on oxygen controlled liquid lead corrosion of surface treated steels10.1016/S0022-3115(99)00211-1 ↗
12. K. Hauffe, The mechanism of oxidation of metals—Theory, in: W.J. Brumm (Ed.), Oxid. Met., Springer, Boston, MA, 1965, pp. 79–143. 10.1007/978-1-4684-8920-0_3.10.1007/978-1-4684-8920-0_3 ↗
13. Oxidation mechanism of steels in liquid–lead alloys10.1007/s11085-005-4392-3 ↗
14. The mechanism of high temperature aqueous corrosion of stainless steels10.1016/0010-938X(91)90125-9 ↗
15. Point defects and cation tracer diffusion in (CrxFe1−x)3−δO4 spinels10.1016/0167-2738(95)00190-H ↗
16. Defects and cation diffusion in magnetite (I)10.1002/bbpc.19770810320 ↗
17. Oxidation mechanism of a Fe–9Cr–1Mo steel by liquid Pb–Bi eutectic alloy (Part III)10.1016/j.corsci.2008.06.049 ↗
18. Point defects and transport in non-stoichiometric oxides: solved and unsolved problems10.1016/S0022-3697(97)00205-9 ↗
19. Predicting self-diffusion in metal oxides from first principles: the case of oxygen in tetragonal ZrO210.1103/PhysRevB.89.024105 ↗
20. A DFT study of defects in paramagnetic Cr2O310.1039/D1CP05756A ↗
21. P. Chen, M. Zheng, C. Deng, A. Shahboub, L. Luo, Formation and evolution of Cr-rich layer in Si-modified 9Cr ferrite/martenistic steels at 500 °C, unpublished results.
22. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
23. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
24. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
25. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
26. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
27. Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDA+U study10.1103/PhysRevB.57.1505 ↗
28. A density functional theory investigation of the electronic structure and spin moments of magnetite10.1088/1468-6996/15/4/044202 ↗
29. Charge-orbital ordering and Verwey transition in magnetite10.1103/PhysRevLett.93.156403 ↗
30. Magnetism of chromia from first-principles calculations10.1103/PhysRevB.79.104404 ↗
31. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points10.1063/1.1323224 ↗
32. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
33. Diffusion mechanisms
34. Calculation of impurity diffusivities in α-Fe using first-principles methods10.1016/j.actamat.2009.11.041 ↗
35. Self-diffusion in iron-based Fe–Mo alloys10.1016/j.actamat.2006.02.020 ↗
36. Effects of radiation-induced defects on microstructural evolution of Fe–Cr model alloys10.1016/j.jnucmat.2008.12.079 ↗
37. Effects of grain boundaries on the radiation-induced defects evolution in BCC Fe–Cr alloy: a molecular dynamics study
38. Radiation-accelerated precipitation in Fe–Cr alloys10.1016/j.actamat.2015.11.001 ↗
39. Dependence on grain boundary structure of radiation induced segregation in a 9 wt.% Cr model ferritic/martensitic steel10.1016/j.jnucmat.2012.12.026 ↗
40. Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni10.1016/j.apsusc.2010.10.051 ↗
41. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides10.1107/S0567739476001551 ↗
42. Diffusion rates of 3d transition metal solutes in nickel by first-principles calculations10.1016/j.actamat.2005.01.044 ↗
43. Solute diffusion in metals: larger atoms can move faster10.1103/PhysRevLett.92.085901 ↗
44. Vacancy mobility and interaction with transition metal solutes in Ni10.1088/0953-8984/26/48/485014 ↗
45. Ab-initio based modeling of diffusion in dilute bcc Fe–Ni and Fe–Cr alloys and implications for radiation induced segregation10.1016/j.jnucmat.2010.12.231 ↗
46. Vacancy self-diffusion parameters in tungsten: finite electron-temperature LDA calculations10.1103/PhysRevB.57.11184 ↗
47. Modeling of the magnetic free energy of self-diffusion in bcc Fe10.1103/PhysRevB.92.184102 ↗
48. Diffusion coefficients of rare earth elements in fcc Fe: a first-principles study10.1016/j.jpcs.2017.09.025 ↗
49. Mossbauer studies on self-diffusion in pure iron10.1088/0305-4608/18/7/016 ↗
50. Self-diffusion and isotope effect in γ-iron10.1016/0022-3697(68)90103-0 ↗
51. Calculation of self-diffusion coefficients in iron
52. Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe–X (X= Cr, Cu, Mn, Ni, P, Si) dilute alloys10.1016/j.actamat.2020.03.038 ↗
53. Stability and mobility of self-interstitials and small interstitial clusters in α-iron: ab initio and empirical potential calculations10.1016/j.nimb.2004.10.028 ↗
54. Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron10.1103/PhysRevB.93.184302 ↗
55. First-principles analysis of solute diffusion in dilute bcc Fe-X alloys10.1103/PhysRevB.96.094105 ↗
56. Computer simulation of carbon diffusion and vacancy–carbon interaction in α-iron10.1016/j.actamat.2006.05.029 ↗
57. Self diffusion anomaly in ferromagnetic metals: a density-functional-theory investigation of magnetically ordered and disordered Fe and Co10.1016/j.actamat.2014.01.025 ↗
58. Modeling of chromium precipitation in Fe–Cr alloys10.1103/PhysRevB.69.094103 ↗
59. Vibrational contributions to the stability of point defects in bcc iron: a first-principles study10.1016/j.nimb.2009.06.110 ↗
60. Orientation of interstitials in clusters in α-Fe: a comparison between empirical potentials10.4028/www.scientific.net/SSP.129.67 ↗
61. Exact ab initio transport coefficients in bcc Fe-X (X= Cr, Cu, Mn, Ni, P, Si) dilute alloys10.1103/PhysRevB.90.104203 ↗
62. Diffusion of phosphorus in α-Fe: an ab initio study10.1103/PhysRevB.71.214109 ↗
63. Atomistic study of multimechanism diffusion by self-interstitial defects in α-Fe10.1088/0965-0393/18/2/025008 ↗
64. Self-diffusion and diffusion of cobalt in alpha and delta-iron10.1080/14786436608211966 ↗
65. Migration kinetics of the self-interstitial atom and its clusters in bcc Fe10.1080/01418610108214307 ↗
66. 55Fe diffusion in magnetite crystals at 500 °C and its relevance to oxidation of iron10.1007/BF00541841 ↗
67. Defects and cation diffusion in magnetite (VII): Diffusion controlled formation of magnetite during reactions in the iron–oxygen system10.1002/bbpc.19860900814 ↗
68. Defects and cation diffusion in magnetite (VI): point defect relaxation and correlation in cation tracer diffusion10.1002/bbpc.19860900703 ↗
69. Schroer · 2007
70. C. Fazio, V.P. Sobolev, A. Aerts, S. Gavrilov, K. Lambrinou, P. Schuurmans, A. Gessi, P. Agostini, A. Ciampichetti, L. Martinelli, Handbook on Lead-Bismuth Eutectic Alloy and Lead Properties, Materials Compatibility, Thermal-Hydraulics and Technologies – 2015 Edition, OECD, 2015.
71. Analysis of oxide scale thickness and pores position of HCM12A steel in supercritical water10.1515/htmp-2021-0016 ↗
72. Estimation of oxidation kinetics and oxide scale void position of ferritic–martensitic steels in supercritical water10.1155/2017/9154934 ↗
73. Effect of silicon on dynamic/static corrosion resistance of T91 in lead–bismuth eutectic at 550 °C10.3390/ma15082862 ↗
74. Oxidation behavior of ferritic/martensitic steels in stagnant liquid LBE saturated by oxygen at 600 °C10.1016/j.jnucmat.2014.11.018 ↗
75. Predicting intergranular stress corrosion cracking of stainless steels in high-temperature water by incorporating crystallographic factor10.1016/j.actamat.2025.121322 ↗
76. Enhancing high-temperature corrosion and cracking resistance of a dual-phase high entropy alloy through surface grinding10.1016/j.corsci.2025.113227 ↗
77. Corrosion characteristics of T91 steel in lead–bismuth eutectic with different oxygen concentrations at 500 °C10.1002/maco.202112505 ↗
78. Effects of Si, Mn on the corrosion behavior of ferritic–martensitic steels in supercritical water (SCW) environments10.1016/j.corsci.2020.108432 ↗
79. The effect of impurities Pb, Bi, and PbO on erosion properties of lead–bismuth eutectic alloy on Fe3O4 oxide film by first principle calculations10.1002/sia.7091 ↗
80. First principles study on the dissolution corrosion behavior of RAFM steel in the liquid PbLi10.1016/j.jnucmat.2022.153634 ↗
81. An interpretable machine learning model for oxidation corrosion prediction of ferritic/martensitic steels in LBE10.1016/j.jnucmat.2025.155998 ↗