journal article·2025-04

The effect of precipitates and alloying elements on γ-Fe (111) surface dissolution corrosion in liquid lead-bismuth eutectic by first-principles study

Yufei Li, Runyu Zhou, Tao Gao, Changan Chen

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Thermodynamic and Structural Properties of Metals and Alloys · Molten salt chemistry and electrochemical processes · Nuclear Materials and Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (85)

Show source-provided references
1. Galvanic corrosion of carbon and steel in aggressive environments10.1061/(ASCE)1090-0268(2001)5:3(200) ↗
2. Effect of extremely aggressive environment on the nature of corrosion scales of HP-13Cr stainless steel10.1016/j.apsusc.2018.10.237 ↗
3. Corrosion protection of steel pipelines against CO2 corrosion-a review
4. Improved corrosion resistance of reinforcing steel in mortars containing red mud after long-term exposure to aggressive environments10.1016/j.cemconcomp.2022.104522 ↗
5. Corrosion inhibitors for steel reinforcement in concrete: a review10.5897/SRE11.1051 ↗
6. G.H. Koch, M.P. Hein Brongers, N.G. Thompson, Y.P. Virmani, J. Payer, Corrosion cost and preventive strategies in the United States, United States. 2002.
7. Materials science: share corrosion data10.1038/527441a ↗
8. Structure of surface oxides on martensitic steel under simultaneous ion irradiation and molten LBE corrosion10.1016/j.corsci.2021.109953 ↗
9. Corrosion behaviour of stainless steels in flowing LBE at low and high oxygen concentration10.1016/j.jnucmat.2004.07.011 ↗
10. Review of the studies on fundamental issues in LBE corrosion10.1016/j.jnucmat.2007.06.019 ↗
11. Corrosion behavior of heat-treated Fe–Al coated steel in lead–bismuth eutectic under loading10.1016/j.pnucene.2011.05.014 ↗
12. Corrosion mechanism of lead-bismuth eutectic at grain boundary in ferritic steels and the effect of alloying elements: a first-principles study10.1016/j.jnucmat.2022.153915 ↗
13. Interactions between alloy elements and oxygen at the steel–liquid LBE interface determined from first-principles molecular dynamics simulations10.1039/C9CP05626B ↗
14. An energetic evaluation of dissolution corrosion capabilities of liquid metals on iron surface10.1039/C4CP01224K ↗
15. First-principles study on the corrosion resistance of oxygen at Fe-Pb/Bi solid-liquid interface10.1016/j.jnucmat.2023.154470 ↗
16. Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi10.1016/j.apsusc.2022.152686 ↗
17. Chemical states of 3d transition metal impurities in a liquid lead–bismuth eutectic analyzed using first principles calculations10.1039/C7CP00575J ↗
18. Effect of alloying elements on liquid metal embrittlement of pure BCC Fe in contact with liquid lead-bismuth eutectic: experiments and first principles calculation10.1016/j.corsci.2022.110522 ↗
19. TEM-EELS analysis reveals the W-atom mediated radiation-induced amorphization in M23C610.1016/j.jnucmat.2024.155439 ↗
20. W-concentration dependent radiation-induced amorphization in M23C6 via atomic-scale analysis by Voronoi tessellation10.1016/j.mtla.2024.102186 ↗
21. Radiation-induced amorphization of M23C6 in F82H steel: an atomic-scale observation10.1016/j.jnucmat.2021.153345 ↗
22. Effect of long term aging on microstructure and precipitates of valve bolts in power plant
23. Precipitation of M23C6 and its effect on tensile properties of 0.3C–20Cr–11Mn–1Mo–0.35N steel10.1016/j.matdes.2015.04.016 ↗
24. Precipitation of second phases in high-interstitial-alloyed austenitic steel10.1007/s11661-011-0924-4 ↗
25. Precipitation behavior in boundaries and its influence on impact toughness in 22Cr25Ni3W3CuCoNbN steel during short-term ageing10.1016/j.msea.2021.140924 ↗
26. Grain boundary precipitation phenomena in an alloy 33 (Cr-Fe-Ni-N) subjected to direct-aging treatments (700 °C and 900 °C)10.1016/j.matchar.2018.03.046 ↗
27. Precipitation and hot deformation behavior of austenitic heat-resistant steels: a review10.1016/j.jmst.2017.01.025 ↗
28. Characterization of precipitates in X12CrMoWVNbN10-1-1 steel during heat treatment10.1016/j.jnucmat.2014.06.018 ↗
29. The formation mechanism, growth, and effect on the mechanical properties of precipitate free zones in the alumina-forming austenitic stainless steel Fe–20Cr–30Ni–2Nb–5Al during creep10.1016/j.msea.2021.141561 ↗
30. The effect of stress on primary MC carbides degeneration of Waspaloy during long term thermal exposure10.1016/j.jallcom.2017.11.166 ↗
31. Effects of ageing conditions on the precipitates evolution, chromium depletion and intergranular corrosion susceptibility of AISI 316L: experimental and modeling results10.1016/j.msea.2003.12.017 ↗
32. Investigation of carbide precipitation process and chromium depletion during thermal treatment of alloy 69010.1007/s11661-009-0082-0 ↗
33. Creep damage characteristics and evolution of HR3C austenitic steel during long term creep
34. Zhang · 2023
35. The influence of alloying on Zn liquid metal embrittlement in steels10.1016/j.actamat.2020.06.001 ↗
36. Role of M23C6 carbide on the corrosion characteristics of modified 9Cr-1Mo steel in N2-O2-CO2-SO2 atmosphere at 650 C10.1016/j.apsusc.2019.03.272 ↗
37. Formation, structure and magnetism of the γ-(Fe, M) 23C6 (M= Cr, Ni) phases: a first-principles study10.1016/j.actamat.2015.08.078 ↗
38. Stability and structures of the CFCC-TmC phases: a first-principles study10.1016/j.commatsci.2011.07.017 ↗
39. First-principles study of helium trapping in carbide precipitates (Cr23C6) in ferritic-martensitic steels10.1080/15361055.2017.1416245 ↗
40. First-principles study of phase stability and temperature-dependent mechanical properties of (Cr, M) 23C6 (M= Fe, Mo) phases10.1016/j.jallcom.2020.153948 ↗
41. Stability, structure and electronic properties of γ-Fe23C6 from first-principles theory10.1016/j.actamat.2010.01.025 ↗
42. Ab-initio simulations of materials using VASP: density-functional theory and beyond10.1002/jcc.21057 ↗
43. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
44. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
45. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
46. The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set10.1063/1.1926272 ↗
47. Cao · 2008
48. Effects of oxygen adsorption on the corrosion behavior of the Ti(0001) surface: a DFT investigation10.1039/D3CP05758E ↗
49. Surface properties and dissolution trends of Pt3M alloys in the presence of adsorbates10.1021/jp8046888 ↗
50. DFT investigation of the dissolution trends of NiTi alloys with the B2 and B19′ phases during the initial oxidation stage10.1039/D3CP01024D ↗
51. DFT study on surface properties and dissolution trends of Al(1 0 0) surfaces doped with Zn, Ga, In, Sn and Pb10.1016/j.apsusc.2010.11.165 ↗
52. Recent progress on metal-enhanced photocatalysis: a review on the mechanism10.34133/2021/9794329 ↗
53. Comparison of density of states of transition metal disilicides and their related compounds systematically calculated by a first-principle pseudopotential method using plane-wave basis10.1016/S0966-9795(99)00125-9 ↗
54. Compounds, first principles study of Li–Si crystalline phases: charge transfer, electronic structure, and lattice vibrations10.1016/j.jallcom.2010.01.142 ↗
55. First-principles analysis of the inhibitive effect of interstitial carbon on an active dissolution of martensitic steel10.1016/j.corsci.2019.108251 ↗
56. Electrode potential and activation energy of sodium transition-metal oxides as cathode materials for sodium batteries: a first-principles investigation10.1016/j.commatsci.2015.04.027 ↗
57. The performance of Li-doped LiCoO2 for Li-ion battery: a first-principles study10.1016/S1452-3981(23)16074-3 ↗
58. Challenges for rechargeable Li batteries10.1021/cm901452z ↗
59. Structure, electrode voltage and activation energy of LiMnxCoyNi1-x-yO2 solid solutions as cathode materials for Li batteries from first-principles10.1149/2.025208jes ↗
60. On the theory of oxidation—Reduction reactions involving electron transfer. V. comparison and properties of electrochemical and chemical rate constants110.1021/j100798a033 ↗
61. First-principles study of metal adatom adsorption on graphene10.1103/PhysRevB.77.235430 ↗
62. The adsorption and dissolution properties of iron surfaces in liquid lithium and lead under a fusion environment10.1016/j.jnucmat.2019.06.033 ↗
63. Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: a first-principles study10.1088/1674-1056/23/5/056801 ↗
64. Effects of alloying on oxidation and dissolution corrosion of the surface of γ-Fe (111): a DFT study
65. Electronegativity and bond energy10.1021/ja00346a026 ↗
66. Strontium substitution in bioactive calcium phosphates: a first-principles study10.1021/jp808713m ↗
67. DFT insights into oxygen vacancy formation and CH4 activation over CeO2 surfaces modified by transition metals (Fe, Co and Ni)10.1039/C7CP08376A ↗
68. Surface properties and dissolution trends of Pt3M alloys in the presence of adsorbates10.1021/jp8046888 ↗
69. First-principles explain the anodic dissolution corrosion of stainless steel surface10.1016/j.commatsci.2023.112392 ↗
70. Electrochemical dissolution of surface alloys in acids: thermodynamic trends from first-principles calculations10.1016/j.electacta.2007.02.082 ↗
71. Analysis of the effect of electron correlation on charge density distributions10.1021/j100181a030 ↗
72. The bonding characteristics of the Cu (111)/WC (0001) interface: an insight from first-principle calculations10.1016/j.vacuum.2021.110218 ↗
73. First principles study of work functions of single wall carbon nanotubes10.1103/PhysRevLett.94.236602 ↗
74. Periodicity, work function and reactivity of graphene on Ru (0001) from first principles10.1088/1367-2630/12/4/043041 ↗
75. Electronegativity difference as a descriptor for the oxidation-inhibiting effect of the alloying element during the early stages of titanium oxidation10.1021/acs.langmuir.1c02633 ↗
76. Assessment of the correlation between M23C6 precipitates and pitting corrosion resistance of 0Cr13 martensitic stainless steel10.1016/j.corsci.2021.109580 ↗
77. Precipitation behavior of M23C6 in high nitrogen austenitic heat-resistant steel10.1016/j.jallcom.2022.164013 ↗
78. Elemental inter-diffusions for the transformation of δ/M23C6/γ phases during heat treatment processes in heavy gage 316H-type austenitic stainless steel10.1007/s11661-022-06695-1 ↗
79. Influence of the secondary phase on micro galvanic corrosion of low carbon bainitic steel in NaCl solution10.1016/j.matchar.2018.03.021 ↗
80. Irradiation damages of structural materials under different irradiation environments10.1016/j.jnucmat.2020.152503 ↗
81. Effects of helium production and displacement damage on microstructural evolution and mechanical properties in helium-implanted austenitic stainless steel and ferritic/martensitic steel10.4028/www.scientific.net/MSF.1024.53 ↗
82. Comparative study of radiation damage accumulation in Cu and Fe10.1016/S0022-3115(99)00220-2 ↗
83. Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach10.1016/j.jnucmat.2004.07.037 ↗
84. Chemical and topological disordering in M23C6 due to irradiation: an atomic-scale observation10.1016/j.jnucmat.2023.154733 ↗
85. Study of radiation-induced amorphization of M23C6 in RAFM steels under iron irradiations