Combined Ab Initio and Experimental Study of Hydrogen Sorption in Dual-Phase Steels

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Abstract

Controlling the detrimental effect of hydrogen on the mechanical behaviour of advanced high strength steels is decisive for their application. Precipitates in steels can be useful in irreversibly trapping the hydrogen atoms, thereby preventing their diffusion to critical regions in the microstructure where they can be most detrimental. In this work, the capability of precipitates of transition metals in limiting the amount of diffusible hydrogen has been examined. A combined ab initio–experimental approach was used to study the hydrogen sorption in two DP800 steel grades with different concentrations of titanium and vanadium using cyclic voltammetry. Under the same charging conditions, diffusible hydrogen concentration was found to be higher in the vanadium grade as compared to the titanium grade. Scanning electron microscope characterisation revealed a more compact layer of oxide on the vanadium grade which contributed to more hydrogen absorption on the surface. Density Functional Theory calculations were performed to determine the trapping strength of precipitates of titanium and vanadium. C vacancy in titanium carbide was found to be the strongest hydrogen trap, but the C vacancy formation energy was much lower in vanadium carbide. At finite temperatures, however, both precipitates are experimentally known to be off-stoichiometric. Our DFT-based finding of the titanium grade being irreversible hydrogen trap is thus in agreement with the experimental results.

Original languageEnglish
Title of host publicationTMS 2021 150th Annual Meeting and Exhibition Supplemental Proceedings
Place of PublicationCham, Switzerland
PublisherSpringer
Pages730-741
ISBN (Electronic)978-3-030-65261-6
ISBN (Print)978-3-030-65260-9
DOIs
Publication statusPublished - 2021
Event150th Annual Meeting and Exhibition of The Minerals, Metals and Materials Society, TMS 2021 - Pittsburgh, United States
Duration: 15 Mar 202118 Mar 2021

Publication series

NameMinerals, Metals and Materials Series
Volume5
ISSN (Print)2367-1181
ISSN (Electronic)2367-1696

Conference

Conference150th Annual Meeting and Exhibition of The Minerals, Metals and Materials Society, TMS 2021
CountryUnited States
CityPittsburgh
Period15/03/2118/03/21

Keywords

  • Advanced high strength steels
  • Cyclic voltammetry
  • Density functional theory
  • Hydrogen trapping

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