TY  - JOUR
AU  - Hüter, Claas
AU  - Spatschek, Robert
AU  - Weikamp, Marc
TI  - Linking ab initio data on hydrogen and carbon in steels to statistical and continuum descriptions
JO  - Metals
VL  - 8
IS  - 4
SN  - 2075-4701
CY  - Basel
PB  - MDPI
M1  - FZJ-2018-02064
SP  - 219 -
PY  - 2018
AB  - We present a selection of scale transfer approaches from the electronic to the continuum regime for topics relevant to hydrogen embrittlement. With a focus on grain boundary related hydrogen embrittlement, we discuss the scale transfer for the dependence of the carbon solution behavior in steel on elastic effects and the hydrogen solution in austenitic bulk regions depending on Al content. We introduce an approximative scheme to estimate grain boundary energies for varying carbon and hydrogen population. We employ this approach for a discussion of the suppressing influence of Al on the substitution of carbon with hydrogen at grain boundaries, which is an assumed mechanism for grain boundary hydrogen embrittlement. Finally, we discuss the dependence of hydride formation on the grain boundary stiffness.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000434882800022
DO  - DOI:10.3390/met8040219
UR  - https://juser.fz-juelich.de/record/844679
ER  -