Advanced Study Group Ab Initio Based Modelling (ABM)
Impact of nanodiffusion on the stacking fault energy in high-strength steels
T. Hickel, S. Sandlöbes, R.K.W. Marceau, A. Dick, I. Bleskov, J. Neugebauer, D. Raabe.
Acta Materialia, 75, 147-155, (2014)
A key requirement of modern steels the combination of high strength and high deformability - can best be achieved by enabling a local adaptation of the microstructure during deformation. A local hardening is most efficiently obtained by a modification of the stacking sequence of atomic layers, resulting in the formation of twins or martensite. Combining ab initio calculations with in situ transmission electron microscopy, we show that the ability of a material to incorporate such stacking faults depends on its overall chemical composition and, importantly, the local composition near the defect, which is controlled by nanodiffusion. Specifically, the role of carbon for the stacking fault energy in high-Mn steels is investigated. Consequences for the long-term mechanical properties and the characterisation of these materials are discussed.
Keyword(s): Stacking fault energy; Iron; Carbon; In situ TEM; DFT