A key issue in understanding and effectively managing hydrogen embrittlement in complex alloys is identifying and exploiting the critical role of the various defects involved. A chemo-mechanical model for hydrogen diffusion is developed taking into account stress gradients in the material, as well as microstructural trapping sites such as grain boundaries and dislocations. In particular, the energetic parameters used in this coupled approach are determined from ab initio calculations. Complementary experimental investigations that are presented show that a numerical approach capable of massive scale-bridging up to the macroscale is required. Due to the wide range of length scales accounted for, we apply homogenisation schemes for the hydrogen concentration to reach simulation dimensions comparable to metallurgical process scales. Via a representative volume element approach, an ab initio based scale bridging description of dislocation-induced hydrogen aggregation is easily accessible. When we extend the representative volume approach to also include an analytical approximation for the ab initio based description of grain boundaries, we find conceptual limitations that hinder a quantitative comparison to experimental data in the current stage. Based on this understanding, the development of improved strategies for further efficient scale bridging approaches is foreseen.

A novel medium manganese (MMn) steel with additions of Cr (18%), Ni (5%), V (1%), and N (0.3%) was developed in order to provide an enhanced corrosion resistance along with a superior strength–ductility balance. The laboratory melted ingots were hot rolled, cold rolled, and finally annealed at 1000 °C for 3 min. The recrystallized single-phase austenitic microstructure consisted of ultrafine grains (~1.3 µm) with a substantial amount of Cr- and V-based precipitates in a bimodal particle size distribution (100–400 nm and <20 nm). The properties of the newly developed austenitic MMn steel X20CrNiMnVN18-5-10 were compared with the standard austenitic stainless steel X5CrNi18-8 and with the austenitic twinning-induced plasticity (TWIP) steel X60MnAl17-1. With a total elongation of 45%, the MMn steel showed an increase in yield strength by 300 MPa and in tensile strength by 150 MPa in comparison to both benchmark steels. No deformation twins were observed even after fracture for the MMn steel, which emphasizes the role of the grain size and precipitation-induced change in the austenite stability in controlling the deformation mechanism. The potentio-dynamic polarization measurements in 5% NaCl revealed a very low current density value of 7.2 × 10⁻⁴ mA/cm² compared to that of TWIP steel X60MnAl17-1 of 8.2 × 10⁻³ mA/cm², but it was relatively higher than that of stainless steel X5CrNi18-8 of 2.0 × 10⁻⁴ mA/cm². This work demonstrates that the enhanced mechanical properties of the developed MMn steel are tailored by maintaining an ultrafine grain microstructure with a significant amount of nanoprecipitates, while the high corrosion resistance in 5% NaCl solution is attributed to the high Cr and N contents as well as to the ultrafine grain size.

Complex carbide precipitates in a quenched and tempered low alloy Cr–Mo–V steel after long-term aging at 650 °C for 13,000 h and 30,000 h were investigated in this study. The mass fraction and sizes of precipitates were quantified by electrolytical extraction technique. The types of precipitate were further studied by combined X-ray diffraction and transmission electron microscopy with selected area electron diffraction and energy dispersive spectrometry. A series of carbide precipitates, namely MC, M₇C₃, M₆C, and M₂C, were found existing in the near-equilibrium state. The precipitate sequence of these carbides was identified as MC + M₇C₃ + M₂C → MC + M₂C + M₇C₃ + M₆C → MC + M₇C₃ + M₆C. It was clarified that the stable phases for the investigated steel aged at 650 °C were composed of MC, M₇C₃, and M₆C. For the first time, the in-situ transformations of M₂C to M₆C and M₇C₃ to M₆C were directly observed. It was also observed that the nucleation site of the M₆C was located at the interface of M₇C₃ carbides and the matrix. The orientation relationships between the secondary phases of the in-situ transforming carbides aged for 13,000 h and 30,000 h at 650 °C were established. The coherent interfaces between these secondary phases became incoherent with prolonged aging treatment due to the exerted strain field of the growing carbides.

The influences of hydrogen on the mechanical properties and the fracture behaviour of Fe-22Mn-0.6C twinning induced plasticity steel have been investigated by slow strain rate tests and fractographic analysis. The steel showed high susceptibility to hydrogen embrittlement, which led to 62.9% and 74.2% reduction in engineering strain with 3.1 and 14.4 ppm diffusive hydrogen, respectively. The fracture surfaces revealed a transition from ductile to brittle dominated fracture modes with the rising hydrogen contents. The underlying deformation and fracture mechanisms were further exploited by examining the hydrogen effects on the dislocation substructure, stacking fault probability, and twinning behaviour in pre-strained slow strain rate test specimens and notched tensile specimens using coupled electron channelling contrast imaging and electron backscatter diffraction techniques. The results reveal that the addition of hydrogen promotes planar dislocation structures, earlier nucleation of stacking faults, and deformation twinning within those grains which have tensile axis orientations close to //rolling direction and <112gt;//rolling direction. The developed twin lamellae result in strain localization and micro-voids at grain boundaries and eventually lead to grain boundary decohesion.