Abstract
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based onab initiomodelling, we calculate solution energies and then employ Oriani’s theory which reflects the influence of Al alloying via trap site diffusion. This local equilibrium model is complemented by qualitative considerations of Einstein diffusion. Therefore, we apply the climbing image nudged elastic band method to compute the minimum energy paths and energy barriers for hydrogen diffusion. Both for diffusivity and solubility of hydrogen, we find that the influence of the substitutional Al atom has both local chemical and nonlocal volumetric contributions.
Highlights
High strength structural steels are a material class key to further developments in automotive light-weight construction [1,2,3]
At Mn weight fractions between 15 and 25 percent, high manganese steels offer a combination of high strength and desirable plasticity characteristics
High manganese steels exhibit a lower susceptibility to hydrogen embrittlement [11] than ferritic and martensitic steels [12, 13]
Summary
High strength structural steels are a material class key to further developments in automotive light-weight construction [1,2,3]. At Mn weight fractions between 15 and 25 percent, high manganese steels offer a combination of high strength and desirable plasticity characteristics. High manganese steels exhibit a lower susceptibility to hydrogen embrittlement [11] than ferritic and martensitic steels [12, 13]. The systematic investigation of hydrogen embrittlement in high manganese steels is challenged by the microstructural, interfacial, and chemical complexity of these materials. While the austenitic phase itself exhibits low diffusivity and high solubility of hydrogen, the transformation induced plasticity (TRIP) moderated martensitic transformation yields strong gradients of solubility and diffusivity due to the presence of ferritic phases
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