Integrated Computational Materials, Process and Product Engineering – IC-MPPE 2022

The world’s transition to renewable energy sources with reduced or zero greenhouse gas emissions gives hydrogen a special role of a sustainable energy source, as it can be produced and converted without CO2 emissions. However, there is a long-standing problem related to hydrogen-material interaction, also known as the hydrogen embrittlement. Most of the known-to-date structural materials suffer from it and new material solutions are requires ensuring safety and efficiency of the materials used for the new type of applications.
In this work, we would like to present the results of the successful application of a model-based approach to design of hydrogen resistant Ni-base alloy and steel development. The approach includes theoretical methods ranging from the atomic scale up to the component level, verified by the state-of-the-art experimental methods. Both theoretical and experimental methods applied in this work have been used for cross validation of the obtained results and applied in a complementary manner to investigate the problem of hydrogen-material interaction and possible acting mechanisms of hydrogen embrittlement across the scales.