Elucidating the hydrogen influence on twin nucleation in FeNiCr medium-entropy alloy

Abstract

This study employs atomistic simulations to investigate the intricate interplay between hydrogen and twinning nucleation in FeNiCr medium entropy alloys (MEA). The observed effects of hydrogen on nucleation reveal a dualistic nature. Homogeneous twinning nucleation adheres to the classic Pascal distribution, facilitated by hydrogen, while surface-bound hydrogen inhibits this process. These findings underscore the intricate interplay between hydrogen and twinning mechanisms, emphasizing the distinct effects of internal and surface-bound hydrogen. The presence of twin architecture significantly enhances the alloy's overall strength, ductility, and toughness. This study's multifaceted analysis of hydrogen's influence on twinning nucleation adds complexity to understanding hydrogen's broader impact on MEA mechanical properties. The profound comprehension of the hydrogen-twinning relationship contributes to addressing hydrogen embrittlement concerns, offering insights for material design and durability enhancement.