Abstract

Iron (Fe) and iron-carbon (Fe-C) materials, used in various critical industrial applications, are susceptible to Hydrogen Embrittlement (HE) – a phenomenon leading to increased crack growth rate, reduced ductility, and potentially leading to catastrophic material failure. The intricate mechanisms underpinning HE demand comprehensive scrutiny. A pivotal aspect often overlooked is how hydrogen assimilation in these materials induces alterations in specific physical attributes, notably electrical resistivity. Addressing this gap, the study employs Density Functional Theory (DFT) and the MD-Landauer method to delve into the influence of hydrogen on the electrical characteristics of Fe and Fe-C systems. The study shows that the presence of interstitial hydrogen increases the resistivity of Fe and Fe-C systems. Hydrogen is seen to reduce the likelihood of electron transmission in the system by disrupting the electron density distribution. This introduces a noteworthy increase in resistivity with hydrogen incorporation. Moreover, the presence of defects, like vacancies and grain boundaries, is shown to increase the resistivity of these systems. Adding hydrogen along with these defects further increases the resistivity. Studying the effects of hydrogen on the physical properties of metals may pave the way for non-destructive detection of hydrogen presence in metals. Such understanding is crucial for enhancing quality control, ensuring material longevity, and preventing potential failures during manufacturing processes or in-service.