Sluggish hydrogen diffusion and hydrogen decreasing stacking fault energy in a high-entropy alloy

First-principles insights into hydrogen trapping in interstitial-vacancy complexes in vanadium carbide

“…While the COHP method can deeply analyze the bonding characteristics between the different atoms, it has been widely used to analyze the interaction between H atoms and neighboring atoms in different systems such as high-entropy alloys and perovskites, providing an important reference for the quantitative study of atomic interactions. 64,65 The PDOS is obtained by integrating the charge density in the reciprocal space, which can characterize the distribution of electrons in an individual orbit, and reflect the hybridization between the electron orbits through the resonance peak. On the other hand, the COHP divides the energy of the band structure into bonding, antibonding, and non-bonding contributions, and the bond strength is evaluated based on COHP.…”

Environmental embrittlement behavior of high-entropy alloys

“…These above strategies should be further explored in many other HEA systems, like CoCrNi, CoNiV, and so on. Despite the experimental evidence that HEAs exhibit excellent HE resistance, the atomic mechanisms of HE in HEA systems have further been investigated through multiscale simulations and calculations [68,69] . Zhou et al presented a new theory of embrittlement in FCC metals by considering the role of hydrogen in driving an intrinsic ductile-to-brittle transition at a crack tip [Figure 7A-C] [68] .…”

“…Despite the experimental evidence that HEAs exhibit excellent HE resistance, the atomic mechanisms of HE in HEA systems have further been investigated through multiscale simulations and calculations [68,69] . Zhou et al presented a new theory of embrittlement in FCC metals by considering the role of hydrogen in driving an intrinsic ductile-to-brittle transition at a crack tip [Figure 7A-C] [68] . This theory can be used to quantitatively predict the hydrogen concentration at which a transition to embrittlement occurs for SS304, SS316L, CoCrNi, CoNiV, CoCrFeNi and CoCrFeMnNi.…”

“…(D) Predicted embrittled and unembrittled domains of hydrogen concentration for six alloys and Ni. The transition region corresponding to the upper and lower limits of K Ie is indicated by thick black lines (Reproduced with permission[68]…”

Analysis of Hydrogen Embrittlement on Aluminum Alloys for Vehicle-Mounted Hydrogen Storage Tanks: A Review

“…Due to the wide application of aluminum alloys, they are not only used in hydrogen vehicles to store liquid hydrogen, but also in the military industry and aerospace industry [16,32]. Apart from this, due to the wide sources of hydrogen, and under certain circumstances (such as the presence of chloride or humid air) that hydrogen itself does not necessarily exist, numerous conditions may cause hydrogen to enter the aluminum alloys [33].…”