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

S Tang, L Li, Q Peng, M Cai, J Li, Z Liu… - Physical Chemistry …, 2022 - pubs.rsc.org
Hydrogen trapping is a key factor in designing advanced vanadium alloys and steels, where
the influence of carbon vacancies is still elusive. Herein we have investigated the effect of …

Microvoids in electrochemically hydrogenated titanium-based alloys

E Brosh, NU Navi, BA Rosen, N Eliaz - international journal of hydrogen …, 2021 - Elsevier
In a recent study, it was observed that electrochemical charging with hydrogen produces
microvoids both in wrought and in additively manufactured, electron beam melted (EBM) Ti …

Preparation and properties of chromium protective coatings on lithium targets for accelerator-based neutron sources

Q Sun, J Wang, Y Xie, Y Hu, Q Jiang, F Zhang, T Wu… - Vacuum, 2024 - Elsevier
Chromium (Cr) with its high antioxidative properties acts as a protective layer for lithium
targets in accelerator-based boron neutron capture therapy (AB-BNCT). Employing a …

First-Principle and Atomistic Modelling in Materials Science

M Posselt - Materials, 2021 - mdpi.com
In the last two decades, the importance of Computational Materials Science has
continuously increased due to the steadily growing availability of computer power. At the …

First-Principle and Atomistic Modelling in Materials Science. Materials 2021, 14, 1469

M Posselt - 2021 - search.proquest.com
it must be emphasized that the content of this Special Issue reflect the state of the art in
Computational Materials Science by presenting a small collection of results of present …