Integrated computational materials engineering of corrosion resistant alloys
Abstract Structure, composition and surface properties dictate corrosion resistance in any
given environment. The degrees of freedom in alloy design are too numerous in emerging …
given environment. The degrees of freedom in alloy design are too numerous in emerging …
Multi-scale computational study of high-temperature corrosion and the design of corrosion-resistant alloys
Corrosion is a serious problem, which reduces the efficiency and lifespan of various
technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the …
technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the …
[HTML][HTML] A review of uranium corrosion by hydrogen and the formation of uranium hydride
Uranium hydride (UH 3) is the direct product of the reaction between uranium metal and
gaseous hydrogen. In the context of uranium storage, this corrosion reaction is considered …
gaseous hydrogen. In the context of uranium storage, this corrosion reaction is considered …
Density functional theory: an essential partner in the integrated computational materials engineering approach to corrosion
The utility of density functional theory (DFT) for modeling in materials science and
engineering with a focus on corrosion, is broadly introduced, along with an introduction to …
engineering with a focus on corrosion, is broadly introduced, along with an introduction to …
The role of Nb in enhancing the corrosion resistance of U-Nb alloy to hydrogen
L Chen, H Ji, B Su, P Chen, X Wang - Corrosion Science, 2025 - Elsevier
The corrosion resistance of uranium to hydrogen has been significantly enhanced by
niobium addition while its mechanism remains unknown. To better understanding the …
niobium addition while its mechanism remains unknown. To better understanding the …
[HTML][HTML] A review of classical hydrogen isotopes storage materials
Y Liu, Z Yang, P Zhou, X Xiao, J Qi, J Bi, X Huang… - Materials Reports …, 2024 - Elsevier
Hydrogen storage alloys (HSAs) are attracting widespread interest in the nuclear industry
because of the generation of stable metal hydrides after tritium absorption, thus effectively …
because of the generation of stable metal hydrides after tritium absorption, thus effectively …
Hydrogen in actinides: electronic and lattice properties
Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties
are discussed within a general framework of H impact on bonding, characterized by volume …
are discussed within a general framework of H impact on bonding, characterized by volume …
Corrosion informatics: an integrated approach to modelling corrosion
CD Taylor - Corrosion Engineering, Science and Technology, 2015 - journals.sagepub.com
Materials informatics is based on the integration of tools for generating, classifying,
analysing and disseminating knowledge in the domain of materials science and …
analysing and disseminating knowledge in the domain of materials science and …
Pressure-induced structural and electronic phase transitions of uranium trioxide
The crystal structures, phonon spectra, and electronic properties of uranium trioxide (UO 3)
under high pressure have been systematically explored using a particle swarm optimization …
under high pressure have been systematically explored using a particle swarm optimization …
Nitride layers on uranium surfaces
K Liu, X Wang, J Liu, Y Hu, H Zhong, Q Pan… - Progress in Surface …, 2018 - Elsevier
Uranium as an important energy material plays a significant role within the field of material
sciences and nuclear industrial applications. However, metallic uranium is chemically active …
sciences and nuclear industrial applications. However, metallic uranium is chemically active …