Hydriding of titanium: Recent trends and perspectives in advanced characterization and multiscale modeling

Y Zhu, TW Heo, JN Rodriguez, PK Weber, R Shi… - Current Opinion in Solid …, 2022 - Elsevier
Titanium (Ti) and its alloys are attractive for a wide variety of structural and functional
applications owing to excellent specific strength, toughness and stiffness, and corrosion …

First-principles design of strong solids: Approaches and applications

RF Zhang, SH Zhang, YQ Guo, ZH Fu, D Legut… - Physics Reports, 2019 - Elsevier
In the design of strong solids, especially hard and superhard materials, this review article
attempts to critically cover an extended field of first-principles derived mechanical properties …

Characterizing solute hydrogen and hydrides in pure and alloyed titanium at the atomic scale

Y Chang, AJ Breen, Z Tarzimoghadam, P Kürnsteiner… - Acta Materialia, 2018 - Elsevier
Ti and its alloys have a high affinity for hydrogen and are typical hydride formers. Ti-hydride
are brittle phases which probably cause premature failure of Ti-alloys. Here, we used atom …

Insights into the formation of titanium hydrides from first principles calculations

CM Wang, S Cao, FX Yang, YJ Ma, H Su, AQ Fu… - Acta Materialia, 2024 - Elsevier
Hydride induced embrittlement is one of the main causes for the stress corrosion crack of
titanium alloys. The formation process of the hydride at atomic level remains controversial as …

The micromechanics of fracture of zirconium hydrides

S Marashi, H Abdolvand - Acta Materialia, 2024 - Elsevier
Zirconium alloys are susceptible to hydrogen embrittlement and hydride precipitation. The
precipitation of hydrides is accompanied by a transformation strain, but the contribution of …

Hydrogen-surface interaction from first-principles calculations and its implication to hydrogen embrittlement mechanisms of titanium

CM Wang, LJ Zhang, YJ Ma, SZ Zhang, R Yang… - Applied Surface …, 2023 - Elsevier
Hydrogen embrittlement (HE) caused by the interaction between hydrogen and crack tip is
the key factors for the stress corrosion crack (SCC) of titanium alloys utilized in marine …

Grain-size-dependent ductile-to-brittle fracture mechanism of titanium sheets

L Sun, Z Xu, L Peng, X Lai - Scripta Materialia, 2022 - Elsevier
The effect of grain size on the ductile-to-brittle fracture behavior in pure titanium sheets was
investigated by building the connection between the defect development and the …

In-situ synchrotron-based high energy X-ray diffraction study of the deformation mechanism of δ-hydrides in a commercially pure titanium

Q Tan, Z Yan, R Li, Y Ren, Y Wang, B Gault, S Antonov - Scripta Materialia, 2022 - Elsevier
We used by in-situ high energy X-ray diffraction to investigate the deformation behavior of
Grade 2 commercially pure titanium that was hydrogen charged to form hydrides. The results …

Hydrogen atom occupancy variation induced fragile to strong transition of titanium hydride

S Wu, Y Chen, Y Yu, J Tang, Y Wang, R Guo, M Sun… - Scripta Materialia, 2024 - Elsevier
Hydrogen embrittlement is a prevalent issue that restricts the use of titanium as a structural
material. To comprehend the hydrogen embrittlement mechanism, it is necessary to …

[HTML][HTML] Atomistic investigation of the impact of phosphorus impurities on the tungsten grain boundary decohesion

PAT Olsson, P Hiremath, S Melin - Computational Materials Science, 2023 - Elsevier
In the present work, we have generated a new second-nearest neighbour modified
embedded atom method potential (2NN-MEAM) for the W–P system to investigate the impact …