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Open access Sep 2026

Thermodynamic competition and hydrogen redistribution by coherent nanoprecipitates in high-strength steels

Designing nanoprecipitates as static hydrogen traps is a widely used strategy to mitigate hydrogen embrittlement (HE) in high-strength steels, yet increasing trapping capacity alone may not ensure resistance under dynamic loading. Here, the effect of Cu-rich precipitate evolution (B2 → BCC/9 R → FCC) on HE in low-a...

Zu-Wei Gan, Wen-Hong Ding, Zhong-Hai Zang et al. · 0 citations
Oct 2026

Quantitative evaluation of hydrogen segregation at tilt grain boundaries and dislocations in Fe–Cr–Ni alloy

Hydrogen interactions with microstructural defects play a critical role in hydrogen-induced degradation of austenitic stainless steels, yet a quantitative description of hydrogen solubility across defects of different dimensionalities remains limited. This work combines a machine learning interatomic potential with gra...

Shi-Qiang Hao, Michael C. Gao · 0 citations
Open access Sep 2026

Structural reorganisation governs atomic transport while preserving mobility hierarchy in a nanopolycrystalline Al₀.₈NbTiVNi₀.₂ lightweight refractory high-entropy alloy

Understanding atomic transport mechanisms in lightweight refractory high-entropy alloys (LW-RHEAs) is essential for predicting their long-term high-temperature stability and service performance. Although diffusion in high-entropy alloys has been widely investigated, the individual contributions of bulk and grain-boun...

Sadri Şen · 0 citations
Open access Sep 2026

Towards mitigating helium damage in nano-crystal iron and tungsten: a strategy based on the dual trap-channel functionality of grain boundaries tuned by their crystallographic character

Nuclear fusion structural materials in critical components like blanket and first-wall are subjected to intense helium (He) generation, causing severe microstructural degradation that limits operational lifetime. Nanocrystalline microstructures have emerged as a promising route toward healing displacement damage. Howev...

Fang-Qing Qian, Xiao-Lin Li, He Tong et al. · 0 citations
#diffusion models Sep 2026

Corrosion Product Films as Natural Barriers for Hydrogen Energy Pipelines: Structure-Permeation Correlations.

Ensuring the integrity of hydrogen-blended natural gas (HBNG) infrastructure is pivotal for the sustainable hydrogen energy landscape, yet the surface interactions governing hydrogen embrittlement remain a critical challenge. This study presents a multiscale quantitative characterization of the film structure and hydro...

Cai-Lin Wang, Xiu-Sai Xu, Zhan-Shuo Zhang et al. · 0 citations
Open access Sep 2026

An atomistic modelling approach to the thermodynamic and structural response of zirconium to hydrogen-defect interactions

Zirconium and its alloys are widely used in nuclear applications due to their low neutron absorption, corrosion resistance, and favorable mechanical properties. However, hydrogen uptake and irradiation-induced defects (vacancies and self-interstitial atoms (SIAs)) can significantly degrade performance. In this work, mo...

A. Alivaliollahi, H. Nemati, Gh. Alahyarizadeh · 0 citations

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