First-principles modeling of anisotropic anodic dissolution of metals and alloys in corrosive environments

H Ma, XQ Chen, R Li, S Wang, J Dong, W Ke - Acta Materialia, 2017 - Elsevier
There have been extensive experimental observations of the anisotropic corrosion behavior
of metals and alloys, and their mechanisms were assumed to be correlated with the so …

Effects of different silicon content on irradiation defects and hardening in 9Cr ferritic/martensitic steel

Y Chen, Y Long, H Luo, Z Xie, W Lin, L Guo… - Journal of Nuclear …, 2022 - Elsevier
In order to explore the effect of silicon (Si) content on the irradiation behavior of
ferritic/martensitic (F/M) steel, 9Cr F/M steel with Si of 0, 0.4%, 0.7%, and 1.0% in weight …

A synergy of different corrosion failure modes pertaining to T91 steel impacted by extreme lead–bismuth eutectic flow pattern

C Li, X Fang, Q Wang, M Shen, H Wang, X Zeng, Y Liu… - Corrosion …, 2021 - Elsevier
This paper reports an attempt to speculate about corrosion resistance of T91 steel to
extreme lead–bismuth eutectic (LBE) flow pattern. We build a modified dynamic corrosion …

Effects of alloying elements on vacancies and vacancy-hydrogen clusters at coherent twin boundaries in nickel alloys

X Zhou, J Song - Acta Materialia, 2018 - Elsevier
The interactions between several typical alloying elements (ie, Al, Cr, Mo, Nb and Ti) and
hydrogen at coherent twin boundaries (CTB) in Ni alloys were systematically studied …

[HTML][HTML] Effects of Mn and Si on the ferrite decarburization of spring steel

H Wang, F Su, Z Wen, C Li - Journal of Materials Research and Technology, 2023 - Elsevier
Using a combination of experiments and first-principles calculations, we systematically
investigated the influence of Mn and Si on the ferrite decarburization process in spring steel …

First-principles calculations of transition metal solute interactions with hydrogen in tungsten

XS Kong, X Wu, CS Liu, QF Fang, QM Hu… - Nuclear …, 2015 - iopscience.iop.org
We have performed systematic first-principles calculations to predict the interaction between
transition metal (TM) solutes and hydrogen in the interstitial site as well as the vacancy in …

Predicting vacancy-mediated diffusion of interstitial solutes in -Fe

C Barouh, T Schuler, CC Fu, T Jourdan - Physical Review B, 2015 - APS
Based on a systematic first-principles study, the lowest-energy migration mechanisms and
barriers for small vacancy-solute clusters (V n X m) are determined in α-Fe for carbon …

Comparative effect of Mo and Cr on microstructure and mechanical properties in NbV-microalloyed bainitic steels

A Kostryzhev, N Singh, L Chen, C Killmore, E Pereloma - Metals, 2018 - mdpi.com
Steel product markets require the rolled stock with further increasing mechanical properties
and simultaneously decreasing price. The steel cost can be reduced via decreasing the …

Local environment dependence of Mn magnetism in bcc iron-manganese alloys: A first-principles study

A Schneider, CC Fu, C Barreteau - Physical Review B, 2018 - APS
Magnetic behavior of a 3 d solute in a ferromagnetic lattice can be very sensitive to local
environment, which is the case of manganese in bcc Fe. Body-centered cubic iron …

Ultrabroad distribution of multiple anelasticities in O-doped refractory multiprincipal element alloys

XG Wang, M Sun, XQ Liu, YB Ke, T Shi, JX Liu… - Acta Materialia, 2024 - Elsevier
The Snoek anelastic internal friction (IF) peak due to stress-induced dipole ordering
associated with interstitial atoms was well observed in IF curves of single-principal element …