Heterogeneous nucleation of T1 precipitates in solid solution of Al-Cu-Li alloys from Ag-rich structures: An ab initio study

S Wang, C Xue, X Yang, G Tian, J Wang - Scripta Materialia, 2023 - Elsevier
As the major strengthening phase, T 1 precipitates contribute over 60% of strength to the
advanced Al-Cu-Li alloys. Its nucleation is the first critical step in determining how many …

First-principles insights into complex interplays among nano-phases in an Al-Cu-Li-Zr alloy

Z Liu, P Ma, Y Jiang, Y Wang, C Liu - Acta Materialia, 2022 - Elsevier
Multiple nano-phases and nano-complexes feature the typical microstructures of current
commercial Al-Li alloys. We present a combined first-principles and scanning transmission …

Structural ordering governs stiffness and ductile-to-brittle transition in Al–Li alloys

S Wang, C Xue, X Yang, J Wang - The Journal of Chemical Physics, 2023 - pubs.aip.org
The trade-off of stiffness and ductility of metals has long plagued materials scientists. To
address this issue, atomic structure designs of short-range ordering (SRO) to sub-nanometer …

Heterophase interface dominated deformation and mechanical properties in Al‐Cu‐Li alloys

S Wang, C Zhang, X Li, J Wang - Advanced Theory and …, 2021 - Wiley Online Library
As a common phenomenon in multiphase systems, interfacial deformation has a significant
impact on the mechanical properties of materials. By utilizing the brittle cleavage and plastic …

[HTML][HTML] Tailoring Young's modulus by controlling Al bond length and strength using positive Li and negative Mg

C Xue, J Wang, S Wang, X Yang, G Tian, H Su… - Journal of Materials …, 2024 - Elsevier
For decades, it has been widely accepted that adding Mg to Al alloys decays Young's
modulus of Al alloys. However, the fundamental mechanism for Young's modulus reduction …

Effect of fission defects on tensile strength of U 3 Si 2 Σ5 (210) grain boundary from first-principles calculations

J Zhao, D Sun, L Xi, P Chen, J Zhao… - Physical Chemistry …, 2024 - pubs.rsc.org
U3Si2 is regarded as a promising accident tolerant fuel (ATF) to replace the commercial fuel
UO2; however, grain boundary (GB) embrittlement of U3Si2 caused by irradiation-induced …

Effects of Sr on Fe-rich intermetallics in recycled Al–Si–Cu alloys

Q Li, J Wang, C Xue, Y Miao, Q Hou, X Yang… - Journal of Materials …, 2024 - Springer
Sr has been widely used to convert the faceted needle-like eutectic Si to fibrous Si particles
for producing automotive engines, pistons, and wheels made of Al–Si–Cu alloys. However …

Effect of Ti, Ta, Nb on structural transformation of Ni3Al in terms of stacking faults

C Lu, X Min, W Wang, T Cao - Journal of Materials Science, 2024 - Springer
This study explored the structural stability, elastic properties, structural transformation, and
critical concentration of Ni3Al and Ni3M (M= Ti, Ta, Nb) using L12, D024, and DO22 …

Solute clustering governed elastic properties in aluminum

S Wang, C Xue, X Yang, G Tian, H Su, Y Zhang… - Calphad, 2022 - Elsevier
Here, we report an extensive screening of homoatomic solute-solute binding energies and
calculate the resulting elastic moduli in aluminum using density functional theory. Following …

[HTML][HTML] The Effects on Stability and Electronic Structure of Si-Segregated θ′/Al Interface Systems in Al-Cu Alloys

L Jiang, Z Zhao, G Wang - Coatings, 2024 - mdpi.com
This study systematically investigates the energy and electronic properties of Si-segregated
θ′(Al2Cu)/Al semi-coherent and coherent interface systems in Al-Cu alloys using ab initio …