Designing high ductility in magnesium alloys

R Ahmad, B Yin, Z Wu, WA Curtin - Acta Materialia, 2019 - Elsevier
The thermally activated pyramidal-to-basal (PB) transition of< c+ a> dislocations,
transforming glissile pyramidal dissociated core structures into sessile basal dissociated …

Analysis of double cross-slip of pyramidal I< c+ a> screw dislocations and implications for ductility in Mg alloys

R Ahmad, Z Wu, WA Curtin - Acta Materialia, 2020 - Elsevier
Solute accelerated cross-slip of pyramidal< c+ a> screw dislocations has recently been
recognized as a crucial mechanism in enhancing the ductility of solid-solution Mg alloys. In …

Machine learning for metallurgy II. A neural-network potential for magnesium

M Stricker, B Yin, E Mak, WA Curtin - Physical Review Materials, 2020 - APS
Interatomic potentials are essential for studying fundamental mechanisms of deformation
and failure in metals and alloys because the relevant defects (dislocations, cracks, etc.) are …

Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures

V Menon, S Das, V Gavini, L Qi - Acta Materialia, 2024 - Elsevier
Understanding solute segregation thermodynamics is the first step in investigating grain
boundary (GB) properties, such as strong yttrium (Y) effects on grain growth and texture …

First-principles approaches and models for crystal defect energetics in metallic alloys

YJ Hu - Computational Materials Science, 2023 - Elsevier
Many physical and mechanical properties of metallic alloys are sensitive to the formation
and migration of crystal defects such as vacancies, dislocations, stacking faults, and grain …

[HTML][HTML] Atomic simulation study on the effect of Y atom and grain boundary on tensile deformation in polycrystalline magnesium alloy

W Mei, Q Li, X Chen - Journal of Materials Research and Technology, 2023 - Elsevier
The deformation of polycrystalline magnesium alloy was studied by molecular dynamics
simulation. The influencing factors of tensile properties and its deformation mechanism were …

Role of micro-alloying element in dynamic deformation of Mg-Y alloys

B Liu, L Guo, Y Chen, X Li, K Wang, H Deng… - International Journal of …, 2024 - Elsevier
The microscopic mechanism of the effect of alloying element on the shock behavior for alloy
materials is still limited. In this work, based on our developed Finnis–Sinclair (F–S) …

[HTML][HTML] Atomic simulation study on the effect of nanotwin on the compression behavior of Mg–Y alloys

W Mei, Q Li, X Chen - Journal of Materials Research and Technology, 2023 - Elsevier
Twining play an important role in adjusting the mechanical properties and microstructure in
magnesium alloys. In this paper, molecular dynamics simulation was used to study the …

Dislocation pile-ups at β1 precipitate interfaces in Mg-rare earth (RE) alloys

Z Huang, C Yang, L Qi, JE Allison, A Misra - Materials Science and …, 2019 - Elsevier
The local confinement of slip in a magnesium matrix by arrays of planar prismatic β 1
precipitates in a dilute, over-aged Mg-Nd alloy is studied using transmission electron …

Formation of I1 stacking fault by deformation defect evolution from grain boundaries in Mg

YJ Hu, V Menon, L Qi - Journal of Magnesium and Alloys, 2022 - Elsevier
I 1 stacking faults (SFs) in Mg alloys are regarded as the nucleation sites of< c+ a>
dislocations that are critical for these alloys to achieve high ductility. Previously it was …