[HTML][HTML] Prenucleation at the Interface Between MgO and Liquid Magnesium: An Ab Initio Molecular Dynamics Study

CM Fang, Z Fan - Metallurgical and Materials Transactions A, 2020 - Springer
Magnesia (MgO) particles inevitably exist in liquid Mg and may be used as potential sites for
heterogeneous nucleation to achieve effective grain refinement. Understanding of the …

Atomic ordering at the interfaces between liquid Al and solid MgO: An Ab Initio molecular dynamics study

C Fang, Z Fan - Philosophical Magazine Letters, 2020 - Taylor & Francis
Magnesia (MgO) particles inevitably exist in Al-Mg based alloys and can act as potential
nucleation sites during solidification processing. In this paper we investigated the effect of …

A comparative study on grain boundary segregation and solute clustering in Mg-Al-Zn and Mg-Zn-Ca alloys

HS Jang, D Seol, BJ Lee - Journal of Alloys and Compounds, 2022 - Elsevier
Magnesium, the lightest structural metal, has limited industrial application due to its poor
formability at room temperature. However, the mechanism for the effect of alloying elements …

The first principle research of CaO and MgO particulate heterogeneous nucleation in Mg alloys

G Shen, S Lyu, Y Zhao, C You, X Wang, M Chen - Applied Surface Science, 2022 - Elsevier
Based on first-principles density functional theory, the adhesion, stability and bonding
properties of the interfaces between (0001) plane of Mg and (1 1 1) plane of oxide (MgO and …

Ab initio calculations on the Mg/TiN heterogeneous nucleation interface

T Yang, M Wei, Z Ding, X Han, J Li - Journal of Physics and Chemistry of …, 2020 - Elsevier
First-principles method based on density functional theory is applied to calculate the Mg
(0001)/TiN (111) interfacial properties, including adhesion work, electronic structure and …

[HTML][HTML] Effect of solute atom adsorption on heterogeneous nucleation by in-situ MgO particles: Experimental and theoretical studies

L Mo, H Liao, X Zhou, YJ Zhao, J Du - Journal of Magnesium and Alloys, 2023 - Elsevier
The introduction of oxide inclusions during the smelting process has a clear promising
heterogeneous nucleation potency on Mg-based alloys, but the mechanism has not been …

[HTML][HTML] Grain refinement of Mg-Ca alloys by native MgO particles

S Wang, Y Wang, QM Ramasse, Z Fan - Journal of Magnesium and Alloys, 2024 - Elsevier
Abstract In Mg-Ca alloys the grain refining mechanism, in particular regarding the role of
nucleant substrates, remains the object of debates. Although native MgO is being …

[HTML][HTML] Segregation of Yttrium at the Mg/MgO interface in an Mg-0.5 Y Alloy

S Wang, Y Wang, QM Ramasse, R Schmid-Fetzer… - Acta Materialia, 2023 - Elsevier
Interfacial segregation of selected elements can be exploited to manipulate the potency of
solid substrates for heterogeneous nucleation, thus controlling the solidification process. As …

Segregation of Ca at the Mg/MgO interface and its effect on grain refinement of Mg alloys

SH Wang, F Wang, Y Wang… - IOP Conference Series …, 2019 - iopscience.iop.org
It has been reported that native MgO particles in Mg alloy melts can act as heterogeneous
nucleation substrates such that grain refinement of Mg alloys is achieved. A recent study …

Density functional theory-based investigations of solute kinetics and precipitate formation in binary magnesium-rare earth alloys: A review

D Choudhuri, SG Srinivasan - Computational Materials Science, 2019 - Elsevier
Magnesium-rare earth (RE) alloys have received substantial attention over the last two
decades for light-weight fuel efficient applications because of their low density of 1.74 gm/cc …