[HTML][HTML] First-principles study on the thermodynamic, electronic and mechanical properties of Mg–Al–Si ternary compounds

H Wang, Y Zhou, Q Dong, X Chen, J Tan - Journal of Materials Research …, 2022 - Elsevier
The alloys used in lightweight equipment such as magnesium (Mg) alloys are not only
required the considerable strength but also the good stiffness, ie, the Young's modulus (E) is …

[HTML][HTML] First-principles study of the mechanical and thermodynamic properties of aluminium-doped magnesium alloys

W Zhu, X Ma, Y Wang, C Wang, W Li - RSC advances, 2024 - pubs.rsc.org
Magnesium–aluminum (Mg–Al) alloys are widely used in aerospace, automobile and
medical equipment owing to their advantages of easy casting, high strength-to-mass ratio …

First-principles study the mechanical, electronic, and thermodynamic properties of Mg-Al-Mn ternary compounds

M Wang, Y Zhou, W Tian, J Li, H Chen, J Tan, X Chen - Vacuum, 2023 - Elsevier
In recent years, magnesium alloys have been used more and more widely due to their
excellent lightweight and good plasticity. But correspondingly, the requirements for the …

First-principles study on the elastic anisotropy and thermal properties of Mg–Y compounds

Y Zhou, Y Lin, H Wang, Q Dong, J Tan - … of Physics and Chemistry of Solids, 2022 - Elsevier
Magnesium (Mg) alloys are widely used in automobile, rail transit, and other fields; however
their heat resistance and deformation ability should be improved. In the present work, the …

First-principles investigation of the binary intermetallics in Mg–Al–Sr alloy: Stability, elastic properties and electronic structure

D Zhou, J Liu, S Xu, P Peng - Computational materials science, 2014 - Elsevier
First-principles calculations have been carried out to investigate the structural stability,
elastic properties and electronic structure of the main binary phases Mg 17 Al 12, Al 2 Sr, Al …

First-principle investigation of the structural, electronic, elastic, and elastic anisotropy properties and thermal stabilities of CeMg2Si2 and Mg2Si

WD Han, K Li, F Hu, XD Li, J Dai - Materials Research Express, 2019 - iopscience.iop.org
Based on the density functional theory (DFT), first-principle calculation methods were
employed to calculate and systematically investigate the structural, electronic, elastic, and …

Thermal stability and elastic properties of Mg2X (X= Si, Ge, Sn, Pb) phases from first-principle calculations

D Zhou, J Liu, S Xu, P Peng - Computational Materials Science, 2012 - Elsevier
Thermal stabilities, elastic properties and electronic structures of Mg2Si, Mg2Ge, Mg2Sn and
Mg2Pb have been determined from first-principle calculations. The calculated heats of …

First principles investigation of binary intermetallics in Mg–Al–Ca–Sn alloy: Stability, electronic structures, elastic properties and thermodynamic properties

W Feng, S Sun, YU Bo, F Zhang, P Mao… - … of Nonferrous Metals …, 2016 - Elsevier
The structural stability, electronic structures, elastic properties and thermodynamic
properties of the main binary phases Mg 17 Al 12, Al 2 Ca, Mg 2 Sn and Mg 2 Ca in Mg–Al …

Investigation on the Stability, Elastic Properties, and Electronic Structure of Mg2Si Doped with Different Concentrations of Cu: A First‐Principles Calculation

T Ma, T Liu, Y Ren, Y Li - physica status solidi (b), 2021 - Wiley Online Library
Herein, the effects of Cu doping with different concentrations on the stability, elastic
properties, and electronic structure of Mg2Si are investigated by first‐principles calculations …

[HTML][HTML] Structural, phonon, elastic, thermodynamic and electronic properties of Mg–X (X= La, Nd, Sm) intermetallics: The first principles study

S Rameshkumar, G Jaiganesh… - Journal of Magnesium and …, 2019 - Elsevier
We show the results of first-principles calculations of structural, phonon, elastic, thermal and
electronic properties of the Mg–X intermetallics in their respective ground state phase and …