Design and preparation of aluminum alloy with high thermal conductivity based on CALPHAD and first-principles calculation

Y Wang, H Kang, Y Guo, H Chen, M Hu, Z Ji - China Foundry, 2022 - Springer
To obtain the aluminum alloy with high thermal and mechanical properties, the effects of
alloying elements and the second phases on the thermal conductivity of Al alloys were …

[HTML][HTML] First-Principles Investigation of Point Defects on the Thermal Conductivity and Mechanical Properties of Aluminum at Room Temperature

T Fan, Z Ruan, B Nie, Y Liao, B Huang, Z Xu, Y Wu… - Coatings, 2023 - mdpi.com
The effects of point defects on the mechanical and thermal conductivity of aluminum at room
temperature have been investigated based on the first-principles calculations combined with …

Prediction of heat-resistant Al–Fe–Cu–Zr alloy from first-principles calculations: Stoichiometries, electronic structure, and physical properties

H Wang, Q Cai, D Hu, Y Wang, T Yang - Materials Chemistry and Physics, 2023 - Elsevier
To investigate the effect of Zr on the properties of the Al–Fe–Cu system, the structural
stability, electronic structure, and thermodynamic properties of the Al 3 Zr, Al 6 Fe, Al 2 Cu …

Effect of alloying elements on thermal conductivity of aluminum

A Zhang, Y Li - Journal of Materials Research, 2023 - Springer
The thermal conductivity of aluminum alloys is mainly influenced by alloying elements,
including their species, content, and existing state, but the influence level of each factor is …

First-principles investigation of the thermodynamics properties of Al3Sc and Al3Zr intermetallics

Z Xudong, W Shaoqing - Acta Metall Sin, 2013 - jcscp.org
A first-principles investigation of the structural and thermodynamic properties of Al 3 Sc and
Al 3 Zr intermetallics has been conducted using the norm--conserving pseudopotentials …

[HTML][HTML] The Influence of Substitutional Defects of Transition Metal Elements on the Stability and Thermal Properties of Al at Finite Temperatures: A First-Principles …

T Ye, L Lin, Z Ruan, T Fan, Y Wu, D Chen - Crystals, 2023 - mdpi.com
Based on first-principles calculations, the effects of substitutional defects of the 3d–5d
transition metal elements TMAl on the stability and thermal conductivity of the aluminum …

[HTML][HTML] Thermal conductivity of aluminum alloys—a review

A Zhang, Y Li - Materials, 2023 - mdpi.com
Aluminum alloys have been extensively used as heatproof and heat-dissipation components
in automotive and communication industries, and the demand for aluminum alloys with …

[HTML][HTML] First-Principles Study of the Structural, Mechanical and Thermodynamic Properties of Al11RE3 in Aluminum Alloys

T Fan, L Lin, H Liang, Y Ma, Y Tang, T Hu, Z Ruan… - Crystals, 2023 - mdpi.com
The stability and mechanical and thermodynamic properties of Al11RE3 intermetallics (RE=
Sc, Y and lanthanide La-Lu) have been investigated by combining first-principles and Debye …

Research on the thermal conductivity of metals based on first principles

Y CUI, S LI, T YING, H BAO, X ZENG - Acta Metall Sin, 2020 - ams.org.cn
Metals are widely used for heat sink and thermal management products, and their thermal
conductivities are critical in determining the cooling performance. An efficient method to …

First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics

X Zhang, S Wang - Computational materials science, 2014 - Elsevier
Thermal properties of several L1 2 Al 3 RE (RE= Y, Dy, Ho, Er, Tm and Lu) intermetallic
compounds are studied using the first-principles phonon calculations. The thermal …