期刊
PHYSICAL REVIEW MATERIALS
卷 5, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevMaterials.5.063604
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资金
- Swedish Research Council (VR)
- Swedish Foundation for Strategic Research (SSF)
- Carl Tryggers Foundations
- Swedish Innovation Agency (VINNOVA)
- Hungarian Scientific Research Fund [OTKA 128229]
- Swedish Research Council [2018-05973]
This study investigates the thermal effects on the elastic and thermodynamic properties of Al-Li and Al-Cr alloys using density-functional theory, finding that higher temperatures lower the modulus values while the addition of Li or Cr increases the Young's modulus. In the case of Al-Cr alloys, the Young's modulus increases linearly with higher Cr concentrations.
Thermal effects on the elastic and thermodynamic properties of face-centered cubic (fcc) Al-Li and Al-Cr alloys are investigated here by means of density-functional theory. We calculate the polycrystalline Young's modulus, Poisson's ratio, bulk modulus and shear modulus as a function of alloying concentration and temperature. The calculated elastic and thermodynamic properties are in good agreement with available experimental data. Increasing temperature lowers the values of the moduli of both alloys. The results show that both alloying elements increase the Young's modulus. In the case of Al-Li alloys, below 8 at.% Li the Young's modulus increases due to solid solution formation. Further improvement of the stiffness at higher concentrations is due to formation of precipitates. Cr increases almost linearly the Young's modulus, which at 10 at.% Cr becomes almost 34% higher than that of pure Al. The formation of precipitates do not affect the value of the elastic moduli at low Cr concentrations. We estimate the solid solution hardening effect in these alloys by combining the Labusch-Nabarro theory with density-functional theory data.
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