First-Principles Study of Elastic and Surfaces Properties of a#937;(Al2Cu) Phase Article Swipe
Related Concepts
Materials science
Phase (matter)
Composite material
Physics
Quantum mechanics
Bao-Shu Qian
,
Yanhui Hou
,
Bo-Si Li
,
Min Liang
,
Yang Liu
·
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.2991/ame-17.2017.12
· OA: W2617592595
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.2991/ame-17.2017.12
· OA: W2617592595
Elastic and surface properties of Ω phase have been studied by using the first-principles calculations based on density functional theory.The elastic properties results show that Ω structures are more inclined to resist shear deformation than volume deformation, and the precipitation of Ω phase enhances the strength of the alloy, but reduces the ductility of the alloy.The surface relaxation, surface energy, and the corresponding electronic structure are calculated and analyzed to reveal surface properties of Ω phase.The calculated results are in accordance with the experiment results and calculated results of others, which provide theoretical reference for further practical applications of the alloys.
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