Ab initio identified design principles of solid-solution strengthening in Al

Solid-solution strengthening in six Al-X binary systems is investigated using first-principle methods. The volumetric mismatch parameter and the solubility enthalpy per solute were calculated. We derive three rules for designing solid-solution strengthened alloys: (i) the solubility enthalpy per sol...

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Bibliographic Details
Published in:Science and technology of advanced materials 2013-04, Vol.14 (2), p.025001-5
Main Authors: Ma, Duancheng, Friák, Martin, Pezold, Johann von, Raabe, Dierk, Neugebauer, Jörg
Format: Article
Language:English
Subjects:
10.07
30.05
30.06
ab initio
Al alloys
alloy design
Alloy systems
Alloys
Aluminum
Binary systems
Design engineering
DFT
Enthalpy
First principles
Mathematical analysis
Optimization
Solid solutions
solid-solution strengthening
Solubility
Solution strengthening
Strengthening
Thermodynamic properties
Upper bounds
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Summary:Solid-solution strengthening in six Al-X binary systems is investigated using first-principle methods. The volumetric mismatch parameter and the solubility enthalpy per solute were calculated. We derive three rules for designing solid-solution strengthened alloys: (i) the solubility enthalpy per solute is related to the volumetric mismatch by a power law; (ii) for each annealing temperature, there exists an optimal solute-volume mismatch to achieve maximum strength; and (iii) the strengthening potential of high volumetric mismatch solutes is severely limited by their low solubility. Our results thus show that the thermodynamic properties of the system (here Al-X alloys) set clear upper bounds to the achievable strengthening effects owing to the reduced solubility with increasing volume mismatch.
ISSN:1468-6996
1878-5514
DOI:10.1088/1468-6996/14/2/025001