title: Ab initioidentified design principles of solid-solution strengthening in Al.
abstract: 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.
authors.affiliation: Max-Planck Institut für Eisenforschung, Max-Planck-Straße 1, Düsseldorf D-40237, Germany.
authors.forename: Duancheng
authors.initials: D
authors.lastname: Ma
authors.affiliation: Max-Planck Institut für Eisenforschung, Max-Planck-Straße 1, Düsseldorf D-40237, Germany.
authors.forename: Martin
authors.initials: M
authors.lastname: Friák
authors.affiliation: Max-Planck Institut für Eisenforschung, Max-Planck-Straße 1, Düsseldorf D-40237, Germany.
authors.forename: Johann
authors.initials: J
authors.lastname: von Pezold
authors.affiliation: Max-Planck Institut für Eisenforschung, Max-Planck-Straße 1, Düsseldorf D-40237, Germany.
authors.forename: Dierk
authors.initials: D
authors.lastname: Raabe
authors.affiliation: Max-Planck Institut für Eisenforschung, Max-Planck-Straße 1, Düsseldorf D-40237, Germany.
authors.forename: Jörg
authors.initials: J
authors.lastname: Neugebauer
keywords: 10.07; 30.05; 30.06; Al alloys; DFT; ab initio; alloy design; solid-solution strengthening; solubility