Deutsch
 
Hilfe Datenschutzhinweis Impressum
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT
  Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

Ma, D., Friák, M., von Pezold, J., Raabe, D., & Neugebauer, J. (2015). Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia, 85, 53-66. doi:10.1016/j.actamat.2014.10.044.

Item is

Externe Referenzen

einblenden:

Urheber

einblenden:
ausblenden:
 Urheber:
Ma, Duancheng1, Autor           
Friák, Martin2, 3, Autor           
von Pezold, Johann4, Autor           
Raabe, Dierk5, Autor           
Neugebauer, Jörg6, Autor           
Affiliations:
1Theory and Simulation, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863392              
2Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863338              
3Academy of Sciences of the Czech Republic, Department of Structure of Materials - Electrical and magnetic properties, Brno, Czech Republic, ou_persistent22              
4Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344              
5Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381              
6Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

Inhalt

einblenden:
ausblenden:
Schlagwörter: Ab initio; Al alloys; DFT; Peierls-Nabarro model; Solid-solution strengthening
 Zusammenfassung: We propose an approach for the computationally efficient and quantitatively accurate prediction of solid-solution strengthening. It combines the 2-D Peierls-Nabarro model and a recently developed solid-solution strengthening model. Solid-solution strengthening is examined with Al-Mg and Al-Li as representative alloy systems, demonstrating a good agreement between theory and experiments within the temperature range in which the dislocation motion is overdamped. Through a parametric study, two guideline maps of the misfit parameters against (i) the critical resolved shear stress, tau(0), at 0 K and (ii) the energy barrier, Delta E-b, against dislocation motion in a solid solution with randomly distributed solute atoms are created. With these two guideline maps, tau(0) at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Details

einblenden:
ausblenden:
Sprache(n): eng - English
 Datum: 2015-02-15
 Publikationsstatus: Erschienen
 Seiten: 14
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: ISI: 000348956800006
DOI: 10.1016/j.actamat.2014.10.044
 Art des Abschluß: -

Veranstaltung

einblenden:

Entscheidung

einblenden:

Projektinformation

einblenden:

Quelle 1

einblenden:
ausblenden:
Titel: Acta Materialia
  Kurztitel : Acta Mater.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Tarrytown, NY : Pergamon
Seiten: - Band / Heft: 85 Artikelnummer: - Start- / Endseite: 53 - 66 Identifikator: ISSN: 1359-6454
CoNE: https://pure.mpg.de/cone/journals/resource/954928603100