publication . Doctoral thesis . 2012

First-principles investigations of solid solution strengthening in Al alloys

Ma, Duancheng;
Open Access English
  • Published: 01 Jan 2012
  • Publisher: Shaker
  • Country: Germany
Any material properties, in principle, can be reproduced or predicted by performing firstprinciples calculations. Nowadays, however, we are dealing with complex alloy compositions and processes. The complexities cannot be fully described by first-principles, because of the limited computational power. The primary objective of this study is to investigate an important engineering problem, solid solution strengthening, in a simplified manner. The simplified scheme should allow fast and reliable prediction of the solid solution strengthening. It is simplified by capturing the key features of the solid solution strengthening, namely the volume and modulus mismatch. ...
free text keywords: Ab-initio-Rechnung, Mischkristall, Aluminiumlegierung, Dichtefunktionalformalismus, Mischkristallhärtung, Computersimulation, Mechanische Eigenschaft, Stoffgesetz, Quantenmechanik, Naturwissenschaften, Al-Mg, Al-Cu, Al-Li, Al-Zn, Al-Ca, Al-Sr, Al-Ir, Ashby maps, alloy design, ddc:500
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