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Solving the Structure of the Phases in the Al-Mg-Si Alloy System with the Help of Ab Initio Modelling

Published online by Cambridge University Press:  11 February 2011

A. G. Froseth ,
S. J. Andersen ,
C. D. Marioara ,
P. M. Derlet  and
R. Hoier
A. G. Froseth
Affiliation:
Department of Physics, NTNU, 7491 Trondheim, NORWAY
S. J. Andersen
Affiliation:
SINTEF Materials Technology, Applied Physics, 7491 Trondheim, NORWAY
C. D. Marioara
Affiliation:
SINTEF Materials Technology, Applied Physics, 7491 Trondheim, NORWAY
P. M. Derlet
Affiliation:
Department of Physics, NTNU, 7491 Trondheim, NORWAY
R. Hoier
Affiliation:
Department of Physics, NTNU, 7491 Trondheim, NORWAY
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Abstract

The Al-Mg-Si (6xxx-series) alloy system is a precipitation hardened alloy gaining much of its strength from precipitate phases acting as pinning centers for dislocation movement. Five years ago, Zandbergen, Andersen and coworkers identified the crystallography of the so-called β″ phase, one of the main hardening phases, using solely electron microscopy techniques [1]. Later, several other phases have been identified using high resolution microscopy. To solve the crystallography of these phases and to get an increased understanding of the electronic structure and bonding, ab initio modeling has proven to be a valuable tool. We present results from calculations on two recently discovered phases and show how ab initio modeling can give insight into the bonding trends and electronic structure of the phases in this alloy system.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 755: Symposium DD – Solid-State Chemistry of Inorganic Materials IV , 2002 , DD1.5
Copyright
Copyright © Materials Research Society 2003

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References

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