3 papers
cond-mat.mtrl-sci2006
Cluster interactions for fcc-based structures in the Al-Mg-Si system
Nils Sandberg, Mattias Slabanja, Randi Holmestad
A class of proposed coherent precipitate structures (Guinier-Preston zones) in the Al-Mg-Si alloy are investigated using first-principles density functional theory methods. The clu…
cond-mat.mtrl-sci2003
Improved Tight Binding Parametrization for the Simulation of Stacking Faults in Aluminium
Anders G. Froseth, Peter M. Derlet, Randi Holmestad +1
We refit the NRL tight binding parameterization for Aluminium by Mehl \emph{et al} [Phys. Rev. B, 61, 4894 (2000)], to a database generated via full potential Linearized Augmented…
cond-mat.mtrl-sci2003
Bonding in MgSi and AlMgSi Compounds Relevant to AlMgSi Alloys
A. G. Froseth, P. M . Derlet, S. J. Andersen +2
The bonding and stability of MgSi and AlMgSi compounds relevant to AlMgSi alloys is investigated with the use of (L)APW+(lo) DFT calculations. We show that the and phases…