Paper Title:
First-Principles and Genetic Modelling of Precipitation Sequences in Aluminium Alloys
  Abstract

Aluminium alloys display complex phase transitions to achieve their desired properties.Many of these involve elaborated precipitation sequences where the main role is not played by ther-modynamically stable species, but by metastable precipitates instead. An interplay between phasestability, crystal symmetry, diffusion, volume and particle/matrix interfaces sets the pace for the ki-netics. Thermodynamic modelling, which focuses on stable precipitates, is not an aid in describingsuch processes, as it is usually transitional phases that achieve the desired properties. The model pre-sented here combines first--principles to obtain the transition precipitate energetics (both at the bulkand at the interface with the matrix) with thermochemical databases to describe the overall kineticsof stable precipitates. Precipitate size and number density are captured via the Kampmann--Wagnernumerical approach, which is embedded in a genetic algorithm to obtain optimal compositional andheat treatment scenarios for the optimisation of the mechanical properties in aluminium alloys of the 7000 series.

  Info
Periodical
Solid State Phenomena (Volumes 172-174)
Edited by
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
Pages
285-290
DOI
10.4028/www.scientific.net/SSP.172-174.285
Citation
M. De Jong, R. K. Dutta, M. H. F. Sluiter, A. G. Miroux, S. van der Zwaag, J. Sietsma, P. E.J. Rivera-Díaz-del-Castillo, "First-Principles and Genetic Modelling of Precipitation Sequences in Aluminium Alloys", Solid State Phenomena, Vols. 172-174, pp. 285-290, 2011
Online since
June 2011
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Price
$32.00
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