%0 Journal Article
%T A genetic algorithm for the atomistic design and global optimisation of substitutionally disordered materials
%+ Laboratoire des colloïdes, verres et nanomatériaux (LCVN)
%A Mohn, Chris E.
%A Kob, Walter
%Z 9 pages, 4 figures
%< avec comité de lecture
%Z 08-199
%@ 0927-0256
%J Computational Materials Science
%I Elsevier
%V 45
%P 111-117
%8 2008
%D 2008
%Z 0809.1613
%R 10.1016/j.commatsci.2008.03.046
%K Genetic algorithm
%K Alloys
%K Disordered materials
%K Surfaces
%K Monte Carlo
%K Ising model
%Z PACS classification codes: 61.43.-j; 02.50.Ga; 02.50.Ng; 61.66.Dk; 61.66.Fn; 61.72.Bb; 6172.uj
%Z Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]
%Z Physics [physics]/Condensed Matter [cond-mat]/Disordered Systems and Neural Networks [cond-mat.dis-nn]Journal articles
%X We present a genetic algorithm for the atomistic design and globaloptimisation of substitutionally disordered bulk materials and surfaces.Premature convergence which hamper conventional genetic algorithms due toproblems with synchronisation is avoided using a symmetry adapted crossover.The algorithm outperforms previously reported Monte Carlo and genetic algorithmsimulations for finding low energy minima of two simple alloy models withoutthe need for any redesign.
%G English
%L hal-00364535
%U https://hal.science/hal-00364535
%~ CNRS
%~ UNIV-MONTP2
%~ LCVN
%~ UNIV-MONTPELLIER
%~ UM1-UM2