Ref HAL: hal-00364535_v1
Ref Arxiv: 0809.1613
DOI: 10.1016/j.commatsci.2008.03.046
WoS: 000264463800015
Ref. & Cit.: NASA ADS
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24 Citations
Résumé:

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.

Commentaires: 9 pages, 4 figures