Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1563696 | Computational Materials Science | 2009 | 7 Pages |
Abstract
We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conventional genetic algorithms due to problems with synchronisation is avoided using a symmetry adapted crossover. The algorithm outperforms previously reported Monte Carlo and genetic algorithm simulations for finding low energy minima of two simple alloy models without the need for any redesign.
Keywords
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Chris E. Mohn, Walter Kob,