The search for minimum potential energy structures of small atomic clusters. Application of the ant colony algorithm.

• Autorzy: Raczyński P. , Gburski Z.
• Języki publikacji: EN

Abstrakty

EN

The ant colony algorithm has been applied to the problem of finding the minimal potential energy configuration of a small physical system (cluster) of atoms interacting via the Lennard-Jones phenomenological potential. The ants were positively motivated if their activity (displacement of atomic positions) leads to a lower total potential energy of the system. Starting from a random spatial distribution of atoms, during the optimalization process, the ants were able to find configurations with energies much lower than the initial ones. The optimized configurations generated by the ant colony algorithm can be used as a good starting point for classical or ab initio molecular dynamics (MD) simulations.

Słowa kluczowe

EN

ant colony algorithm; cluster; potential energy; computer simulation

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2005
• Tom: Vol. 23, No. 3
• Strony: 599--606
• Opis fizyczny: Bibliogr. 7 poz., rys., tab.

Twórcy

autor

Raczyński P.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007, Katowice, Poland

autor

Gburski Z.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007, Katowice, Poland

Bibliografia

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• [4] ALLEN M.P., TILDESLEY D.J., Computer Simulation of Liquids, Oxford University Press, Oxford, 1989.
• [5] DAWID A. GBURSKI Z., J. Phys. Condens. Matter, 15 (2003), 2399.
• [6] BONABEAU E., DORIGO M., THERAULAZ G., From Natural to Artificial Systems, Oxford University Press, Oxford, 1999.
• [7] CORNE D., DORIGO M., GLOVER F., New Ideas in Optimalization, Mc Graw-Hill, Maidenhead, Berkshire 2000.