The Study with molecular dynamics simulation method of lithium microclusters
1996
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Danışman: Doç.dr. Nuri Kolsuz
Özet (EN)
m SUMMARY Masters Thesis THE STUDY WITH MOLECULAR DYNAMIC SIMULATION METHOD OF LITHIUM MICROCLUSTERS Sinan AKPTNAR Fırat University Graduate School of Natural and Applied Sciences Department of Physics 1996, Page : 56 In this study, the average potential energy per atom for Lithium microclusters at 10 °K temperature has been calculated by using Molecular Dynamics Simulation technique. The interaction potential was assumed to consist of two-body and three- body interaction terms. The total force components effecting on each atom were derived from the potential energy function. It was found that the step size of 10-14 sec. gives converged results. Our results are in good agreement with previously published results. Key Words : Lithium Microcluster, Molecular Dynamics Simulation Technique, Potential Energy Function
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Dr. Sinan Akpınar
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Sinan Akpınar (Master Thesis). The Study with molecular dynamics simulation method of lithium microclusters, 1996, Fırat University.
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