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Molecular-dynamics computer simulation of copper clusters:structural stability, energetics, and melting
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056606.pdf
Date
1996
Author
Özdoğan, Cem
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URI
https://hdl.handle.net/11511/9085
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Graduate School of Natural and Applied Sciences, Thesis
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Cluster properties of copper have been investigated using the Molecular-Dynamics MD technique. The structural stability and energetics of spherical Cu, (n = 13 - 135) clusters have been investigated at temperatures T = 1 K and T = 300 K. It has been found that the average interaction energy per atom in the cluster decreases and reaches an asymptotic value as cluster size increases. The melting behaviour of clusters n = 13 and n = 55 have been investigated. It has been found that the melting temperature decr...
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C. Özdoğan, “Molecular-dynamics computer simulation of copper clusters:structural stability, energetics, and melting,” Middle East Technical University, 1996.