Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters
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Graphical Abstract
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Abstract
The Monte Carlo (MC) and embeddedatoms method (EAM) potential were employed to simulatethe structures and binding energies of copper clusters. When n=2, the simulative value did not accord with the experimental result. Therefore, we corrected the parameters of EAM potential based on the experimental value of Cu2. Then the structures and binding energies of Cun(n=2—21, 35 and 55) were simulated. The results show that the values simulated by corrected parameters accorded with the wellknown ones for n<21; but in contrast the uncorrected parameters could represent copper clusters better for n≥21. So we conclude that corrected parameters were only fit for smaller copper clusters.
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