Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters

GAI Zhi-gang; LI Gong-ping#

doi:10.11804/NuclPhysRev.24.01.076

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GAI Zhi-gang, LI Gong-ping#. Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters[J]. Nuclear Physics Review, 2007, 24(1): 76-79. doi: 10.11804/NuclPhysRev.24.01.076

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GAI Zhi-gang, LI Gong-ping#. Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters[J]. Nuclear Physics Review, 2007, 24(1): 76-79. doi: 10.11804/NuclPhysRev.24.01.076

Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters

doi: 10.11804/NuclPhysRev.24.01.076

School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2007-03-20

Abstract

The Monte Carlo (MC) and embeddedatoms 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 wellknown 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.
- Monte Carlo method,
- embeddedatom method,
- copper cluster,
- parameter correction
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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Parameter Correction and Application of Embeddedatom Method Potential in Investigation of Copper Clusters

doi: 10.11804/NuclPhysRev.24.01.076

School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2007-03-20

Key words:

Abstract: The Monte Carlo (MC) and embeddedatoms 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 wellknown 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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