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Molecular Dynamics Simulation of the Elastic Deformation of Nanometer Diameter Metal Clusters

Published online by Cambridge University Press:  21 February 2011

Dilip Y. Paithankar ,
Julian Talbot  and
Ronald P. Andres
Dilip Y. Paithankar
Affiliation:
School of Chemical Engineering, Purdue University, West Lafayette, IN 47907
Julian Talbot
Affiliation:
School of Chemical Engineering, Purdue University, West Lafayette, IN 47907
Ronald P. Andres
Affiliation:
School of Chemical Engineering, Purdue University, West Lafayette, IN 47907
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Abstract

Indentation using the AFM is a powerful method for determining elastic properties of small supported clusters. However, a theoretical framework has yet to be developed to interpret such measurements. The elastic deformation of nanometer sized gold clusters are modeled using the Embedded Atom Method (EAM) potential of Foiles et al. [1]. Force versus deformation curves are obtained for a series of truncated octahedral clusters having FCC symmetry (N=38, 201, 586, 1289, 2406). It is found that the MD results both for static compression and for harmonic vibration can be analytically estimated by using an elastic constant for the clusters analogous to the elastic modulus of a bulk material. However MD predictions for static compression are not in agreement with the deformation results of Schaefer et al. [2].

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 332: Symposium U – Determining Nanoscale Physical Properties of Materials by Microscopy and Spectroscopy , 1994 , 99
Copyright
Copyright © Materials Research Society 1994

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References

REFERENCES

1. Foiles, S.M., Baskes, M.I., and Daw, M.S., Phys. Rev. B., 33, 7983 (1986).CrossRefGoogle Scholar
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5. Paithankar, D.Y. (unpublished results).Google Scholar