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IssuesArchive of Issues2010-3pp.343-351

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I.F. Golovnev, E.I. Golovneva, and V.M. Fomin, "Molecular-Dynamical Study of Surface Tension in Nanostructures," Mech. Solids. 45 (3), 343-351 (2010)
Year 2010 Volume 45 Number 3 Pages 343-351
DOI 10.3103/S0025654410030052
Title Molecular-Dynamical Study of Surface Tension in Nanostructures
Author(s) I.F. Golovnev (Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of Russian Academy of Sciences, Institutskaya 4/1, Novosibirsk, 630090 Russia, golovnev@itam.nsc.ru)
E.I. Golovneva (Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of Russian Academy of Sciences, Institutskaya 4/1, Novosibirsk, 630090 Russia, elena@itam.nsc.ru)
V.M. Fomin (Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of Russian Academy of Sciences, Institutskaya 4/1, Novosibirsk, 630090 Russia, fomin@itam.nsc.ru)
Abstract In the present paper, we perform a molecular-dynamical study of the surface tension in nanodimensional structures. In this case, we find three types of surface characteristics corresponding to different mechanisms of the surface reaction to the external actions:

1. Compression of clusters by the system of surface atoms in the absence of external actions (the Laplace pressure) and the dependence of the internal pressure on the radius.

2. Reaction of the already compressed cluster to the additional external compressive or expansive pressure, which results in surface deformation and in variations both in the energy of the surface atoms and in the binding energy of the surface and the bulk atoms.

3. Energy necessary to form a new surface under unloading (the Griffith energy).
Keywords solid mechanics, surface tension, nanostructure, molecular-dynamical modeling
References
1.  A. A. Griffith, "The Theory of Rupture," in Proc. 1st Int. Congr. Appl. Mech. Delft, 1924 (Waltmun, Delft, 1925), pp. 55-63.
2.  A. F. Voter, "Embedded Atom Method Potentials for Seven FCC Metals: Ni, Pd, Pt, Cu, Ag, and Al," in Los Alamos Unclassified Technical Report LA-UR-93-3901 (1993), pp. 3901-3908.
3.  E. I. Golovneva, I. F. Golovnev, and V. M. Fomin, "Modeling of Quasistatic Processes in Crystals by a Method of Molecular Dynamics," Fizich. Mezomekh. 6 (6), 5-10 (2003).
Received 26 January 2010
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