Abstract
A molecular dynamics simulation of the collision of an argon atom with a neutral cluster Ar n (n ≤ 400) in an equilibrium system at a temperature of T = 20–35 K has been performed using the classical trajectory method. It has been shown that the total capture cross section under these conditions exceeds the limiting value obtained in the hard-sphere model and approaches it very slowly with an increase in n and T. At the same time, the simulation results are in agreement with the Langevin capture cross section for an atom in the Gspann-Vollmar potential, particularly with allowance for the dependence of the capture probability on the collision rate.
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References
F. F. Abraham, Homogeneous Nucleation Theory (Academic, New York, 1974).
B. M. Smirnov, Phys. Usp. 54, 691 (2011).
B. M. Smirnov, Phys. Usp. 46, 589 (2003).
J. W. Brady, J. D. Doll, and D. L. Thompson, J. Chem. Phys. 73, 2767 (1980).
R. Venkatesh, W. H. Marlow, R. R. Lucchese, and J. Schulte, J. Chem. Phys. 104, 9016 (1996).
I. Napari, H. Vehkamäki, and K. Laasonen, J. Chem. Phys. 120, 165 (2004).
J. Vigué, P. Labastie, and F. Calvo, Eur. Phys. J. D 8, 265 (2000).
J. Zhong, M. I. Zeifman, and D. A. Levin, J. Thermophys. Heat Transfer 20, 41 (2006).
B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008).
M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1991).
A. I. Maergoiz, E. E. Nikitin, J. Troe, and V. G. Ushakov, J. Chem. Phys. 105, 6263 (1996).
D. G. Truhlar and J. T. Muckerman, in Atom-Molecule Collision Theory: A Guide for the Experimentalist, Ed. by R. B. Bernstein (Plenum, New York, 1979), p. 505.
J. Gspann and H. Vollmar, in Rarefied Gas Dynamics, 11th Symposium, Ed. by R. Campargue (CEA, Paris, 1979), Vol. 2, p. 1193.
S. Weerasinghe and F. G. Amar, J. Chem. Phys. 98, 4967 (1993).
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Original Russian Text © D.Yu. Dubov, 2011, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2011, Vol. 94, No. 10, pp. 838–842.
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Dubov, D.Y. Capture of an atom by an argon cluster: Atomistic simulation. Jetp Lett. 94, 774–778 (2012). https://doi.org/10.1134/S0021364011220048
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DOI: https://doi.org/10.1134/S0021364011220048