Geodesic
On peculiarities of modeling of condensation by molecular dynamics methods
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 3 (2010), pp. 56-59 Cet article a éte moissonné depuis la source Math-Net.Ru

Voir la notice de l'article

Kinetics of nucleation process was studied by molecular dynamic simulation. The formation of cluster is found to be a two step process. The first step is the formation of a metastable cluster with excess energy. The second step is the stabilization of the cluster during the energy loss with elastic collisions with the inert gas atoms. The necessity of kinetics was shown.
Mots-clés : metal nanoparticles, condensation
Keywords: computer simulation. 
@article{VYURM_2010_3_a8,
     author = {A. G. Vorontsov},
     title = {On peculiarities of modeling of condensation by molecular dynamics methods},
     journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
     pages = {56--59},
     year = {2010},
     number = {3},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VYURM_2010_3_a8/}
}
TY  - JOUR
AU  - A. G. Vorontsov
TI  - On peculiarities of modeling of condensation by molecular dynamics methods
JO  - Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika
PY  - 2010
SP  - 56
EP  - 59
IS  - 3
UR  - http://geodesic.mathdoc.fr/item/VYURM_2010_3_a8/
LA  - ru
ID  - VYURM_2010_3_a8
ER  - 
%0 Journal Article
%A A. G. Vorontsov
%T On peculiarities of modeling of condensation by molecular dynamics methods
%J Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika
%D 2010
%P 56-59
%N 3
%U http://geodesic.mathdoc.fr/item/VYURM_2010_3_a8/
%G ru
%F VYURM_2010_3_a8
A. G. Vorontsov. On peculiarities of modeling of condensation by molecular dynamics methods. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 3 (2010), pp. 56-59. http://geodesic.mathdoc.fr/item/VYURM_2010_3_a8/

[1] R. Becker, W. Doring, “The kinetic treatment of nuclear formation in supersaturated vapors”, Ann. Phys., 24 (1935), 719 | DOI | Zbl

[2] Ya. I. Frenkel, Kineticheskaya teoriya zhidkostei, Sobr. izbr. tr., v. 3, Izd-vo AN SSSR, M., 1959, 460 pp.

[3] Ya. B. Zeldovich, “Teoriya obrazovaniya novoi fazy. Kavitatsiya”, Zhurnal eksperimentalnoi i teoreticheskoi fiziki, 12 (1942), 525–538

[4] S. M. Thompson, K. E. Gubbins, J. Walton et al., “A molecular dynamics study of liquid drops”, The Journal of Chemical Physics, 81 (1984), 530 | DOI

[5] D. I. Zhukhovitskii, “Molecular dynamics study of cluster evolution in supersaturated vapor”, The Journal of Chemical Physics, 103 (1995), 9401 | DOI

[6] K. Yasuoka, M. Matsumoto, “Molecular dynamics of homogeneous nucleation in the vapor phase. I: Lennard–Jones fluid”, The Journal of Chemical Physics, 109 (1998), 8451 | DOI

[7] A. G. Vorontsov, “Modelirovanie zarozhdeniya i rosta metallicheskikh nanochastits v protsesse kondensatsii iz peresyschennogo para”, Vestnik Yuzhno-Uralskogo gosudarstvennogo universiteta. Seriya «Matematika. Mekhanika. Fizika», 9(185):1 (2009), 39–44 | Zbl

[8] S. J. Plimpton, “Fast parallel algorithms for short-range molecular dynamics”, J. Comp. Phys., 117 (1995), 1 http://lammps.sandia.gov/index.html | DOI | Zbl

[9] S. M. Foiles, M. I. Baskes, M. S. Daw, “Embedded-atom-method functions for the FCC metals $\mathrm{Cu}$, $\mathrm{Ag}$, $\mathrm{Au}$, $\mathrm{Ni}$, $\mathrm{Pd}$, $\mathrm{Pt}$, and their alloys”, Phys. Rev. B, 33 (1986), 7983 | DOI