The investigation is generalized to clusters with sizes up to 3000 atoms, covering this way the range of sizes experimentally available for low energy cluster beam deposition. The atomic scale modeling is carried on by both Molecular Dynamics and Metropolis Monte Carlo. This represents a huge series of simulations (175 cases) to which further calculations are added by spot when finer tuning of the parameters is necessary. Analyzing the results is a major task which is still in progress. This way, not only a realistic range of sizes is covered, but also the whole range of compositions and the temperature range relevant to the solid and the liquid states.
References
[1]
Dzhurakhalov, A., Rasulov, A., Van Hoof, T. and Hou, M. (2004) Ag-Co Clusters Deposition on Ag(100): An Atomic Scale Study. European Physical Journal, D31, 53-61.
https://doi.org/10.1140/epjd/e2004-00115-2
https://www.researchgate.net/publication/225716851_Ag-Co_clusters_deposition_on_Ag100_ An_atomic_scale_study
https://link.springer.com/article/10.1140/epjd/e2004-00115-2
[2]
Rasulov, A.M. (2016) Kompyuternoe modelirovanie protsessov rasseyaniya i implantatsii ionov v tonkikh monokristallakh. Printing Center of Science and Technology. http://isbn.natlib.uz/uz-Latn-UZ/Search/Search?page=1538&size=10&type=1
[3]
Rasulov, A.M., Umarov, F.F., Dzhurakhalov, A.A. and Sagyndykov, A.B. (2014) Computer Simulation of Low-Energy Ion Near-Surface Implantation at Channeling Conditions and Different Mass Ratio of Colliding Particles. ICACS-26. Debrecen, Hungary, 208. https://agenda.infn.it/event/7409/contributions/67677/contribution.pdf
[4]
Hou, M., Kharlamov, V.S. and Zhurkin, E.E. (2002) Atomic-Scale Modeling of Cluster-Assembled NixAl1-x Thin Films. Physical Review B, 66, 195408-1. https://www.researchgate.net/publication/292615815_Processy_formirovania_nanostruktur_pri_ osazdenii_klasterov_Na_poverhnost_kristallov_S_pomosu_komputernogo_modelirovania https://doi.org/10.1103/PhysRevB.66.195408
[5]
Hou, M., El Azzaoui, M., Pattyn, H., Verheyden, J., Koops, G. and Zhang, G. (2000) Growth and Lattice Dynamics of Co Nanoparticles Embedded in Ag: A Combined Molecular-Dynamics Simulation and Mössbauer Study. Physical Review B, 62, 5117. https://journals.aps.org/prb/issues/62/8 https://doi.org/10.1103/PhysRevB.62.5117
[6]
Van Hoof, T. and Hou, M. (2004) Surface Effects on Structural and Thermodynamic Properties of Cu3Au Nanoclusters. Applied Surface Science, 226, 94-98. https://www.sciencedirect.com/journal/applied-surface-science/vol/226/issue/1 https://doi.org/10.1016/j.apsusc.2003.11.036
[7]
Oh, D.J. and Johnson, R.A. (1988) Simple Embedded Atom Method Model for fcc and hcp Metals. Journal of Materials Research, 3, 471-478. https://doi.org/10.1557/JMR.1988.0471
[8]
Johnson, R.A. (1989) Alloy Models with the Embedded-Atom Method. Physical Review B, 39, 12554. https://aip.scitation.org/doi/10.1063/1.4804954 https://doi.org/10.1103/PhysRevB.39.12554