The Molecular Dynamics Research of the Formation of the Separation Boundary Between Metal Nanofilms
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematičeskoe modelirovanie i programmirovanie, Tome 6 (2013) no. 1, pp. 13-24 Cet article a éte moissonné depuis la source Math-Net.Ru

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At the present time studying the aggregate of the mechanisms responsible for the formation of nanostructures on the substrate during the deposition of metals from the beam or the gas phase is not completed. In order to identify these mechanisms are necessary methods of processes at the atomic level, among them one of the most powerful is the method of molecular dynamics. This presents its relevance the solution this problem. In this paper the influence of the orientation and the substrate temperature on the formation of the separation boundary Ag/Cu.
Keywords: vapor deposition, molecular dynamics modelling, separation boundary.
Mots-clés : nanostructure
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A. M. Igoshkin; I. F. Golovnev; V. M. Fomin. The Molecular Dynamics Research of the Formation of the Separation Boundary Between Metal Nanofilms. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematičeskoe modelirovanie i programmirovanie, Tome 6 (2013) no. 1, pp. 13-24. http://geodesic.mathdoc.fr/item/VYURU_2013_6_1_a1/

[1] K. A. R. Mitchell, D. P. Woodruff, G. W. Vernon, “A Test of Energy Averaging in LEED: The Coincidence Lattice Structure Formed by Ag on Cu (111)”, Surface Science, 46:2 (1974), 418–426 | DOI

[2] C. Mottet, G. Treglia, B. Legrand, “Structures of a Ag Monolayer Deposited on Cu (111), Cu (100), and Cu (110) Substrates: an Extended Tight-Binding Quenched-Molecular-Dynamics Study”, Phys. Rev. B, 46:24 (1992), 16018–16030 | DOI

[3] J. Jacobsen, L. Pleth Nielsen, F. Besenbacher, I. Stensgaard, E. Laegsgaard, T. Rasmussen, K. W. Jacobsen, J. K. Norskov, “Atomic-Scale Determination of Misfit Dislocation Loops at Metal-Metal Interfaces”, Phys. Rev. Lett., 75:3 (1995), 489–492 | DOI | MR

[4] B. Aufray, M. Gothelid, J.-M. Gay, C. Mottet, E. Landemark, G. Falkenberg, L. Lottermoser, L. Seehofer, R. L. Johnson, “Ag/Cu (111): an Incommensurate Reconstruction Studied with Scanning Tunneling Microscopy and Surface X-Ray Diffraction”, Microscopy Microanalysis Microstructures, 8:3 (1997), 167–174 | DOI

[5] I. Meunier, G. Treglia, J.-M. Gay, B. Aufray, B. Legrand, “Ag/Cu (111) Structure Revisited Through an Extended Mechanism for Stress Relaxation”, Phys. Rev. B, 59 (1999), 10910–10917 | DOI

[6] I. Meunier, G. Treglia, B. Legrand, R. Tetot, B. Aufray, J.-M. Gay, “Molecular Dynamics Simulations for the Ag/Cu (111) System: from Segregated to Constitutive Interfacial Vacancies”, Appl. Surf. Sci., 219 (2000), 162–163

[7] I. Meunier, R. Tetot, G. Treglia, B. Legrand, “Thermal Dependence of Surface Polymorphism: the Ag/Cu (111) Case”, Applied Surface Science, 177:4 (2001), 252–257 | DOI | MR

[8] I. Meunier, G. Treglia, R. Tetot, J. Creuze, F. Berthier, B. Legrand, “Misfit Dislocation Loops or Incommensurate Structure at an Interface: Vibrational and Anharmonic Effects”, Phys. Rev. B, 66:12 (2002), 125409–125423 | DOI

[9] T. Rassmussen, “Simulation of Misfit Dislocation Loopsat the Ag/Cu (111) Interface”, Phys. Rev. B, 62:19 (2000), 12664–12667 | DOI

[10] M. S. Daw, M. I. Baskes, “Embedded Atom Method: Derivation and Application to Impurities, Surfaces and Other Defects of Metals”, Phys. Rev. B, 29:12 (1984), 6443–6453 | DOI

[11] A. F. Voter, Embedded Atom Method Potentials for Seven fcc Metals: Ni, Pb, Pt, Cu, Ag, Au and Al, Los Alamos Unclassified technical report #LA-UR 93-3901, 1993

[12] Golovneva E. I., Golovnev I. F., Fomin V. M., “Modeling Quasi-Static Processes in Crystals by Molecular Dynamics”, Physical Mesomechanics, 6:6 (2003), 5–10 (in Russian)

[13] Bolesta A. V., Golovnev I. F., Fomin V. M., “Melting on Contact with Nickel Cluster Collision with a Rigid Wall”, Physical Mesomechanics, 4:1 (2001), 5–10 (in Russian)

[14] H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, J. R. Haak, “Molecular Dynamics with Coupling to an External Bath”, J. Chem. Phys., 81:8 (1984), 3684–3690 | DOI

[15] J. R. Ray, A. Rahman, “Statistical Ensembles and Molecular Dynamics Studies of Anisotropic Solids”, J. Chem. Phys., 80:9 (1984), 4423–4428 | DOI