Elektronik ve Haberleşme Mühendisliği Bölümü Yayın Koleksiyonu

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/260

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  • Article
    Citation - WoS: 3
    Citation - Scopus: 2
    Molecular Dynamics of Thermal Vibration Effects: Ar + Ni(100) Collision System
    (Elsevier Science Bv, 2010) Hundur, Yakup; Guvenc, Ziya B.; Hippler, Rainer
    In this work constant energy molecular dynamics simulations are achieved for investigating sputtering process of Ar + Ni(1 0 0) collision system. The Ni crystal is imitated by an embedded-atom potential, whereas the interaction between the projectile and the surface is modeled by re-parameterized ZBL potential. Seven hundred eighty-four Ar atoms carrying 20-50 eV are sent towards a Ni(1 0 0) surface at normal incidence. Each projectile meets with different initial coordinates (phase) of the nickel atoms because of thermal vibrations in the slab. Effects of the different initial phases of the surface are compared with the available theoretical and experimental data. (C) 2009 Elsevier B.V. All rights reserved.
  • Article
    Citation - WoS: 4
    Citation - Scopus: 3
    Developing Interaction Potential for H (2h) → Cu(111) Interaction System: a Numerical Study
    (Elsevier Science Bv, 2010) Vurdu, Can D.; Guevenc, Ziya B.; Güvenç, Ziya B.
    In this study, we have used London-Eyring-Polanyi-Sato (LEPS) functional form as an interaction potential energy function to simulate H (2H) -> Cu(1 1 1) interaction system The parameters of the LEPS function are determined in order to analyze reaction dynamics via molecular dynamics computer simulations of the Cu(1 1 1) surface and H/(2H) system. Nonlinear least-squares method is used to find the LEPS parameters. For this purpose, we use the energy points which were calculated by a density-functional theory method with the generalized gradient approximation including exchange-correlation energy for various configurations of one and two hydrogen atoms on the Cu(1 1 1) surface. After the fitting procedures, two different parameters sets are obtained that the calculated root-mean-square values are close to each other. Using these sets, contour plots of the potential energy surfaces are analyzed for H -> Cu(1 1 1) and 2H -> Cu(1 1 1) interactions systems. In addition. sticking, penetration, and scattering sites on the surface are analyzed by using these sets. (C) 2009 Elsevier B.V. All rights reserved.