Bilgisayar Mühendisliği Bölümü Yayın Koleksiyonu

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/253

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  • Conference Object
    Citation - WoS: 12
    Citation - Scopus: 14
    Reactions of Small Ni Clusters With a Diatomic Molecule: Md Simulation of D2+nin (n=7-10) Systems
    (Elsevier Science Bv, 2000) Durmus, P; Böyükata, M; Özçelik, S; Güvenç, ZB; Jellinek, J
    The kinetics of the reactions of nickel clusters with a deuterium molecule are studied, Dissociative chemisorption probabilities of the D(2) molecule on the small Ni(n) (n=7-10) clusters are computed by a quasi-classical molecular dynamics computer simulation technique. Structures of the clusters are obtained by an embedded-atom potential, and the interaction between the D(2) and Ni(n) is modelled by an LEPS (London-Eyring-Polanyi-Sato) function (energy surface). This analysis includes the chemisorption probabilities as functions of the impact parameter and of the relative translational energy of the D(2). The corresponding reactive cross-sections for the ground state of the molecule are calculated as functions of the collision energy and the size of the cluster. The role of the size of the clusters is examined. An indirect mechanism to the reaction, which involves formation of molecular adsorption as precursors to dissociative adsorption in the low collision energy region (less than 0.1eV), is observed. Results are discussed by comparing with the other similar theoretical and experimental studies. (C) 2000 Elsevier Science B.V. All rights reserved.
  • Conference Object
    Citation - WoS: 8
    Citation - Scopus: 7
    Sputtering Yield and Dynamical Analysis of Ni(100) Surface: a Comparison of Four Different Ar-Surface Interaction Potentials
    (Elsevier Science Bv, 2000) Güvenç, ZB; Hundur, Y; Hippler, R
    The sputtering process of the Ar + Ni(100) collision system is investigated by means of constant energy molecular dynamics simulations. The Ni(100) is mimicked by an embedded-atom potential, and the interaction between the projectile and the surface is modelled by using four different screened Coulomb type potentials. The Ni atom emission from the lattice is analysed over the range of 10-40 eV collision energy. The maximum penetration depths of Ar, probability distributions of kinetic energy of the reflected Ar, and energy of the Ar and sputtered Ni atoms in the same collision events are evaluated as functions of the impact energy and sputtering time. Further, angular distributions of the scattered Ar are obtained. The calculated sputtering yields are compared with the available theoretical and experimental data. (C) 2000 Elsevier Science B.V. All rights reserved.