Browsing by Author "Jellinek, Julius"

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D2 +Nin(T), n=7 and 9, Collision System
(1999) Böyükata, Mustafa; Durmuş, Perihan; Özçelik, Süleyman; Güvenç, Ziya Burhanettin; Jellinek, Julius
In this study the kinetics of reactions of Nin n=7 and 9, clusters with a deuterium D2 molecule are studied via quasiclassical molecular dynamics. Dissociative chemisorption probabilities as functions of impact parameters, collision energies, and a rovibrational state of a molecule are calculated. And the corresponding reactive cross sections are evaluated. Resonance formation in the low collision energy region is discussed.
Fragmentation of a Non-Rotating Ni19 Cluster: A Molecular Dynamics Study
(1999) Avcı, Halil; Çivi, Mehmet; Güvenç, Ziya Burhanettin; Jellinek, Julius
Collisionless fragmentation of a non-rotating Ni19 cluster is studied using constant-energy molecular dynamics computer simulations. The cluster is modelled by an embedded atom model (EAM) energy surface. Distribution of the channel-specific fragmentation probabilities, and global rate constants are computed and analyzed as functions of the internal energy of the cluster. The results are compared with those obtained using the RRK statistical approach, and also compared with the other multi-channel fragmentation work.
Citation - Scopus: 5
Structural Forms and Energies of NiN, N=12-14, Clusters
(Assoc Sci Res, 1999) Güvenç, Ziya B.; Güvenç, Dilek; Jellinek, Julius
Equilibrium structural forms of the $Ni_n$, n=12-14, clusters, as defined by an embedded-atom potential, are obtained using molecular dynamics and thermal quenching simulations. The isomers (locally stable geometric forms) are distinguished from those stationary structures that correspond to saddle points of the potential energy surface. Isomer statistics are obtained using a large number of initial quenching configurations generated along high-energy trajectories (the energies are high enough to "melt" the clusters). Probabilities of sampling the basins of attraction of the different isomers are computed and the spectra of their energies are analyzed.