Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12416/8651
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Article Citation - WoS: 24Citation - Scopus: 24Molecular Dynamics Simulation of the Melting Behaviour of 12-, 13-, 14-Atom Icosahedral Platinum Clusters(Iop Publishing Ltd, 2004) Sebetci, A; Guvenc, ZBUsing the molecular dynamics simulation technique, we have studied the melting behaviour of free, icosahedral Pt-N clusters in the size range of N = 12-14. The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously, has been employed in this study. We present an atom-resolved analysis method that includes physical quantities such as the root mean square bond-length fluctuation and coordination number for individual atoms as functions of temperature. The results show that while the 13-atom icosahedron and the 12-atom cluster with a vacancy on the icosahedral surface exhibit one-stage melting, the 14-atom cluster with an adatom on the icosahedral surface undergoes two-stage melting, as the temperature increases.Article Citation - WoS: 3Citation - Scopus: 3Collisionless Fragmentation of Non-Rotating Nin (n=4-14) Clusters: a Molecular Dynamics Study(Iop Publishing Ltd, 2003) Avci, H; Çivi, M; Güvenç, ZB; Jellinek, JCollisionless fragmentation of non-rotating Ni-n (n = 4-14) clusters is studied using micro-canonical molecular dynamics (MD) computer simulations. The clusters are modelled by an embedded-atom potential energy surface. The distributions of the channel-specific fragmentation probabilities, and the global and channel-specific fragmentation rate constants are computed and analysed as functions of the internal energy and size of the clusters. The trends derived from the dynamical calculations are compared to the fragmentation energy patterns, those of the Rice-Ramsperger-Kassel (RRK) and statistical approaches. The rate constants are an order of magnitude smaller for the RRK model than with both the MD and transition-state theory approaches. The results are also compared with the other multi-channel fragmentation works.Article Citation - WoS: 49Citation - Scopus: 49Global Minima of Aln, Aun and Ptn, N≤80, Clusters Described by the Voter-Chen Version of Embedded-Atom Potentials(Iop Publishing Ltd, 2005) Sebetci, A; Güvenç, ZBWe report the global minima for aluminium, gold and platinum metal clusters modelled by the Voter-Chen version of the embedded-atom model potential containing up to 80 atoms using the basin-hopping Monte Carlo minimization approach. The results show that the global minima of the Al, Au and Pt clusters have structures based on either octahedral, decahedral, icosahedral or a mixture of decahedral and icosahedral packing. The 54-atom icosahedron without a central atom is found to be more stable than the 55-atom complete icosahedron for all of the elements considered in this work. Most of the Al global minima are identified as face-centred cubic structures and many of the An global minima are found to be low symmetric structures, both of which are in agreement with the previous theoretical and experimental Studies. Although many of the Pt global minima are identical with the global minima of the corresponding Au clusters, the most stable sizes of the Pt clusters correspond to the same sizes of the Al clusters.Article Citation - WoS: 7Citation - Scopus: 9A Novel Zero-Dead Sample Loading Interface for Microfluidic Devices: Flexible Hydraulic Reservoir (Fhr)(Iop Publishing Ltd, 2018) Cetin, Barbaros; Yildirim, Ender; Hatipoglu, UtkuInfusing minute amounts of valuable liquids such as samples to microfluidic chips by using common pumping schemes such as syringe pumps often result in an excessive dead-volume. We present a simple yet effective sample loading interface, which helps by pumping the sample to the chip by using the hydraulic pressure generated by the syringe pump. Results show that sample volumes as low as 25 mu l can be delivered at flow rates ranging between 10-30 mu l min(-1). Maximum dead volume ratio was observed to be 3% when infusing 200 mu l of sample at 10 mu l min(-1).Article Citation - WoS: 4Citation - Scopus: 7Enhanced Gradient Crystal-Plasticity Study of Size Effects in a Β-Titanium Alloy(Iop Publishing Ltd, 2017) Nowag, Kai; Roy, Anish; Ghisleni, Rudy; Michler, Johann; Silberschmidt, Vadim V.; Demiral, MuratA calibrated model of enhanced strain-gradient crystal plasticity is proposed, which is shown to characterize adequate deformation behaviour of bcc single crystals of a beta-Ti alloy (Ti-15-3-3-3). In this model, in addition to strain gradients evolving in the course of deformation, incipient strain gradients, related to a component's surface-to-volume ratio, is accounted for. Predictive capabilities of the model in characterizing a size effect in an initial yield and a work-hardening rate in small-scale components is demonstrated. The characteristic length-scale, i.e. the component's dimensions below which the size effect is observed, was found to depend on densities of polar and statistical dislocations and interaction between them.Article Citation - WoS: 33Citation - Scopus: 38Void Growth in High Strength Aluminium Alloy Single Crystals: a Cpfem Based Study(Iop Publishing Ltd, 2017) Siddiq, M. Amir; Demiral, Murat; Asim, UmairHigh strength aluminium alloys that are produced through forming and joining processes are widely used in aerospace components. The ductile failure in these metals occurs due to the evolution and accumulation of microscopic defects, such as microvoids and shear bands. The present work investigates the underlying physical mechanisms during ductile failure by performing a rigorous, fully-validated, three-dimensional crystal plasticity, finite element study with aluminium alloy single crystals. Representative volume element (RVE) based simulations of single crystalline aluminium alloys (AA-5xxx) with different void geometries and orientations have been performed. Both local and nonlocal crystal plasticity constitutive models have been implemented in a finite element framework and are used to seek new insights into the interrelationships among void growth, initial porosity, initial void size, plastic anisotropy, and local/nonlocal size effects.Article Citation - WoS: 4Citation - Scopus: 4Transmission of a Bessel Beam Through a Circular Aperture in an Impedance Screen(Iop Publishing Ltd, 2014) Umul, Yusuf ZiyaThe scattering effect of a circular aperture, located in an impedance plane, on a Bessel beam is investigated by decomposing the scattered wave into two subcomponents, namely the geometrical optics and diffracted fields. The diffracted waves are investigated with the aid of the geometrical theory of diffraction. The detour parameter is evaluated and the existence zones of the geometrical optics fields are determined. The various aspects of the reflected and transmitted scattered waves, including the self healing of the beam, are studied numerically.Article Citation - Scopus: 1Surface Modification by 1 Kev Ion Impact: Molecular Dynamics Study of an Ar<sup>+</Sup>-ni(100) Collision System(Iop Publishing Ltd, 2008) Atis, Murat; Guvenc, Ziya B.; Ozdogan, CemAn Ar+-Ni(1 0 0) collision system at 1 keV impact energy was investigated by using realistic isoenergetic molecular dynamics (MD) simulations. The sputtering process upon Ar+ ion impact and damage to the Ni(1 0 0) surface are examined in detail. Studying of high bombarding energy regions leads to the necessity of larger and thick enough slabs, otherwise incoming ions can easily pass through the slab; as a result, investigated physical properties may not be revealed. In addition the simulation time should be long enough to observe and to calculate a reliable macroscopic property such as sputtering yield that is addressed in this study. In order to preserve the total energy in the simulation at this collision energy a small time-step (0.1 fs) is used. We have made use of our developed linear scaling parallel MD program to overcome these demands. The Ni(1 0 0) slab is formed by 63700 atoms (122 angstrom x 122 angstrom x 44 angstrom) and the total observation time for each collision event is about 2.25 ps. Several properties such as penetration depths, angular and energy distributions of the reflected Ar and sputtered Ni atoms as well as dissociation time, embedded, scattering, sputtering patterns and geometries of the sputtered clusters are also reported, and the calculated sputtering yield is found to be in good agreement with the available experimental results.Article Citation - WoS: 9Citation - Scopus: 10Structures and Melting of Agn (N = 7, 12-14) Clusters(Iop Publishing Ltd, 2005) Atis, M; Aktas, H; Güvenç, ZBWe have studied the most stable structures of Ag-N (N = 7, 12, 13, 14) clusters and investigated their binding energies and melting behaviours using molecular dynamics and thermal quenching methods based on the Voter-Chen version of the embedded atom method. The melting like transition is described in terms of atom resolved root-mean-square bond length fluctuations, specific heats, coordination numbers and short-time averaged temperatures. Some of these diagnostic tools are also used for the overall behaviour of the clusters. The results are compared with the relevant literature.Article Citation - WoS: 18Citation - Scopus: 18Differences in Melting Behaviours of Disordered and Symmetric Clusters: Aun(n=54-56)(Iop Publishing Ltd, 2006) Yildirim, E. K.; Guvenc, Z. B.We have investigated the melting behaviours of disordered and symmetric gold clusters (Au-N, N = 54 - 56) by means of molecular dynamics simulations. We have found that there is no single isolated lowest energy structure for this size of Au clusters. Instead there are many nearly degenerate disordered low lying structures. The melting behaviours of these disordered structures showed that the melting occurs as a gradual process in which initially, behaviours of the surface and the inner atoms are quite different from each other, and they do not mix until the beginning of the melting. On the other hand, the symmetric forms of the Au-N ( N = 54 - 56) present different melting behaviours from those of the corresponding disordered structures. Their melting occurs suddenly, i.e. over a very short temperature interval. During the heating of these symmetric forms no phase changes occur until the melting temperature at which melting occurs as a collective motion of all the atoms in the cluster. On the other hand, the phase changes in the disordered structures take place as a result of both collective motions of all the atoms in the cluster, and as local displacements of the atoms.