Material Dynamics and Properties

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• SARP KAYA

In order to increase the accuracy of classical computer simulations, existing methodologies may need to be adapted. Hitherto, most force fields employ a truncated potential function to model van der Waals interactions, sometimes augmented with an analytical correction. Although such corrections are accurate for homoge…

• AHMET YILDIRIM

A molecular dynamics simulation based on the embedded-atom method was conducted at different sizes of single-crystal Ag nanoparticles (NPs) with diameters of 4 to 20 nm to find complete melting and surface premelting points. Unlike the previous theoretical models, our model can predict both complete melting and surfac…

• CEM ÖZDOĞAN

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• MELİKE BİLGİ KAMAÇ

We have developed mesoscale models for polystyrene (PS) oligomers in various environments following the Iterative Boltzmann Inversion Technique. Bond, bending angle, torsion angle distributions, and radial distribution functions between PS monomers show that local structures were reproduced very well, while a small di…

• BESTE BAYRAMOĞLU

We study within a mean-field approach the stationary states of the kinetic spin-1 Blume-Capel model in the presence of a time-dependent oscillating external magnetic field. We use the Galuber-type stochastic dynamics to describe the time evolution of the system. We have found that the behavior of the system strongly d…

• ÜMÜT TEMİZER

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The nanoscopic structure of the cores of topological defects in anisotropic condensed matter is an unresolved issue, although a number of theoretical predictions have been reported. In the experimental study reported in this Letter, we template the assembly of amphiphilic molecules from the cores of defects in liquid…

• EMRE BÜKÜŞOĞLU

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• ÖZLEM DUVARCI
• ŞEBNEM TAVMAN

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• ŞEBNEM TAVMAN

The effect of crystal growth conditions on the O K-edge x-ray absorption spectra of ice is investigated through detailed analysis of the spectral features. The amount of ice defects is found to be minimized on hydrophobic surfaces, such as BaF2(111), with low concentration of nucleation centers. This is manifested thr…

• SARP KAYA