T
Timur Halicioglu
Researcher at Center for Turbulence Research
Publications - 7
Citations - 2061
Timur Halicioglu is an academic researcher from Center for Turbulence Research. The author has contributed to research in topics: Carbon nanotube & Carbon. The author has an hindex of 5, co-authored 7 publications receiving 1835 citations.
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Journal ArticleDOI
On the Water−Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes
TL;DR: In this paper, a linear relationship between the contact angle and the water monomer binding energy on graphite was established and a new route to calibrate interaction potential parameters was presented, which was obtained by applying a carbon−oxygen Lennard-Jones potential with parameters eCO = 0.392 kJ mol-1 and σCO = 3.19 A.
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Carbon Nanotubes in Water: Structural Characteristics and Energetics
TL;DR: In this article, the structural properties of water surrounding a carbon nanotube using molecular dynamics simulations were studied, and it was shown that the presence of water has a negligible influence on the breathing frequency.
Journal ArticleDOI
Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon Nanotubes
T. Werder,Jens Honore Walther,Richard L. Jaffe,Timur Halicioglu,Flavio Noca,Petros Koumoutsakos +5 more
TL;DR: In this paper, the behavior of water droplets confined in a carbon nanotube by means of parallel molecular dynamics simulations was studied by using a parallel simulation approach, and radial density profiles, radial hydrogen bond distributions, and contact angles for tube radii ranging from 125 to 375 A and for droplets containing up to 4632 water molecules were obtained.
Journal ArticleDOI
Hydrophobic hydration of C60 and carbon nanotubes in water
Jens Honore Walther,Richard L. Jaffe,E. M. Kotsalis,T. Werder,Timur Halicioglu,Petros Koumoutsakos +5 more
TL;DR: In this article, the authors perform molecular dynamics simulations to study the hydrophobic-hydrophilic behavior of pairs of C 60 fullerene molecules and single wall carbon nanotubes in water.