Structure of liquid metals.

Mahadi, Mohamed


Stability of carbon nanotubes and nanorods under heat theatment : Molecular dynamics simulations
Malcıoğlu, Osman Barış; Erkoç, Şakir; Department of Physics (2003)
Stability of gold clusters: molecular-dynamics simulations
Erkoç, Şakir (2000-09-01)
Structural stability and energetics of gold clusters, Au, (n = 3-555), have been investigated by molecular-dynamics simulations. An empirical model potential energy function has been used in the simulations. Stable structures of the microclusters for n = 3-13 have been determined by molecular-dynamics simulation. It has been found that gold microclusters prefer to form three-dimensional compact structures. Molecular-dynamics simulations have also been performed for spherical gold clusters generated from FCC...
Structure of three wave parametric instability in an inhomogeneous magnetized plasma.
Gürer, Emir; Department of Physics (1984)
Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements
Mazzarello, R.; Cossaro, A.; Verdini, A.; Rousseau, R.; Casalis, L.; Danışman, Mehmet Fatih; Floreano, L.; Scandolo, S.; Morgante, A.; Scoles, G. (2007-01-05)
We have investigated the controversy surrounding the (root 3x root 3)R30 degrees structure of self-assembled monolayers of methylthiolate on Au(111) by first principles molecular dynamics simulations, energy and angle resolved photoelectron diffraction, and grazing incidence x-ray diffraction. Our simulations find a dynamic equilibrium between bridge site adsorption and a novel structure where 2 CH3S radicals are bound to an Au adatom that has been lifted from the gold substrate. As a result, the interface ...
Stability of carbon nanoonion C-20@C-60@C-240: Molecular dynamics simulations
Erkoç, Şakir (2002-03-01)
The structural stability of carbon nanoonion C-20@C-60@C-240 has been investigated by performing molecular dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that carbon nanoonion is not so resistive against heat treatment, nor is it as strong as isolated single carbon nanoballs. Although single nanoballs resist heat treatment up to 4300 K, nanoonion disintegrates after 2600 K.
Citation Formats
M. Mahadi, “Structure of liquid metals.,” Middle East Technical University, 1986.