Browsing by Publisher "Amer Chemical Soc"

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Determination of complete melting and surface premelting pointsof silver nanoparticles by molecular dynamics simulation

Alarifi, H. A.; Atis, M.; Özdoğan, C.; Hu, A.; Yavuz, M; Zhou, Y (Amer Chemical Soc, 2013-06-13)

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. ...
The effects of lattice motion on Eley-Rideal and hot atom reactions: Quasiclassical studies of hydrogen recombination on Ni(100)

Güvenç, Ziya B.; Sha, Xianwei; Jackson, Bret (Amer Chemical Soc, 2002-08-22)

Quasiclassical methods are used to simulate the interactions of H or D atom beams with D- or H-covered Ni(100) surfaces. The Ni substrate is treated as a multilayer slab, and the Ni atoms are allowed to move. The model ...
The unusually stable B-100 fullerene, structural transitions in boron nanostructures, and a comparative study of alpha- and gamma-boron and sheets

Özdoğan, Cem; Mukhopadhyay, Saikat; Hayami, W.; Güvenç, Büşra; Pandey, Ravindra; Boustani, Ihsan (Amer Chemical Soc, 2010-03-18)

Solid alpha-B-12 rhombohedral and gamma-B-28 orthorhombic boron as well as boron nanostructures in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B-12 units were investigated using ab ...

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