Molecular dynamics simulations for gas cluster ion beam processes

Epitaxial growth on gas cluster ion-beam processed GaSb substrates using molecular-beam epitaxy

Chemical mechanical polished ~CMP! ~100! GaSb substrates were processed using gas cluster ion beams ~GCIB! to improve surface smoothness, reduce subsurface damage, and produce a thermally desorbable oxide layer for molecular-beam epitaxy ~MBE! overgrowth. In this article, we report the growth of GaSb/AlGaSb epilayers on GCIB processed GaSb substrates. The substrates were processed using either ...

Investigation of Laser-Induced-Liquid- Beam-Ion-Desorption (LILBID) with Molecular Dynamics Simulations

Molecular Dynamics Simulations of Atomic Collisions for Ion Irradiation Experiments

An understanding of the way damage is formed during ion implantation of solids is very important in many research and industrial applications. One of the best ways to study damage formation theoretically is provided by molecular dynamics simulations, in which the movement of atoms is followed by solving numerically the equations of motion. The purpose of work described in this thesis has been t...

Gold-thiolate cluster emission from SAMs under keV ion bombardment: Experiments and molecular dynamics simulations

In this contribution the emission of gold-molecule cluster ions from self-assembled monolayers (SAMs) of alkanethiols on gold is investigated using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Layers of alkanethiols [CH3(CH2)nSH] with various chain lengths (n 1⁄4 8, 12, 16) have been chosen because they form well-ordered molecular monolayers on gold. First, we compare and interpre...

Computational fluid dynamics simulations for investigation of parameters affecting goaf gas distribution

It is necessary to obtain a fundamental understanding of the goaf gas flow patterns in longwall mine in order to develop optimum goaf gas drainage and spontaneous combustion (sponcom) management strategies. The best ventilation layout for a longwall underground mine should assist in goaf gas drainage and further reduce the risk of sponcom in the goaf. Further, in the longwall panel, regulators ...