Molecular-dynamics simulation of thin-film growth by energetic cluster impact

Molecular Dynamics Simulation of Al Energetic Nano Cluster Impact (ECI) onto the Surface

On the atomic scale, Molecular Dynamic (MD) Simulation of Nano Al cluster impact on Al (100) substrate surface has been carried out for energies of 1-20 eV/atom to understand quantitatively the interaction mechanisms between the cluster atoms and the substrate atoms. The many body Embedded Atom Method (EAM) was used in this simulation. We investigated the maximum substrate temperature Tmax  and...

Molecular dynamics simulation of thin film nucleation through molecular cluster beam deposition: Effect of incident angle

Deposition of organic cluster beams on solid substrates leads to the creation of thin films through rapid chemical reactions, which makes the process suitable for study by molecular dynamics (MD) simulations. In this work, angular effects of molecular organic beam deposition are studied extensively through classical MD simulations. The reactive empirical bond potential parameterized by Brenner ...

Investigation of Melting by Molecular Dynamics Simulation

The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...

Epitaxial Growth of Thin Films Studied by Molecular Dynamics Simulation

The epitaxial growth of atomic systems, interacting via the spherically symmetric Lcnnard-Jones potential is studied as a function of substrate temperature Ts and deposition rate. The calculations reveal the microscopic structure of thin films, and give insight into the dynamics of the adsorption process. For all substrate temperatures the growth is into well ordered layers which become fully c...

Molecular dynamics simulation of Al–Co–Cr–Cu–Fe–Ni high entropy alloy thin film growth