Molecular dynamics simulation of polymerlike thin films irradiated by fast ions: A comparison between FENE and Lennard-Jones potentials

Solvation pressure in a Lennard-Jones fluid by molecular dynamics simulation

We present molecular dynamics simulations of a simple dimer immersed in a Lennard-Jones LJ fluid to test the validity of the solvation pressure model in a system where we attempt to isolate the general and ubiquitous solvation pressure. The solvated dimer acts as a simple pressure gauge in a system where the cohesive energy density CED of the solvent is fixed. We study the dimer bond length as ...

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 for the formation of magic-number clusters with a Lennard-Jones potential.

architecture and engineering of nanoscale sculptured thin films and determination of their properties

چکیده ندارد.

Molecular Dynamics Simulations Beyond the Lennard- Jones Particles

The computational power of computers available to students has increased to the point that it is now feasible to build interactive molecular dynamics (MD) simulations that can be used in education [1]. Observing important physical processes, such as diffusion, phase transitions, selfassembly, chemical reactions and so on, emerging from the time evolution of an atomic-scale model was found usefu...