Low-temperature control of nanoscale molecular dynamics

Molecular Dynamics Simulation of Nanoscale Machining

Molecular Dynamics Simulation of Nanoscale Tribology

A slider-slab sliding model for hard-to-soft and soft-to-soft sliding systems with abrasive and non-abrasive wear conditions is used to investigate atomic-scale friction. The molecular dynamics simulation uses the Morse potential to calculate interatomic forces between atoms. Separation distance between the slider and the slab is changed to simulate repulsive and attractive interactive force fi...

Formation of Low Temperature Self-Organized Nanoscale Nickel Metal Islands Formation of Low Temperature Self-Organized Nanoscale Nickel Metal Islands

The growth and evolution of nanometer sized Ni metal islands deposited under low temperature non-UHV conditions as a function of metal layer thickness, growth temperature and time is reported. The temperature of formation of the islands has been intentionally kept low for possible applications in flat panel display technology and also to act as a catalyst for carbon nanotube growth. It is shown...

Molecular Dynamics for Low Temperature Plasma-Surface Interaction Studies

The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms through integration of atomic equations of motion, using inter-atomic potentials that can account for bond breaking and formation that result when energetic speci...

Molecular dynamics simulation of interaction of Melittin and DMPC bilayer: Temperature dependence

The interaction between proteins and membranes has an important role in biological pro-cesses.We have calculated energies of interaction between Melittin and DMPC bilayer in differenttemperatures. We have used the CHARMM software for MD simulation under the canonical (N,V, E) ensemble at different temperatures. The computations have shown that water moleculeshave more penetration into the bilay...