Adhesion forces of Dipalmitoylphosphatidylcholine (DPPC) membrane in the gel phase are investigated by molecular dynamics (MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane....

Studies of single particle dynamics of water confined in silica pores performed with computer molecular dynamics and inelastic neutron scattering are presented. In the computer study for the highest hydrations two dynamical regimes are found: close to the hydrophilic substrate molecules are...

Using the liquid state thermodynamic perturbation theory and the hard-sphere fluid as the reference system, the liquid–glass transition line of Lennard–Jones and hard-core Yukawa fluids is computed. The results are presented both in the reduced density vs. reduced temperature and in the...

In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as “democratic clusters” or d-clusters...

In this work we study the dissipative dynamics of a system of smooth hard spheres with a constant restitution coefficient and small number of particles in the homogeneous cooling regime. We focus on the velocity distribution from simulations in the Molecular Dynamics approach. The main goal of...

We provide a physical insight into the mechanism of the bulk viscosity ζ and construct a new expression of ζ directly from microscopic information such as the interatomic potential and the pair distribution function. This is an outstanding advantage when compared to the previously proposed...

Electro-osmotic flow of an aqueous solution of NaCl has been studied using the molecular dynamics simulation. The main objective of this work is to investigate the effects of the electric field and temperature on the flow properties considering the role of the stern layer. By increasing any of...