Molecular dynamics (MD) simulations are reported for a Lennard-Jones fluid adsorbed into a model silica gel to study the dynamic properties of the adsorbed methane molecules. The mean-square displacement and velocity ...

We study self-assembly of a binary mixture of components A and B confined in a slit-like pore with the walls modified by the stripes of tethered brushes made of beads of a sort A. The emphasis is on solvent mediated ...

We consider two models for the etching processes using numerical simulations based on cellular-automata discrete-lattice approach. In one model we use a uniform etching probability for each surface site. In another model ...

The scaled particle theory is applied to a description of thermodynamic properties of one-dimensional hard rod fluid in disordered porous media. To this end, we extended the SPT2 approach, which had been developed previously. ...

The properties of model solutions consisting of a solute — single curcumin molecule in water, methanol and dimethyl sulfoxide solvents have been studied using molecular dynamics (MD) computer simulations in the isobari ...

Self-irradiation damages resulting from fission processes are common phenomena observed in nuclear fuel containing (NFC) materials. Numerous α-decays lead to local structure transformations in NFC materials. The damages ...