Sodium diffusion through amorphous silica surfaces: a molecular dynamics study.

We have studied the diffusion inside the silica network of sodium atoms initially located outside the surfaces of an amorphous silica film. We have focused our attention on structural and dynamical quantities, and we have found that the local environment of the sodium atoms is close to the local environment of the sodium atoms inside bulk sodo-silicate glasses obtained by quench. This is in agreement with recent experimental results.

Voro3D: 3D Voronoi tessellations applied to protein structures.

Unlabelled: Voro3D is an original easy-to-use tool, which provides a brand new point of view on protein structures through the three-dimensional (3D) Voronoi tessellations. To construct the Voronoi cells associated with each amino acid by a number of different tessellation methods, Voro3D uses a protein structure file in the PDB format as an input. After calculation, different structural properties of interest like secondary structures assignment, environment accessibility and exact contact matrices can be derived without any geometrical cut-off.

Anomalous low-field classical magnetoresistance in two dimensions.

The magnetoresistance of classical two-dimensional electrons scattered by randomly distributed impurities is investigated by numerical simulation. At low magnetic fields, we find for the first time a negative magnetoresistance proportional to |B|. This unexpected behavior is shown to be due to a memory effect specific for backscattering events, which was not considered previously.

Nonatomic solvent-driven Voronoi tessellation of proteins: an open tool to analyze protein folds.

A three-dimensional Voronoi tessellation of folded proteins is used to analyze geometrical and topological properties of a set of proteins. To each amino acid is associated a central point surrounded by a Voronoi cell. Voronoi cells describe the packing of the amino acids.

Dangling bond deflection model: growth of gel network with loop structure.

It has been shown that the closed-loop structure in the model gel networks is responsible for their stiffness. However, the creation of loops has been underestimated in most of the existing kinetic aggregation models [e.g.