No abstract

Density Functional Based Tight-Binding (DFTB) molecular dynamics (MD) simulations were performed for producing carbon nanotubes from graphene nanoribbons. The constant temperature simulations were controlled with the help of Nosé-Hoover thermostat. In our systematic study we obtained critical curvature energies and determined topological conditions for nanotube production from two parallel graphene nanoribbons. We obtained linear relationship between the curvature energy and the square of the curvature.

No abstract

With the help of our molecular dynamics simulation we want to motivate emerging and development of technological methods for building of carbon nanostructure networks. We shall study self-organizing behaviors of graphene nanoribbons in Y-junctions. We determine the conditions for perfect formation of nanotube Yjunctions from parallel nanoribbons. The role of graphene nanolithography in nanoribbon network and nanotube network production is studied. Our simulations show the possibility of nanotube network realization as well.

Within the framework of the WINPAR project the WINPAR integrated software development environment for parallel programming was elaborated. To make the WINPAR environment easy to use and easy to learn, a web site for development tools and environment was created. It provides information on the WINPAR project, on project partners and on on-line manuals and on-line tutorials of the WINPAR environment. The on-line manual is "slide-show" that presents services and usage of each tool showing how to use them step-by-step. The composition of the tutorial is similar to the on-line manual of tools, but in the on-line tutorial emphasise is placed on solving the problem not on how to use the tools. A mathematical problem was selected which can show the way of developing a parallel application. The Poisson problem is a simple partial differential equation that is at the core of many applications.