We present several multiscale quantum mechanical (QM), molecular mechanical (MM), and continuum mechanical (CM) schemes to study the strength properties of carbon nanotubes (CNTs) and graphene sheets. A bridging domain method based on overlapping domain-decomposition schemes using the Lagrange multipliers field is developed to couple an atomistic domain with a...
In this work, the processing of the superconductor MgB<sub>2</sub> was studied to create a fundamental scientific background for the production of superconducting composite wires. The synthesis of MgB<sub>2</sub> from Mg and B powders was investigated in situ to determine reaction rates and kinetic parameters for the application of powder-in-tube technology...