In this study, we have investigated radius dependence of hydrogen storage within armchair (n,n) single walled carbon nanotubes (SWCNT) in a square arrays. To this aim, we have employed equilibrium molecular dynamics (MD) simulation. Our simulations results reveal that radius of carbon nanotubes are an important and influent factor in hydrogen distribution inside carbon nanotubes and consequentl...

Bluff body calculation was accelerated by using a special-purpose computer, MDGRAPE-2, that was exclusively designed for molecular dynamics simulations. The three main issues were solved regarding the implementation of the MDGRAPE-2 on vortex methods. These issues were the efficient calculation of the Biot-Savart and stretching equation, the optimization of the table domain, and the round-off e...