We report non-equilibrium Molecular Dynamics simulations providing a nanoscale view for the modeling of shock wave generation, propagation and melting in single crystalline materials Fe, Ta, W, of clear interest for Nuclear Fusion Technology. Our methodology successfully uses massive parallel molecular dynamics in an attempt to cover similar times and length scales as laser-shock experiments. Response of the materials are analyzed in terms of modern atomistic visualization and evolution of their structural properties. Preliminary results point that Wand Ta behave more efficiently in terms of uniformity under shock propagation than lighter materials like Fe. This kind of materials must attract our attention in the short term as possible designs in inertial confinement fusion (ICF) targets.