Abstract:Multiscale methods to span the scales from quantum mechanics to practical issues of functional assembly are enabling first principles predictions to guide and complement the experimental developments by designing and optimizing computationally the electronic and structural defects related systems with the requisite properties. In this presentation, firstly the effects of various radiation on materials will be elaborated. Secondly, multiscale approaches are employed to investigate the transformation of carbon nanostructures under high power photon radiation.
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