Computational studies of ultraviolet ablation of poly(methyl methacrylate)

The results from our recent molecular dynamics and electronic calculations studies of the interaction of ultraviolet light with poly(methyl methacrylate) are discussed. Molecular dynamics simulations in the photochemical and photothermal regimes demonstrate the delayed onset of ablation due to the slow pressure relaxation in the polymeric material. Electronic structure calculations show the possible wavelength-dependent pathways of exothermic and endothermic release of gaseous and small molecules which could induce the ablation pocess. The results from our studies are the centerpiece for the current development of the mesoscale model of the light irradiation of polymeric material.