Böckmann M1, Doltsinis NL1.
J Chem Phys. 2016 Oct 21;145(15):154701.The light-induced surface modification of a thin film of poly-(disperse orange-3-methylmethacrylate) is investigated computationally using atomistic molecular dynamics simulations specifically tailored to include photoisomerization dynamics. For a model surface consisting of a periodic pattern of alternating irradiated and dark spots, it is shown that repeated photoisomerization in the irradiated areas initially leads to a local temperature increase and a raised surface profile accompanied by a migration of molecules away from the bright spots. Read More