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We use large scale molecular dynamics simulations of the isomerizations ofazobenzene molecules diluted inside a simple molecular material, to investigatethe effect of a modification of the cis isomer shape on the induced diffusionmechanism. To this end we simulate incomplete isomerizations, modifying theamplitude of the trans to cis isomerization. We find thresholds in theevolution of the host molecules mobility with the isomerization amplitude, aresult predicted by the cage- breaking mechanism hypothesis (Teboul, V.;Saiddine, M.; Nunzi, J.M.; Accary, J.B. J. Chem. Phys. 2011, 134, 114517) andby the gradient pressure mechanism theory (Barrett, C.J.; Rochon, P.L.;Natansohn, A.L. J. Chem. Phys. 1998, 109, 1505-1516. ). Above the threshold thediffusion then increases linearly with the variation of the chromophore sizeinduced by the isomerization.

Stimuli Thresholds for Isomerization-induced Molecular Motions in Azobenzene Containing Materials