Abstract
ABSTRACTWe present a mesoscale model that describes the tensile stress of silica-filled polydimethylsiloxane (PDMS) under elongation. Atomistic simulations of a single chain of PDMS, interacting with itself and/or a hydroxylated silica surface provide estimates of the microscopic forces required to stretch or uncoil a chain of PDMS, or detach it from a silica surface Using these results, we develop a mesoscale, inter-particle strength model for uncrosslinked, silica-filled PDMS. The strength model includes these atomistic forces, as determined from the simulations, a small entropic component, and a Gaussian probability distribution to describe the distribution of chain lengths of PDMS strands connecting two silica particles and the chain lengths in the free ends. We obtain an analytic stress/strain expression whose predictions agree with experiment.
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