Compression and stretching of a self-avoiding chain in cylindrical nanopores

Force-induced deformations of a self-avoiding chain confined inside a cylindrical cavity, with diameter D, are probed using molecular dynamics simulations, scaling analysis, and analytical calculations. We obtain and confirm a simple scaling relation -fD approximately R(-9/4) in the strong-compression regime, while for weak deformations, we find fD = -A(R/R0) + B(R/R0)(-2), where A and B are constants, f the external force, and R the chain extension (with R0 its unperturbed value). For a strong stretch, we present a universal, analytical force-extension relation. Our results can be used to analyze the behavior of biomolecules in confinement.