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.
FAS Center for Systems Biology, Harvard University, 7 Divinity Avenue, Cambridge, Massachusetts 02138, USA.
Suckjoon
S
Jun
D
D
Thirumalai
Bae-Yeun
BY
Ha
D019245:Compressive Strength; D003198:Computer Simulation; D004548:Elasticity; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D013816:Thermodynamics
D011108:Polymers; D011506:Proteins