Nonequilibrium relaxation times in polymer knot groups.
نویسندگان
چکیده
Flexible polymer knots with strict topological constraint of no segment crossing are studied by Monte Carlo simulations. The nonequilibrium relaxation time of an equilibrated polymer knot cut at one point to relax to a linear chain is measured. Prime knots up to 20 essential crossings from the groups (3(1),5(1),7(1),...), (4(1),6(1),8(1),...) and (5(2),7(2),9(2),...), (6(2),8(2),10(2),...) are studied. The nonequilibrium relaxation time for knots within a group are found to increase stepwise linearly with the number of essential crossings of the original knot. Our results suggest an equally spaced topological interaction energy spectrum for knots in the same group and thus provide a quantitative description of topological interactions.
منابع مشابه
Structure and dynamics of dilute polymer solutions under shear flow via nonequilibrium molecular dynamics
We present and discuss data obtained by an extensive nonequilibrium molecular dynamics computer simulation study of polymer solutions under shear, where the chain consists of N beads connected by a finitely extendable nonlinear elastic (FENE) spring force and the solvent is explicitly taken into account. Various scaling laws are extracted from the data which allow one to predict the qualitative...
متن کاملNonequilibrium thermodynamics of dilute polymer solutions in flow.
Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric ...
متن کاملConcentration and Size Dependence of Dielectric Strength and Dielectric Relaxation of Polymers in Solutions of a Θ Solvent via Molecular Dynamics Simulations
We consider the dielectric strength and dielectric relaxation of dilute and semidilute solutions of polymers in a Θ solvent. A molecular dynamics technique is employed and the simulation results are contrasted with dielectric spectroscopy measurements, providing an insight into the molecular factors that affect the experimental behavior. The relation between the dielectric strength and the end-...
متن کاملNondriven polymer translocation through a nanopore: computational evidence that the escape and relaxation processes are coupled.
Most of the theoretical models describing the translocation of a polymer chain through a nanopore use the hypothesis that the polymer is always relaxed during the complete process. In other words, models generally assume that the characteristic relaxation time of the chain is small enough compared to the translocation time that nonequilibrium molecular conformations can be ignored. In this pape...
متن کاملNonequilibrium tube length fluctuations of entangled polymers
We investigate the nonequilibrium tube length fluctuations during the relaxation of an initially stretched, entangled polymer chain. The time-dependent variance σ 2 of the tube length follows in the early-time regime a simple universal power law σ 2 = A √ t originating in the diffusive motion of the polymer segments. The amplitude A is calculated analytically both from standard reptation theory...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Physical review letters
دوره 87 17 شماره
صفحات -
تاریخ انتشار 2001