Search results for "Gyration"

1978

Theoretical relations for the dependence of the z-average radius of gyration Rz as a function of the mass average molar mass Mw are derived for expanded coils, persistence coils with persistence of direction, persistence coils with persistence of direction and curvature, and for needles, all exhibiting a Schulz-distribution of their molar masses. These relations are applied to experimental data from light scattering of polystyrene in toluene and DNA-Na in aqueous NaCl-solution of 200 mol NaCl per m3 at room temperature. In the case of DNA it becomes evident that the double helix shows no important persistence of curvature and that the experimental data can be described adequately by a persi…

Simulation of the glass transition in polymeric systems: Evidence for an underlying phase transition?

1998

Abstract The bond fluctuation model of polymer chains on sc lattices with an energy that favours long bonds can describe the slowing down of supercooled melts that approach the glass transition in qualitative similarity with various experiments. In this paper we focus on the question of whether there exists a correlation length that increases to large values when the temperature is lowered towards the glass transition. Two types of analysis are presented: firstly density oscillations near hard walls become long range, and the resulting correlation length becomes larger than the gyration radius, secondly oscillations in the pair correlation function in real space also become long range, and …

Semiflexible Polymers Interacting with Planar Surfaces: Weak versus Strong Adsorption

2020

Semiflexible polymers bound to planar substrates by a short-range surface potential are studied by Molecular Dynamics simulations to clarify the extent to which these chain molecules can be considered as strictly two-dimensional. Applying a coarse-grained bead-spring model, the chain length N and stiffness &kappa

Enhanced Nonadiabaticity in Vortex Cores due to the Emergent Hall Effect.

2016

We present a combined theoretical and experimental study, investigating the origin of the enhanced non-adiabaticity of magnetic vortex cores. Scanning transmission X-ray microscopy is used to image the vortex core gyration dynamically to measure the non-adiabaticity with high precision, including a high confidence upper bound. Using both numerical computations and analytical derivations, we show that the large non-adiabaticity parameter observed experimentally can be explained by the presence of local spin currents arising from a texture-induced emergent Hall effect. This enhanced non-adiabaticity is only present in two- and three-dimensional magnetic textures such as vortices and skyrmions…

Resonant scattering in macromolecular structure research. Applications in molecular biology and material science

1983

Abstract This report concerns the X-ray resonance scattering work carried out using the instrument X15 which receives synchrotron radiation from the storage ring DORIS. X15 covers a wavelength range from 0.6 to 3.3 A. It therefore accesses resonance scattering at the K-absorption edges of the elements with Z = 20 (Ca) to Z = 42 (Mo) and at the L 3 -absorption edges from Z = 50 (Sn) to all heavier atoms. The instrument consists of a double monochromator with a vertical offset of the beam by 1.22 m and a camera of 10 m length. A multiwire proportional chamber (from A. Gabriel) at the end of the evacuated beam line detects the scattered X-ray photons on its area 200 mm × 200 mm. The distances …

Out of Equilibrium Characteristics of a Forced Translocating Chain through a Nanopore

2009

Polymer translocation through a nano-pore in a thin membrane is studied using a coarse-grained bead-spring model and Langevin dynamics simulation with a particular emphasis to explore out of equilibrium characteristics of the translocating chain. We analyze the out of equilibrium chain conformations both at the $cis$ and the $trans$ side separately either as a function of the time during the translocation process or as as function of the monomer index $m$ inside the pore. A detailed picture of translocation emerges by monitoring the center of mass of the translocating chain, longitudinal and transverse components of the gyration radii and the end to end vector. We observe that polymer confi…

Phase Transitions in Polymeric Systems

1995

The study of collective phenomena in polymeric systems is a particular challenge,because there occurs structure simultaneously on many length scales. Restricting attention to neutral flexible linear macromolecules, we disregard here interesting problems like polyelectrolytes, stiff chains or chains with stiff parts, branched chains and polymer networks, and all combinations thereof including e.g. liquid crystalline polymers, and treat only the simplest case. But already then there occurs structure from the scale of a covalent bond along the backbone of a chain (~ 1 A) over the scale of the persistence length (~ 10 A) to the coil gyration radius R g (~ 102 A), in the description of a single …

Dynamics of Polymer Chains Confined in Slit-Like Pores

1996

Monte Carlo simulations of an off-lattice bead spring model of polymer chains are presented, confining the chains between two repulsive parallel planes a distance D apart. Varying the chain length N from N = 16 to N = 128, we show that under good solvent conditions the chains behave like two-dimensional self-avoiding walks, their mean square gyration radius scales as (R g 2 ) N 2v with v = 3/4. The density profile across the slit is independent of N and maximal in the center of the slit. The dynamical properties of the chains are found to be in full agreement with the Rouse model with excluded volume in d = 2 dimensions, the relaxation times vary like τ N Z with z = 2v +1 = 5/2, the diffusi…

Star polymers confined in a nanoslit: a simulation test of scaling and self-consistent field theories

2013

The free energy cost of confining a star polymer where f flexible polymer chains containing N monomeric units are tethered to a central unit in a slit with two parallel repulsive walls a distance D apart is considered, for good solvent conditions. Also the parallel and perpendicular components of the gyration radius of the star polymer, and the monomer density profile across the slit are obtained. Theoretical descriptions via Flory theory and scaling treatments are outlined, and compared to numerical self-consistent field calculations (applying the Scheutjens–Fleer lattice theory) and to Molecular Dynamics results for a bead-spring model. It is shown that Flory theory and self-consistent fi…

Dynamics of star polymers in a good solvent: A Kramers potential treatment

1994

The ‘‘effective’’ relaxation time τ of isolated star polymers with excluded volume interactions in the Rouse model limit (i.e., disregarding hydrodynamic interactions present in real solvents) is studied varying both the number of arms f and the number of monomers per arm l. Here τ is defined from the response of the gyration radius of the star polymer to a Kramers potential that describes the effect of shear flow in lowest order in the shear rate. Monte Carlo simulations are performed with two different techniques (simple sampling with enrichment or dynamic Monte Carlo, respectively) for two different models (simple self‐avoiding walks with an extended core or the bond fluctuation model, r…