The coherent scattering function of the reptation model: simulations compared to theory

We present results of Monte Carlo simulations measuring the coherent structure function of a chain moving through an ordered lattice of fixed topological obstacles. Our computer experiments use chains up to 320 beads and cover a large range of wave vectors and a time range exceeding the reptation time. -- We compare our results (i) to the predictions of the primitive chain model, (ii) to an approximate form resulting from Rouse motion in a coiled tube, and (iii) to our recent evaluation of the full reptation model. (i) The primitive chain model can fit the data for times t \gt 20 T_2, where T_2 is the Rouse time of the chain. Besides some phenomenological amplitude factor this fit involves the reptation time T_3 as a second fit parameter. For the chain lengths measured, the asymptotic behavior T_3 ~ N^3 is not attained. (ii) The model of Rouse motion in a tube, which we have criticized before on theoretical grounds, is shown to fail also on the purely phenomenological level. (iii) Our evaluation of the full reptation model yields an excellent fit to the data for both total chains and internal pieces and for all wave vectors and all times, provided specific micro-structure effects of the MC-dynamics are negligible. Such micro-structure effects show up for wave vectors of the order of the inverse segment size. For the dynamics of the total chain our data analysis based on the full reptation model shows the importance of tube length fluctuations. Universal (Rouse-type) internal relaxation is unimportant. It can be observed only in the form of the diffusive motion of a short central subchain in the tube. -- Finally we present a fit formula which in a large range of wave vectors and chain lengths reproduces the numerical results of our theory for the scattering from the total chain.Comment: 26 pages, 12 figure

The coherent scattering function in the reptation model: analysis beyond asymptotic limits

We calculate the coherent dynamical scattering function S_c(q,t;N) of a flexible chain of length N, diffusing through an ordered background of topological obstacles. As an instructive generalization, we also calculate the scattering function S_c(q,t;M,N) for the central piece of length M < N of the chain. Using the full reptation model, we treat global creep, tube length fluctuations, and internal relaxation within a consistent and unified approach. Our theory concentrates on the universal aspects of reptational motion, and our results in all details show excellent agreement with our simulations of the Evans-Edwards model, provided we allow for a phenomenological prefactor which accounts for non-universal effects of the micro-structure of the Monte Carlo chain, present for short times. Previous approaches to the coherent structure function can be analyzed as special limits of our theory. First, the effects of internal relaxation can be isolated by studying the limit $N \to \infty$, M fixed. The results do not support the model of a `Rouse chain in a tube'. We trace this back to the non-equilibrium initial conditions of the latter model. Second, in the limit of long chains $(M = N \to \infty)$ and times large compared to the internal relaxation time $(t/N^2 \to \infty)$, our theory reproduces the results of the primitive chain model. This limiting form applies only to extremely long chains, and for chain lengths accessible in practice, effects of, e.g., tube length fluctuations are not negligible.Comment: 35 pages revtex style, 9 figures, submitted on January 5, 2002, references updated. Phys. Rev. E, to appea

Samookreślenie człowieka i jego stosunek do przyrody

Zadanie pt. „Digitalizacja i udostępnienie w Cyfrowym Repozytorium Uniwersytetu Łódzkiego kolekcji czasopism naukowych wydawanych przez Uniwersytet Łódzki” nr 885/P-DUN/2014 dofinansowane zostało ze środków MNiSW w ramach działalności upowszechniającej naukę

Construction and test of a moving boundary model for negative streamer discharges

Starting from the minimal model for the electrically interacting particle densities in negative streamer discharges, we derive a moving boundary approximation for the ionization fronts. The boundary condition on the moving front is found to be of 'kinetic undercooling' type. The boundary approximation, whose first results have been published in [Meulenbroek et al., PRL 95, 195004 (2005)], is then tested against 2-dimensional simulations of the density model. The results suggest that our moving boundary approximation adequately represents the essential dynamics of negative streamer fronts.Comment: 10 pages, 7 figures; submitted to Phys. Rev.

Renormalized field theory of polymer solutions. I. Scaling laws

The large scale spatial correlations in a dilute solution of long chain molecules are dominated by excluded volume effects. We extend the field‐theoretic methods of Des Cloizeaux and De Gennes to describe these correlations. We derive general scaling laws which the experimentally measured correlation functions must obey. The dependence on (scattering) wave number, concentration, and chain length is thereby reduced to a function of two variables. This function may moreover be calculated via well‐studied approximations, leaving only an excluded volume parameter and a microscopic length parameter. Using the scaling law, we derive several experimentally observed power laws for parameters such as the radius of gyration, including limiting behavior for small overlap (independent chains), large overlap, and large wave vector.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70672/2/JCPSA6-66-5-2121-1.pd

Regularization of moving boundaries in a Laplacian field by a mixed Dirichlet-Neumann boundary condition: exact results

The dynamics of ionization fronts that generate a conducting body, are in simplest approximation equivalent to viscous fingering without regularization. Going beyond this approximation, we suggest that ionization fronts can be modeled by a mixed Dirichlet-Neumann boundary condition. We derive exact uniformly propagating solutions of this problem in 2D and construct a single partial differential equation governing small perturbations of these solutions. For some parameter value, this equation can be solved analytically which shows that the uniformly propagating solution is linearly convectively stable.Comment: 4 pages, 1 figur

Two-photon excited LIF determination of H-atom concentrations near a heated filament in a low pressure H2 environment

Meier U, Kohse-Höinghaus K, Schäfer L, Klages C-P. Two-photon excited LIF determination of H-atom concentrations near a heated filament in a low pressure H2 environment. Applied Optics. 1990;29(33):4993-4999.With respect to the investigation of low pressure filament-assisted chemical vapor deposition processes for diamond formation, absolute concentrations of atomic hydrogen were determined by two-photon laserinduced fluorescence in the vicinity of a heated filament in an environment containing H2 or mixtures of H2 and CH4. Radial H concentration profiles were obtained for different pressures and filament temperatures, diameters, and materials. The influence of the addition of various amounts of methane on the H atom concentrations was examined

Short Time Behavior in De Gennes' Reptation Model

To establish a standard for the distinction of reptation from other modes of polymer diffusion, we analytically and numerically study the displacement of the central bead of a chain diffusing through an ordered obstacle array for times $t < O(N^2)$. Our theory and simulations agree quantitatively and show that the second moment approaches the $t^{1/4}$ often viewed as signature of reptation only after a very long transient and only for long chains (N > 100). Our analytically solvable model furthermore predicts a very short transient for the fourth moment. This is verified by computer experiment.Comment: 4 pages, revtex, 4 ps file