arXiv subjects

M. Mueller

Publications and source records attributed to M. Mueller.

At least 91 records · Page 5Linked to original sources

arXiv2001

Spinodal Decomposition in a Binary Polymer Mixture: Dynamic Self Consistent Field Theory and Monte Carlo Simulations

We investigate how the dynamics of a single chain influences the kinetics of early stage phase separation in a symmetric binary polymer mixture. We consider quenches from the disordered phase into the region of spinodal instability. On a mean field level we approach this problem with two methods: a dynamical extension of the self consistent field theory for Gaussian chains, with the density variables evolving in time, and the method of the external potential dynamics where the effective external fields are propagated in time. Different wave vector dependencies of the kinetic coefficient are taken into account. These early stages of spinodal decomposition are also studied through Monte Carlo simulations employing the bond fluctuation model that maps the chains -- in our case with 64 effective segments -- on a coarse grained lattice. The results obtained through self consistent field calculations and Monte Carlo simulations can be compared because the time, length, and temperature scales are mapped onto each other through the diffusion constant, the chain extension, and the energy of mixing. The quantitative comparison of the relaxation rate of the global structure factor shows that a kinetic coefficient according to the Rouse model gives a much better agreement than a local, i.e. wave vector independent, kinetic factor. Including fluctuations in the self consistent field calculations leads to a shorter time span of spinodal behaviour and a reduction of the relaxation rate for smaller wave vectors and prevents the relaxation rate from becoming negative for larger values of the wave vector. This is also in agreement with the simulation results.

cond-mat.stat-mech↗

arXiv2001

Cluster expansion for dimerized spin systems

We have studied dimerized spin systems by realizing the cluster expansion to high order. We have extended our previous dimer expansion for one-dimensional systems to cover weakly interacting chains for a quantitative description of three dimensional materials like PHCC and KCuCl_3. By comparison with recent inelastic neutron scattering data we are able to determine the exchange energies between individual spins. We have further investigated the incommensurate region of zigzag chains with isotropic exchange coupling constants near the disorder-line where the dispersion curve exhibits a minimum at a finite wavevector. Our approach clearly shows the gradual transition between the minimum of the dispersion at wavevector 0 and wavevector Pi within this region. The extent of the incommensurate regime is given analytically in an expansion in the coupling constants.

cond-mat.str-el↗

arXiv2001

Marginal pinning of vortices at high temperature

We analyze the competition between thermal fluctuations and pinning of vortices in bulk type II superconductors subject to point-like disorder and derive an expression for the temperature dependence of the pinning length L_c(T) which separates different types of single vortex wandering. Given a disorder potential with a basic scale ξand a correlator K_0(u) \sim K_0 (u/xi)^{-β} ln^alpha (u/xi) we determine the dependence of L_c(T) on the correlator range: correlators with β> 2 (short-range) and β<2 (long-range) lead to the known results L_c(T) \sim L_c(0) exp[C T^3] and L_c(T) \sim L_c(0) (C T)^{(4+beta)/(2-beta)}, respectively. Using functional renormalization group we show that for β=2 the result takes the interpolating form L_c(T) \sim L_c(0) exp[C T^{3/(2+alpha)}]. Pinning of vortices in bulk type II superconductors involves a long-range correlator with β=2, α=1 on intermediate scales ξ<u<λ, with ξand λthe coherence length and London penetration depth, hence L_c(T) \sim L_c(0) exp[C T]; at large distances L_c(T) crosses over to the usual short-range behavior.

cond-mat.dis-nn↗

arXiv2000

Velocity-force characteristics of a driven interface in a disordered medium

Using a dynamic functional renormalization group treatment of driven elastic interfaces in a disordered medium, we investigate several aspects of the creep-type motion induced by external forces below the depinning threshold $f_c$: i) We show that in the experimentally important regime of forces slightly below $f_c$ the velocity obeys an Arrhenius-type law $v\sim\exp[-U(f)/T]$ with an effective energy barrier $U(f)\propto (f_{c}-f)$ vanishing linearly when f approaches the threshold $f_c$. ii) Thermal fluctuations soften the pinning landscape at high temperatures. Determining the corresponding velocity-force characteristics at low driving forces for internal dimensions d=1,2 (strings and interfaces) we find a particular non-Arrhenius type creep $v\sim \exp[-(f_c(T)/f)^μ]$ involving the reduced threshold force $f_c(T)$ alone. For d=3 we obtain a similar v-f characteristic which is, however, non-universal and depends explicitly on the microscopic cutoff.

cond-mat.dis-nn↗

arXiv2000

Interface localisation-delocalisation transition in a symmetric polymer blend: a finite-size scaling Monte Carlo study

Using extensive Monte Carlo simulations we study the phase diagram of a symmetric binary (AB) polymer blend confined into a thin film as a function of the film thickness D. The monomer-wall interactions are short ranged and antisymmetric, i.e, the left wall attracts the A-component of the mixture with the same strength as the right wall the B-component, and give rise to a first order wetting transition in a semi-infinite geometry. The phase diagram and the crossover between different critical behaviors is explored. For large film thicknesses we find a first order interface localisation/delocalisation transition and the phase diagram comprises two critical points, which are the finite film width analogies of the prewetting critical point. Using finite size scaling techniques we locate these critical points and present evidence of 2D Ising critical behavior. When we reduce the film width the two critical points approach the symmetry axis $ϕ=1/2$ of the phase diagram and for $D \approx 2 R_g$ we encounter a tricritical point. For even smaller film thickness the interface localisation/delocalisation transition is second order and we find a single critical point at $ϕ=1/2$. Measuring the probability distribution of the interface position we determine the effective interaction between the wall and the interface. This effective interface potential depends on the lateral system size even away from the critical points. Its system size dependence stems from the large but finite correlation length of capillary waves. This finding gives direct evidence for a renormalization of the interface potential by capillary waves in the framework of a microscopic model.

cond-mat.stat-mech↗

arXiv2000

Monte Carlo Simulation of Long Chain Polymer Melts: Crossover from Rouse to Reptation Dynamics

We present data of Monte Carlo simulations for monodisperse linear polymer chains in dense melts with degrees of polymerization between N=16 and N=512. The aim of this study is to investigate the crossover from Rouse-like dynamics for short chains to reptation-like dynamics for long chains. To address this problem we calculate a variety of different quantities: standard mean-square displacements of inner monomers and of the chain's center of mass, the recently proposed cubic invariant, persistence of bond-vector orientation with time, and the auto-correlation functions of the bond vector, the end-to-end vector and the Rouse modes. This analysis reveals that the crossover from non- to entangled dynamics is very protracted. Only the largest chain length N=512, which is about 13 times larger than the entanglement length, shows evidence for reptation.

cond-mat.soft↗

arXiv2000

On the dynamics of coupled S=1/2 antiferromagnetic zig-zag chains

We investigate the elementary excitations of quasi one-dimensional S=1/2 systems built up from zig-zag chains with general isotropic exchange constants, using exact (Lanczos) diagonalization for 24 spins and series expansions starting from the decoupled dimer limit. For the ideal one-dimensional zig-zag chain we discuss the systematic variation of the basic (magnon) triplet excitation with general exchange parameters and in particular the presence of practically flat dispersions in certain regions of phase space. We extend the dimer expansion in order to include the effects of 3D interactions on the spectra of weakly interacting zig-zag chains. In an application to KCuCl_3 we show that this approach allows to determine the exchange interactions between individual pairs of spins from the spectra as determined in recent neutron scattering experiments.

cond-mat.str-el↗

arXiv2000

Phase diagram of polymer blends in confined geometry

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component and the corresponding semi-infinite system exhibits a first order wetting transition. The surface interaction of the opposite surface is varied as to study the crossover from capillary condensation for symmetric surface fields to the interface localization/delocalization transition for antisymmetric surface fields. In the former case the phase diagram has a single critical point close to the bulk critical point. In the latter case the phase diagram exhibits two critical points which correspond to the prewetting critical points of the semi-infinite system. Only below a triple point there is a single two phase coexistence region. The crossover between these qualitatively different limiting behaviors occurs gradually, however, the critical temperature and the critical composition exhibit a non-monotonic dependence on the surface field. The dependence of the phase behavior for antisymmetric boundaries is studied as a function of the film thickness and the strength of the surface interactions. Upon reducing the film thickness or decreasing the strength of the surface interactions we can change the order of the interface localization/delocalization transition from first to second. The role of fluctuations is explored via Monte Carlo simulations of a coarse grained lattice model. Close to the (prewetting) critical points we observe 2D Ising critical behavior. At lower temperatures capillary waves of the AB interface lead to a pronounced dependence of the effective interface potential on the lateral system size.

cond-mat.stat-mech↗

arXiv2000

A symmetric polymer blend confined into a film with antisymmetric surfaces: interplay between wetting behavior and phase diagram

We study the phase behavior of a symmetric binary polymer blend which is confined into a thin film. The film surfaces interact with the monomers via short range potentials. We calculate the phase behavior within the self-consistent field theory of Gaussian chains. Over a wide range of parameters we find strong first order wetting transitions for the semi-infinite system, and the interplay between the wetting/prewetting behavior and the phase diagram in confined geometry is investigated. Antisymmetric boundaries, where one surface attracts the A component with the same strength than the opposite surface attracts the B component, are applied. The phase transition does not occur close to the bulk critical temperature but in the vicinity of the wetting transition. For very thin films or weak surface fields one finds a single critical point at $ϕ_c=1/2$. For thicker films or stronger surface fields the phase diagram exhibits two critical points and two concomitant coexistence regions. Only below a triple point there is a single two phase coexistence region. When we increase the film thickness the two coexistence regions become the prewetting lines of the semi-infinite system, while the triple temperature converges towards the wetting transition temperature from above. The behavior close to the tricritical point, which separates phase diagrams with one and two critical points, is studied in the framework of a Ginzburg-Landau ansatz. Two-dimensional profiles of the interface between the laterally coexisting phases are calculated, and the interfacial and line tensions analyzed. The effect of fluctuations and corrections to the self-consistent field theory are discussed.

cond-mat.stat-mech↗

arXiv2000

Comment on "Models of Intermediate Spectral Statistics"

In [1] it was proposed, that the nearest-neighbor distribution $P(s)$ of the spectrum of the Bohr-Mottelson model is similar to the semi-Poisson distribution. We show however, that $P(s)$ of this model differs considerably in many aspects from semi-Poisson. In addition we give an asymptotic formula for $P(s)$ as $s \to 0$, which gives $P'(0) = π\sqrt{3}/2$ for the slope at $s=0$. This is different not only from the GOE case but also from the semi-Poisson prediction that leads to $P'(0) = 4$

cond-mat↗

arXiv2000

On two intrinsic length scales in polymer physics: topological constraints vs. entanglement length

The interplay of topological constraints, excluded volume interactions, persistence length and dynamical entanglement length in solutions and melts of linear chains and ring polymers is investigated by means of kinetic Monte Carlo simulations of a three dimensional lattice model. In unknotted and unconcatenated rings, topological constraints manifest themselves in the static properties above a typical length scale $dt \sim 1/\sqrt{lϕ}$ ($ϕ$ being the volume fraction, $l$ the mean bond length). Although one might expect that the same topological length will play a role in the dynamics of entangled polymers, we show that this is not the case. Instead, a different intrinsic length de, which scales like excluded volume blob size $ξ$, governs the scaling of the dynamical properties of both linear chains and rings.

cond-mat.stat-mech↗

arXiv2000

Spectral Statistics of the Two-Body Random Ensemble Revisited

Using longer spectra we re-analyze spectral properties of the two-body random ensemble studied thirty years ago. At the center of the spectra the old results are largely confirmed, and we show that the non-ergodicity is essentially due to the variance of the lowest moments of the spectra. The longer spectra allow to test and reach the limits of validity of French's correction for the number variance. At the edge of the spectra we discuss the problems of unfolding in more detail. With a Gaussian unfolding of each spectrum the nearest neighbour spacing distribution between ground state and first exited state is shown to be stable. Using such an unfolding the distribution tends toward a semi-Poisson distribution for longer spectra. For comparison with the nuclear table ensemble we could use such unfolding obtaining similar results as in the early papers, but an ensemble with realistic splitting gives reasonable results if we just normalize the spacings in accordance with the procedure used for the data.

cond-mat↗

arXiv2000

Equation of state and critical behavior of polymer models: A quantitative comparison between Wertheim's thermodynamic perturbation theory and computer simulations

We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Reference Hyper-Netted-Chain (RHNC) and Mean Spherical approximation (MSA) integral equation theories to describe the properties of the reference fluid. The equation of state, the density dependence of the excess chemical potential, and the critical points of the liquid--vapor transition are compared with simulation results and good agreement is found. The RHNC version is somewhat more accurate, while the MSA version has the advantage of being almost analytic. We analyze the scaling behavior of the critical point of chain fluids according to TPT1 and find it to reproduce the mean field exponents: The critical monomer density is predicted to vanish as $n^{-1/2}$ upon increasing the chain length $n$ while the critical temperature is predicted to reach an asymptotic finite temperature that is attained as $n^{-1/2}$. The predicted asymptotic finite critical temperature obtained from the RHNC and MSA versions of TPT1 is found to be in good agreement with the $Θ$ point of our polymer model as obtained from the temperature dependence of the single chain conformations.

cond-mat.stat-mech↗

arXiv2000

Finite size effects on the phase diagram of a binary mixture confined between competing walls

A symmetrical binary mixture AB that exhibits a critical temperature T_{cb} of phase separation into an A-rich and a B-rich phase in the bulk is considered in a geometry confined between two parallel plates a distance D apart. It is assumed that one wall preferentially attracts A while the other wall preferentially attracts B with the same strength (''competing walls''). In the limit $D\to \infty$, one then may have a wetting transition of first order at a temperature T_{w}, from which prewetting lines extend into the one phase region both of the A-rich and the B-rich phase. It is discussed how this phase diagram gets distorted due to the finiteness of D% : the phase transition at T_{cb} immediately disappears for D<\infty due to finite size rounding, and the phase diagram instead exhibit two two-phase coexistence regions in a temperature range T_{trip}<T<T_{c1}=T_{c2}. In the limit D\to \infty T_{c1},T_{c2} become the prewetting critical points and T_{trip}\to T_{w}. For small enough D it may occur that at a tricritical value D_{t} the temperatures T_{c1}=T_{c2} and T_{trip} merge, and then for D<D_{t} there is a single unmixing critical point as in the bulk but with T_{c}(D) near T_{w}. As an example, for the experimentally relevant case of a polymer mixture a phase diagram with two unmixing critical points is calculated explicitly from self-consistent field methods.

cond-mat.stat-mech↗

arXiv2000

Non-monotonous crossover between capillary condensation and interface localisation/delocalisation transition in binary polymer blends

Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component and the corresponding semi-infinite system exhibits a first order wetting transition. The surface interaction of the opposite surface is varied as to study the crossover from capillary condensation for symmetric surface fields to the interface localisation/delocalisation transition for antisymmetric surface fields. In the former case the phase diagram has a single critical point close to the bulk critical point. In the latter case the phase diagram exhibits two critical points which correspond to the prewetting critical points of the semi-infinite system. The crossover between these qualitatively different limiting behaviours occurs gradually, however, the critical temperature and the critical composition exhibit a non-monotonic dependence on the surface field.

cond-mat.stat-mech↗

arXiv1998

Effects of biquadratic exchange on the spectrum of elementary excitations in spin ladders

We investigate the influence of biquadratic exchange interactions on the low-lying excitations of a S=1/2-ladder using perturbation theory, numerical diagonalization of finite systems and exact results for ladders with matrix product ground states. We consider in particular the combination of biquadratic exchange interactions corresponding to ring exchange on the basic ladder plaquette. We find that a moderate amount of ring exchange reduces the spin gap substantially and makes equal bilinear exchange on legs and rungs consistent with experimentally observed spectra.

cond-mat.str-el↗

arXiv1998

Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density

By means of extensive Monte Carlo simulations of the bond fluctuation model, we study the effect of adding AB diblock copolymers on the properties of an interface between demixed homopolymer phases. The parameters are chosen such that the homopolymers are strongly segregated, and the whole range of copolymer concentrations in the two phase coexistence region is scanned. We compare the ``mushroom'' regime, in which copolymers are diluted and do not interact with each other, with the ``wet brush'' regime, where copolymers overlap and stretch, but are still swollen by the homopolymers. A ``dry brush'' regime is never entered for our choice of chain lengths. ``Intrinsic'' profiles are calculated using a block analysis method introduced by us in earlier work. We discuss density profiles, orientational profiles and contact number profiles. In general, the features of the profiles are similar at all copolymer concentrations, however, the profiles in the concentrated regime are much broader than in the dilute regime. The results compare well with self-consistent field calculations.

cond-mat.soft↗

arXiv1998

Interfacial profiles between coexisting phases in thin films: Cahn Hilliard treatment versus capillary waves

We consider an interface between two demixed A and B phases, confined in a thin film between two antisymmetric walls, one of which prefers A and the other B. Above the wetting transition, the interface is stabilized in the center of the film. Based on a suitable extension of the Cahn-Hilliard gradient-square theory in combination with the capillary wave theory, we argue that the confinement influences the interfacial structure in two ways: It squeezes the intrinsic structure and cuts off the capillary wave spectrum. As a result, the interfacial width is proportional to the film thickness D in very thin films, and proportional to the square root of D in thicker films. These effects are then discussed in detail for the special case of an interface between demixed homopolymer phases. The width of the intrinsic profile is calculated analytically as a function of film thickness in the Cahn-Hilliard approximation (weak segregation limit) and in the Helfand theory (strong segregation limit), and numerically in the self-consistent field approximation. The results are confirmed by Monte Carlo simulations of a lattice model for a polymer mixture.

cond-mat.stat-mech↗