arXiv subjects

M. Mueller

Publications and source records attributed to M. Mueller.

At least 73 records · Page 4Linked to original sources

arXiv2004

Determining Beam Parameters in a Storage Ring with a Cylindrical Hodoscope using Elastic Proton-Proton Scattering

The EDDA-Detector at the Cooler-Synchrotron COSY/Jülich has been operated with an internal CH$_2$ fiber target to measure proton-proton elastic scattering differential cross sections. For the data analysis knowledge of beam parameters, like position, width and angle, are indispensable. We have developed a method to obtain these values with high precision from the azimuthal and polar angles of the ejectiles only, by exploiting the coplanarity of the two final state protons with the beam and the kinematic correlation. The formalism is described and results for beam parameters obtained during beam acceleration are given.

nucl-ex↗

arXiv2004

Radiation Damage of Polypropylene Fiber Targets in Storage Rings

Thin polypropylene (CH$_2$) fibers have been used for internal experiments in storage rings as an option for hydrogen targets. The change of the hydrogen content due to the radiation dose applied by the circulating proton beam has been investigated in the range $1\cdot10^6$ to $2\cdot10^8$~Gy at beam momenta of 1.5 to 3 GeV/c by comparing the elastic pp-scattering yield to that from inelastic p-carbon reactions. It is found that the loss of hydrogen as a function of applied dose receives contributions from a fast and a slow component.

nucl-ex↗

arXiv2004

Glassy phases in Random Heteropolymers with correlated sequences

We develop a new analytic approach for the study of lattice heteropolymers, and apply it to copolymers with correlated Markovian sequences. According to our analysis, heteropolymers present three different dense phases depending upon the temperature, the nature of the monomer interactions, and the sequence correlations: (i) a liquid phase, (ii) a ``soft glass'' phase, and (iii) a ``frozen glass'' phase. The presence of the new intermediate ``soft glass'' phase is predicted for instance in the case of polyampholytes with sequences that favor the alternation of monomers. Our approach is based on the cavity method, a refined Bethe Peierls approximation adapted to frustrated systems. It amounts to a mean field treatment in which the nearest neighbor correlations, which are crucial in the dense phases of heteropolymers, are handled exactly. This approach is powerful and versatile, it can be improved systematically and generalized to other polymeric systems.

cond-mat.dis-nn↗

arXiv2003

Dynamical Structure Factors for Dimerized Spin Systems

We discuss the transition strength between the disordered ground state and the basic low-lying triplet excitation for interacting dimer materials by presenting theoretical calculations and series expansions as well as inelastic neutron scattering results for the material KCuCl_3. We describe in detail the features resulting from the presence of two differently oriented dimers per unit cell and show how energies and spectral weights of the resulting two modes are related to each other. We present results from the perturbation expansion in the interdimer interaction strength and thus demonstrate that the wave vector dependence of the simple dimer approximation is modified in higher orders. Explicit results are given in 10th order for dimers coupled in 1D, and in 2nd order for dimers coupled in 3D with application to KCuCl_3 and TlCuCl_3.

cond-mat.str-el↗

arXiv2003

Successive Umbrella Sampling

We propose an extension of umbrella sampling in which the pertinent range of states is subdivided in windows that are sampled consecutively and linked together. Extrapolating results from one window we estimate a weight function for the neighboring window. We present a detailed analysis and demonstrate that the error is controlled and independent from the window sizes. The analysis also allows us to detect sampling difficulties. The efficiency of the algorithm is comparable to a multicanonical simulation with an ideal weight function. We exemplify the computational scheme by simulating the liquid-vapor coexistence in a Lennard--Jones system.

cond-mat.stat-mech↗

arXiv2003

A New Mechanism of Model Membrane Fusion Determined from Monte Carlo Simulation

We have carried out extensive Monte Carlo simulations of the fusion of tense apposed bilayers formed by amphiphilic molecules within the framework of a coarse grained lattice model. The fusion pathway differs from the usual stalk mechanism. Stalks do form between the apposed bilayers, but rather than expand radially to form an axial-symmetric hemifusion diaphragm of the trans leaves of both bilayers, they promote in their vicinity the nucleation of small holes in the bilayers. Two subsequent paths are observed: (i) The stalk encircles a hole in one bilayer creating a diaphragm comprised of both leaves of the other intact bilayer, and which ruptures to complete the fusion pore. (ii) Before the stalk can encircle a hole in one bilayer, a second hole forms in the other bilayer, and the stalk aligns and encircles them both to complete the fusion pore. Both pathways give rise to mixing between the cis and trans leaves of the bilayer and allow for transient leakage.

cond-mat.soft↗

arXiv2003

Phase separation kinetics in compressible polymer solutions: Computer simulation of the early stages

A coarse-grained model for solutions of polymers in supercritical fluids is introduced and applied to the system of hexadecane and carbon dioxide as a representative example. Fitting parameters of the model to the gas-liquid critical point properties of the pure systems, and allowing for a suitably chosen parameter that describes the deviation from the Lorentz-Berthelot mixing rule, we model the liquid-gas and fluid-fluid unmixing transitions of this system over a wide range of temperatures and pressures in reasonable agreement with experiment. Interfaces between the polymer-rich phase and the gas can be studied both at temperatures above and below the end point of the triple line where liquid and vapor carbon dioxide and the polymer rich phase coexist. In the first case interfacial adsorption of fluid carbon dioxide can be demonstrated. Our model can also be used to simulate quenches from the one-phase to the two-phase region. A short animation and a series of snapshots help to visualize the early stages of bubble nucleation and spinodal decomposition. Furthermore we discuss deviations from classical nucleation theory for small nuclei.

cond-mat.soft↗

arXiv2003

The droplet evaporation/condensation transition in a finite volume

A fluid in the NVT ensemble at T less than the critical temperature T_c and rho = N/V somewhat in excess of rho_coex (density of the saturated gas in the gas-liquid transition) is considered. For V->infinity, a macroscopic liquid droplet coexists with surrounding saturated gas according to the lever rule. For finite V, droplets can only exist if they exceed a minimum size. A (rounded) first order transition of the system occurs when the droplet evaporates into the supersaturated gas.Simulation evidence for this transition is given for a Lennard-Jones model and interpreted by a phenomenological theory. At the transition, the chemical potential difference mu_t-mu_coex scales like L^(-d/(d+1)) for a cubic volume V=L^d in d dimensions, as L->infinity.

cond-mat.soft↗

arXiv2002

Statistical Physics of RNA-folding

We discuss the physics of RNA as described by its secondary structure. We examine the static properties of a homogeneous RNA-model that includes pairing and base stacking energies as well as entropic costs for internal loops. For large enough costs the model exhibits a thermal denaturation transition which we analyze in terms of the radius of gyration. We point out an inconsistency in the standard approach to RNA secondary structure prediction for large molecules. Under an external force a second order phase transition between a globular and an extended phase takes place. A Harris-type criterion shows that sequence disorder does not affect the correlation length exponent while the other critical exponents are modified in the glass phase. However, at high temperatures, on a coarse-grained level, disordered RNA is well described by a homogeneous model. The characteristics of force-extension curves are discussed as a function of the energy parameters. We show that the force transition is always second order. A re-entrance phenomenon relevant for real disordered RNA is predicted.

cond-mat.stat-mech↗

arXiv2002

Dynamical Structure Factors for the Heisenberg Chain with Alternating Exchange

We discuss the transition strength between the disordered ground state and the basic low-lying triplet excitation for the Heisenberg chain with alternating exchange based on series expansions in the interdimer interaction up to tenth order. We demonstrate that the wave vector dependence of the simple dimer approximation is strongly modified in higher orders.

cond-mat.str-el↗

arXiv2002

The secondary structure of RNA under tension

We study the force-induced unfolding of random disordered RNA or single-stranded DNA polymers. The system undergoes a second order phase transition from a collapsed globular phase at low forces to an extensive necklace phase with a macroscopic end-to-end distance at high forces. At low temperatures, the sequence inhomogeneities modify the critical behaviour. We provide numerical evidence for the universality of the critical exponents which, by extrapolation of the scaling laws to zero force, contain useful information on the ground state (f=0) properties. This provides a good method for quantitative studies of scaling exponents characterizing the collapsed globule. In order to get rid of the blurring effect of thermal fluctuations we restrict ourselves to the groundstate at fixed external force. We analyze the statistics of rearrangements, in particular below the critical force, and point out its implications for force-extension experiments on single molecules.

cond-mat.soft↗

arXiv2002

Perturbation theories for the S=1/2 spin ladder with four-spin ring exchange

The isotropic S=1/2 antiferromagnetic spin ladder with additional four-spin ring exchange is studied perturbatively in the strong coupling regime with the help of cluster expansion technique, and by means of bosonization in the weak coupling limit. It is found that a sufficiently large strength of ring exchange leads to a second-order phase transition, and the shape of the boundary in the vicinity of the known exact transition point is obtained. The critical exponent for the gap is found to be $η\simeq1$, in agreement both with exact results available for the dimer line and with the bosonization analysis. The phase emerging for high values of the ring exchange is argued to be gapped and spontaneously dimerized. The results for the transition line from strong coupling and from weak coupling match with each other naturally.

cond-mat.str-el↗

arXiv2002

Transition from Gaussian-orthogonal to Gaussian-unitary ensemble in a microwave billiard with threefold symmetry

Recently it has been shown that time-reversal invariant systems with discrete symmetries may display in certain irreducible subspaces spectral statistics corresponding to the Gaussian unitary ensemble (GUE) rather than to the expected orthogonal one (GOE). A Kramers type degeneracy is predicted in such situations. We present results for a microwave billiard with a threefold rotational symmetry and with the option to display or break a reflection symmetry. This allows us to observe the change from GOE to GUE statistics for one subset of levels. Since it was not possible to separate the three subspectra reliably, the number variances for the superimposed spectra were studied. The experimental results are compared with a theoretical and numerical study considering the effects of level splitting and level loss.

nlin.CD↗

arXiv2002

Nature of the glassy phase of RNA secondary structure

We characterize the low temperature phase of a simple model for RNA secondary structures by determining the typical energy scale E(l) of excitations involving l bases. At zero temperature, we find a scaling law E(l) \sim l^θwith θ\approx 0.23, and this same scaling holds at low enough temperatures. Above a critical temperature, there is a different phase characterized by a relatively flat free energy landscape resembling that of a homopolymer with a scaling exponent θ=1. These results strengthen the evidence in favour of the existence of a glass phase at low temperatures.

cond-mat.stat-mech↗

arXiv2002

Magnetic Excitations of the Spin Gap System TlCuCl$_3$

TlCuCl$_3$ has a singlet ground state with the excitation gap $Δ=0.65$ meV. The magnetic excitations in TlCuCl$_3$ have been investigated by means of neutron inelastic scattering experiments. The constant-$\it{\pmb Q}$ energy scan profiles were collected in the $a^*-c^*$ plane. A well-defined single magnetic excitation mode was observed. The dispersion relations along four different directions were determined. The lowest excitation occurs at ${\it{\pmb Q}}=(h, 0, l)$ with integer $h$ and odd $l$, as observed in KCuCl$_3$. A cluster series expansion up to the sixth order was applied to analyze the dispersion relations, and the individual exchange interactions were evaluated. It was demonstrated that TlCuCl$_3$ is a strongly coupled spin-dimer system.

cond-mat.str-el↗

arXiv2001

Deviations from the mean field predictions for the phase behaviour of random copolymers melts

We investigate the phase behaviour of random copolymers melts via large scale Monte Carlo simulations. We observe macrophase separation into A and B--rich phases as predicted by mean field theory only for systems with a very large correlation lambda of blocks along the polymer chains, far away from the Lifshitz point. For smaller values of lambda, we find that a locally segregated, disordered microemulsion--like structure gradually forms as the temperature decreases. As we increase the number of blocks in the polymers, the region of macrophase separation further shrinks. The results of our Monte Carlo simulation are in agreement with a Ginzburg criterium, which suggests that mean field theory becomes worse as the number of blocks in polymers increases.

cond-mat.soft↗

arXiv2001

Flat Histogram Method of Wang-Landau and N-fold Way

We present a method for estimating the density of states of a classical statistical model. The algorithm successfully combines the Wang-Landau flat histogram method with the N-fold way in order to improve efficiency of the original single spin flip version. We test our implementation of the Wang-Landau method with the two-dimensional nearest neighbor Ising model for which we determine the tunneling time and the density of states. Furthermore, we show that our new algorithm performs correctly at right edges of an energy interval over which the density of states is computed. This removes a disadvantage of the original single spin flip Wang-Landau method where results showed systematically higher errors in the density of states at right boundaries. We compare our data with the detailed numerical tests presented in a study by Wang and Swendsen where the original Wang-Landau method was tested against various other methods. Finally, we apply our method to a thin Ising film of size $32\times 32\times 6$ with antisymmetric surface fields. With the density of states obtained from the simulations we calculate canonical averages related to the energy such as internal energy, Gibbs free energy and entropy, but we also sample microcanonical averages during simulations in order to determine canonical averages of the susceptibility, the order parameter and its fourth order cumulant. We compare our results with simulational data obtained from a conventional MC algorithm.

cond-mat.stat-mech↗

arXiv2001

New mechanism of membrane fusion

We have carried out Monte Carlo simulation of the fusion of bilayers of single chain amphiphiles which show phase behavior similar to that of biological lipids. The fusion mechanism we observe is very different from the ``stalk'' hypothesis. Stalks do form on the first stage of fusion, but they do not grow radially to form a hemifused state. Instead, stalk formation destabilizes the membranes and results in hole formation in the vicinity of the stalks. When holes in each bilayer nucleate spontaneously next to the same stalk, an incomplete fusion pore is formed. The fusion process is completed by propagation of the initial connection, the stalk, along the edges of the aligned holes.

cond-mat.soft↗