Simulation of a Single Polymer Chain in Solution by Combining Lattice Boltzmann and Molecular Dynamics

In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are coupled by a simple dissipative force while the system is driven by stochastic forces added to both the fluid and the polymer. Extensive tests of the new method for the case of a single polymer chain in a solvent are performed. The dynamic and static scaling properties predicted by analytical theory are validated. In this context, the influence of the finite size of the simulation box is discussed. While usually the finite size corrections scale as L^{-1} (L denoting the linear dimension of the box), the decay rate of the Rouse modes is only subject to an L^{-3} finite size effect. Furthermore, the mapping to an existing MD simulation of the same system is done so that all physical input values for the new method can be derived from pure MD simulation. Both methods can thus be compared quantitatively, showing that the new method allows for much larger time steps. Comparison of the results for both methods indicates systematic deviations due to non-perfect match of the static chain conformations.Comment: 17 pages, 12 figures, submitted to J. Chem. Phy

Universal spectral statistics in Wigner-Dyson, chiral and Andreev star graphs I: construction and numerical results

In a series of two papers we investigate the universal spectral statistics of chaotic quantum systems in the ten known symmetry classes of quantum mechanics. In this first paper we focus on the construction of appropriate ensembles of star graphs in the ten symmetry classes. A generalization of the Bohigas-Giannoni-Schmit conjecture is given that covers all these symmetry classes. The conjecture is supported by numerical results that demonstrate the fidelity of the spectral statistics of star graphs to the corresponding Gaussian random-matrix theories.Comment: 15 page

Thermal dilepton and open charm signals versus hard initial yields in heavy-ion collisions at RHIC and LHC energies

The hard initial production of open charm and dileptons is compared with possible thermal signals in heavy-ion collisions at RHIC and LHC energies. Our approach is based on the perturbative QCD mini-jet mechanism of quark-gluon matter formation. The thermal dilepton signal is found to rise much stronger as compared to the hard Drell - Yan background with increasing collider energy and clearly dominates at LHC energy. Oppositely, open charm stems from initial hard production. A possible rnanifestation of gluon shadowing at RHIC and LHC energies is discussed

Cauchy-perturbative matching revisited: tests in spherical symmetry

During the last few years progress has been made on several fronts making it possible to revisit Cauchy-perturbative matching (CPM) in numerical relativity in a more robust and accurate way. This paper is the first in a series where we plan to analyze CPM in the light of these new results. Here we start by testing high-order summation-by-parts operators, penalty boundaries and contraint-preserving boundary conditions applied to CPM in a setting that is simple enough to study all the ingredients in great detail: Einstein's equations in spherical symmetry, describing a black hole coupled to a massless scalar field. We show that with the techniques described above, the errors introduced by Cauchy-perturbative matching are very small, and that very long term and accurate CPM evolutions can be achieved. Our tests include the accretion and ring-down phase of a Schwarzschild black hole with CPM, where we find that the discrete evolution introduces, with a low spatial resolution of \Delta r = M/10, an error of 0.3% after an evolution time of 1,000,000 M. For a black hole of solar mass, this corresponds to approximately 5 s, and is therefore at the lower end of timescales discussed e.g. in the collapsar model of gamma-ray burst engines. (abridged)Comment: 14 pages, 20 figure