Structure of Stochastic Dynamics near Fixed Points

We analyze the structure of stochastic dynamics near either a stable or unstable fixed point, where force can be approximated by linearization. We find that a cost function that determines a Boltzmann-like stationary distribution can always be defined near it. Such a stationary distribution does not need to satisfy the usual detailed balance condition, but might have instead a divergence-free probability current. In the linear case the force can be split into two parts, one of which gives detailed balance with the diffusive motion, while the other induces cyclic motion on surfaces of constant cost function. Using the Jordan transformation for the force matrix, we find an explicit construction of the cost function. We discuss singularities of the transformation and their consequences for the stationary distribution. This Boltzmann-like distribution may be not unique, and nonlinear effects and boundary conditions may change the distribution and induce additional currents even in the neighborhood of a fixed point.Comment: 7 page

Globular Structures of a Helix-Coil Copolymer: Self-Consistent Treatment

A self-consistent field theory was developed in the grand-canonical ensemble formulation to study transitions in a helix-coil multiblock globule. Helical and coil parts are treated as stiff rods and self-avoiding walks of variable lengths correspondingly. The resulting field-theory takes, in addition to the conventional Zimm-Bragg (B.H. Zimm, I.K. Bragg, J. Chem. Phys. 31, 526 (1959)) parameters, also three-dimensional interaction terms into account. The appropriate differential equations which determine the self-consistent fields were solved numerically with finite element method. Three different phase states are found: open chain, amorphous globule and nematic liquid-crystalline (LC) globule. The LC-globule formation is driven by the interplay between the hydrophobic helical segments attraction and the anisotropic globule surface energy of an entropic nature. The full phase diagram of the helix-coil copolymer was calculated and thoroughly discussed. The suggested theory shows a clear interplay between secondary and tertiary structures in globular homopolypeptides.Comment: 26 pages, 30 figures, corrected some typo

Field enhancement in subnanometer metallic gaps

Motivated by recent experiments [Ward et al., Nature Nanotech. 5, 732 (2010)], we present here a theoretical analysis of the optical response of sharp gold electrodes separated by a subnanometer gap. In particular, we have used classical finite difference time domain simulations to investigate the electric field distribution in these nanojunctions upon illumination. Our results show a strong confinement of the field within the gap region, resulting in a large enhancement compared to the incident field. Enhancement factors exceeding 1000 are found for interelectrode distances on the order of a few angstroms, which are fully compatible with the experimental findings. Such huge enhancements originate from the coupling of the incident light to the evanescent field of hybrid plasmons involving charge density oscillations in both electrodes.Comment: 4 pages, 3 figures, to appear in Physical Review

Construct, Merge, Solve and Adapt: Application to the repetition-free longest common subsequence problem

In this paper we present the application of a recently proposed, general, algorithm for combinatorial optimization to the repetition-free longest common subsequence problem. The applied algorithm, which is labelled Construct, Merge, Solve & Adapt, generates sub-instances based on merging the solution components found in randomly constructed solutions. These sub-instances are subsequently solved by means of an exact solver. Moreover, the considered sub-instances are dynamically changing due to adding new solution components at each iteration, and removing existing solution components on the basis of indicators about their usefulness. The results of applying this algorithm to the repetition-free longest common subsequence problem show that the algorithm generally outperforms competing approaches from the literature. Moreover, they show that the algorithm is competitive with CPLEX for small and medium size problem instances, whereas it outperforms CPLEX for larger problem instances.Peer ReviewedPostprint (author's final draft

High-performance functional renormalization group calculations for interacting fermions

We derive a novel computational scheme for functional Renormalization Group (fRG) calculations for interacting fermions on 2D lattices. The scheme is based on the exchange parametrization fRG for the two-fermion interaction, with additional insertions of truncated partitions of unity. These insertions decouple the fermionic propagators from the exchange propagators and lead to a separation of the underlying equations. We demonstrate that this separation is numerically advantageous and may pave the way for refined, large-scale computational investigations even in the case of complex multiband systems. Furthermore, on the basis of speedup data gained from our implementation, it is shown that this new variant facilitates efficient calculations on a large number of multi-core CPUs. We apply the scheme to the $t$,$t'$ Hubbard model on a square lattice to analyze the convergence of the results with the bond length of the truncation of the partition of unity. In most parameter areas, a fast convergence can be observed. Finally, we compare to previous results in order to relate our approach to other fRG studies.Comment: 26 pages, 9 figure

Phase behavior of the Confined Lebwohl-Lasher Model

The phase behavior of confined nematogens is studied using the Lebwohl-Lasher model. For three dimensional systems the model is known to exhibit a discontinuous nematic-isotropic phase transition, whereas the corresponding two dimensional systems apparently show a continuous Berezinskii-Kosterlitz-Thouless like transition. In this paper we study the phase transitions of the Lebwohl-Lasher model when confined between planar slits of different widths in order to establish the behavior of intermediate situations between the pure planar model and the three-dimensional system, and compare with previous estimates for the critical thickness, i.e. the slit width at which the transition switches from continuous to discontinuous.Comment: Submitted to Physical Review

Unified algebraic treatment of resonance

Energy resonance in scattering is usually investigated either directly in the complex energy plane (E-plane) or indirectly in the complex angular momentum plane (L-plane). Another formulation complementing these two approaches was introduced recently. It is an indirect algebraic method that studies resonances in a complex charge plane (Z-plane). This latter approach will be generalized to provide a unified algebraic treatment of resonances in the complex E-, L-, and Z-planes. The complex scaling (rotation) method will be used in the development of this approach. The resolvent operators (Green's functions) are formally defined in these three spaces. Bound states spectrum and resonance energies in the E-plane are mapped onto a discrete set of poles of the respective resolvent operator on the real line of the L- and Z-planes. These poles move along trajectories as the energy is varied. A finite square integrable basis is used in the numerical implementation of this approach. Stability of poles and trajectories against variation in all computational parameters is demonstrated. Resonance energies for a given potential are calculated and compared with those obtained by other studies.Comment: 15 pages, 1 Table, 7 Figures (6 are snapshots of videos

Fundamental Behavior of Electric Field Enhancements in the Gaps Between Closely Spaced Nanostructures

We demonstrate that the electric field enhancement that occurs in a gap between two closely spaced nanostructures, such as metallic nanoparticles, is the result of a transverse electromagnetic waveguide mode. We derive an explicit semianalytic equation for the enhancement as a function of gap size, which we show has a universal qualitative behavior in that it applies irrespective of the material or geometry of the nanostructures and even in the presence of surface plasmons. Examples of perfect electrically conducting and Ag thin-wire antennas and a dimer of Ag spheres are presented and discussed.Comment: 9 pages and 4 figure