Quantum Monte Carlo simulation of thin magnetic films

The stochastic series expansion quantum Monte Carlo method is used to study thin ferromagnetic films, described by a Heisenberg model including local anisotropies. The magnetization curve is calculated, and the results compared to Schwinger boson and many-body Green's function calculations. A transverse field is introduced in order to study the reorientation effect, in which the magnetization changes from out-of-plane to in-plane. Since the approximate theoretical approaches above differ significantly from each other, and the Monte Carlo method is free of systematic errors, the calculation provides an unbiased check of the approximate treatments. By studying quantum spin models with local anisotropies, varying spin size, and a transverse field, we also demonstrate the general applicability of the recent cluster-loop formulation of the stochastic series expansion quantum Monte Carlo method.Comment: 9 pages, 12 figure

Schwinger boson theory of anisotropic ferromagnetic ultrathin films

Ferromagnetic thin films with magnetic single-ion anisotropies are studied within the framework of Schwinger bosonization of a quantum Heisenberg model. Two alternative bosonizations are discussed. We show that qualitatively correct results are obtained even at the mean-field level of the theory, similar to Schwinger boson results for other magnetic systems. In particular, the Mermin-Wagner theorem is satisfied: a spontaneous magnetization at finite temperatures is not found if the ground state of the anisotropic system exhibits a continuous degeneracy. We calculate the magnetization and effective anisotropies as functions of exchange interaction, magnetic anisotropies, external magnetic field, and temperature for arbitrary values of the spin quantum number. Magnetic reorientation transitions and effective anisotropies are discussed. The results obtained by Schwinger boson mean-field theory are compared with the many-body Green's function technique.Comment: 14 pages, including 7 EPS figures, minor changes, final version as publishe

Unwrapping Closed Timelike Curves

Closed timelike curves (CTCs) appear in many solutions of the Einstein equation, even with reasonable matter sources. These solutions appear to violate causality and so are considered problematic. Since CTCs reflect the global properties of a spacetime, one can attempt to change its topology, without changing its geometry, in such a way that the former CTCs are no longer closed in the new spacetime. This procedure is informally known as unwrapping. However, changes in global identifications tend to lead to local effects, and unwrapping is no exception, as it introduces a special kind of singularity, called quasi-regular. This "unwrapping" singularity is similar to the string singularities. We give two examples of unwrapping of essentially 2+1 dimensional spacetimes with CTCs, the Gott spacetime and the Godel universe. We show that the unwrapped Gott spacetime, while singular, is at least devoid of CTCs. In contrast, the unwrapped Godel spacetime still contains CTCs through every point. A "multiple unwrapping" procedure is devised to remove the remaining circular CTCs. We conclude that, based on the two spacetimes we investigated, CTCs appearing in the solutions of the Einstein equation are not simply a mathematical artifact of coordinate identifications, but are indeed a necessary consequence of General Relativity, provided only that we demand these solutions do not possess naked quasi-regular singularities.Comment: 29 pages, 9 figure

On the magnetic stability at the surface in strongly correlated electron systems

The stability of ferromagnetism at the surface at finite temperatures is investigated within the strongly correlated Hubbard model on a semi-infinite lattice. Due to the reduced surface coordination number the effective Coulomb correlation is enhanced at the surface compared to the bulk. Therefore, within the well-known Stoner-picture of band ferromagnetism one would expect the magnetic stability at the surface to be enhanced as well. However, by taking electron correlations into account well beyond the Hartree-Fock (Stoner) level we find the opposite behavior: As a function of temperature the magnetization of the surface layer decreases faster than in the bulk. By varying the hopping integral within the surface layer this behavior becomes even more pronounced. A reduced hopping integral at the surface tends to destabilize surface ferromagnetism whereas the magnetic stability gets enhanced by an increased hopping integral. This behavior represents a pure correlation effect and can be understood in terms of general arguments which are based on exact results in the limit of strong Coulomb interaction.Comment: 6 pages, RevTeX, 4 eps figures, accepted (Phys. Rev. B), for related work and info see http://orion.physik.hu-berlin.d

Morphology of the archaellar motor and associated cytoplasmic cone in Thermococcus kodakaraensis

Archaeal swimming motility is driven by archaella: rotary motors attached to long extracellular filaments. The structure of these motors, and particularly how they are anchored in the absence of a peptidoglycan cell wall, is unknown. Here, we use electron cryotomography to visualize the archaellar basal body in vivo in Thermococcus kodakaraensis KOD1. Compared to the homologous bacterial type IV pilus (T4P), we observe structural similarities as well as several unique features. While the position of the cytoplasmic ATPase appears conserved, it is not braced by linkages that extend upward through the cell envelope as in the T4P, but rather by cytoplasmic components that attach it to a large conical frustum up to 500 nm in diameter at its base. In addition to anchoring the lophotrichous bundle of archaella, the conical frustum associates with chemosensory arrays and ribosome‐excluding material and may function as a polar organizing center for the coccoid cells

Magnetic relaxation and dipole-coupling-induced magnetization in nanostructured thin films during growth: A cluster Monte Carlo study

For growing inhomogeneous thin films with an island nanostructure similar as observed in experiment, we determine the nonequilibrium and equilibrium remanent magnetization. The single-island magnetic anisotropy, the dipole coupling, and the exchange interaction between magnetic islands are taken into account within a micromagnetic model. A cluster Monte Carlo method is developed which includes coherent magnetization changes of connected islands. This causes a fast relaxation towards equilibrium for irregularly connected systems. We analyse the transition from dipole coupled islands at low coverages to a strongly connected ferromagnetic film at high coverages during film growth. For coverages below the percolation threshold, the dipole interaction induces a collective magnetic order with ordering temperatures of 1 - 10 K for the assumed model parameters. Anisotropy causes blocking temperatures of 10 - 100 K and thus pronounced nonequilibrium effects. The dipole coupling leads to a somewhat slower magnetic relaxation.Comment: 13 pages, 6 figures, revised manuscrip

Modeling water waves beyond perturbations

In this chapter, we illustrate the advantage of variational principles for modeling water waves from an elementary practical viewpoint. The method is based on a `relaxed' variational principle, i.e., on a Lagrangian involving as many variables as possible, and imposing some suitable subordinate constraints. This approach allows the construction of approximations without necessarily relying on a small parameter. This is illustrated via simple examples, namely the Serre equations in shallow water, a generalization of the Klein-Gordon equation in deep water and how to unify these equations in arbitrary depth. The chapter ends with a discussion and caution on how this approach should be used in practice.Comment: 15 pages, 1 figure, 39 references. This document is a contributed chapter to an upcoming volume to be published by Springer in Lecture Notes in Physics Series. Other author's papers can be downloaded at http://www.denys-dutykh.com

Effective interaction between helical bio-molecules

The effective interaction between two parallel strands of helical bio-molecules, such as deoxyribose nucleic acids (DNA), is calculated using computer simulations of the "primitive" model of electrolytes. In particular we study a simple model for B-DNA incorporating explicitly its charge pattern as a double-helix structure. The effective force and the effective torque exerted onto the molecules depend on the central distance and on the relative orientation. The contributions of nonlinear screening by monovalent counterions to these forces and torques are analyzed and calculated for different salt concentrations. As a result, we find that the sign of the force depends sensitively on the relative orientation. For intermolecular distances smaller than $6\AA$ it can be both attractive and repulsive. Furthermore we report a nonmonotonic behaviour of the effective force for increasing salt concentration. Both features cannot be described within linear screening theories. For large distances, on the other hand, the results agree with linear screening theories provided the charge of the bio-molecules is suitably renormalized.Comment: 18 pages, 18 figures included in text, 100 bibliog

Fluorescent carbon dioxide indicators

Over the last decade, fluorescence has become the dominant tool in biotechnology and medical imaging. These exciting advances have been underpinned by the advances in time-resolved techniques and instrumentation, probe design, chemical / biochemical sensing, coupled with our furthered knowledge in biology. Complementary volumes 9 and 10, Advanced Concepts of Fluorescence Sensing: Small Molecule Sensing and Advanced Concepts of Fluorescence Sensing: Macromolecular Sensing, aim to summarize the current state of the art in fluorescent sensing. For this reason, Drs. Geddes and Lakowicz have invited chapters, encompassing a broad range of fluorescence sensing techniques. Some chapters deal with small molecule sensors, such as for anions, cations, and CO2, while others summarize recent advances in protein-based and macromolecular sensors. The Editors have, however, not included DNA or RNA based sensing in this volume, as this were reviewed in Volume 7 and is to be the subject of a more detailed volume in the near future

Transfer Matrices and Partition-Function Zeros for Antiferromagnetic Potts Models. V. Further Results for the Square-Lattice Chromatic Polynomial

We derive some new structural results for the transfer matrix of square-lattice Potts models with free and cylindrical boundary conditions. In particular, we obtain explicit closed-form expressions for the dominant (at large |q|) diagonal entry in the transfer matrix, for arbitrary widths m, as the solution of a special one-dimensional polymer model. We also obtain the large-q expansion of the bulk and surface (resp. corner) free energies for the zero-temperature antiferromagnet (= chromatic polynomial) through order q^{-47} (resp. q^{-46}). Finally, we compute chromatic roots for strips of widths 9 <= m <= 12 with free boundary conditions and locate roughly the limiting curves.Comment: 111 pages (LaTeX2e). Includes tex file, three sty files, and 19 Postscript figures. Also included are Mathematica files data_CYL.m and data_FREE.m. Many changes from version 1: new material on series expansions and their analysis, and several proofs of previously conjectured results. Final version to be published in J. Stat. Phy