Logarithmic Corrections in the 2D XY Model

Using two sets of high-precision Monte Carlo data for the two-dimensional XY model in the Villain formulation on square $L \times L$ lattices, the scaling behavior of the susceptibility $\chi$ and correlation length $\xi$ at the Kosterlitz-Thouless phase transition is analyzed with emphasis on multiplicative logarithmic corrections $(ln L)^{-2r}$ in the finite-size scaling region and $(ln \xi)^{-2r}$ in the high-temperature phase near criticality, respectively. By analyzing the susceptibility at criticality on lattices of size up to $512^2$ we obtain $r = -0.0270(10)$, in agreement with recent work of Kenna and Irving on the the finite-size scaling of Lee-Yang zeros in the cosine formulation of the XY model. By studying susceptibilities and correlation lengths up to $\xi \approx 140$ in the high-temperature phase, however, we arrive at quite a different estimate of $r = 0.0560(17)$, which is in good agreement with recent analyses of thermodynamic Monte Carlo data and high-temperature series expansions of the cosine formulation.Comment: 13 pages, LaTeX + 8 postscript figures. See also http://www.cond-mat.physik.uni-mainz.de/~janke/doc/home_janke.htm

Thiamethoxam soil contaminations reduce fertility of soil-dwelling beetles, Aethina tumida.

There in increasing evidence for recent global insect declines. This is of major concern as insects play a critical role in ecosystem functionality and human food security. Even though environmental pollutants are known to reduce insect fertility, their potential effects on insect fitness remain poorly understood - especially for soil-dwelling species. Here, we show that fertility of soil-dwelling beetles, Aethina tumida, is reduced, on average, by half due to field-realistic neonicotinoid soil contaminations. In the laboratory, pupating beetles were exposed via soil to concentrations of the neonicotinoid thiamethoxam that reflect global pollution of agricultural and natural habitats. Emerged adult phenotypes and reproduction were measured, and even the lowest concentration reported from natural habitats reduced subsequent reproduction by 50%. The data are most likely a conservative estimate as the beetles were only exposed during pupation. Since the tested concentrations reflect ubiquitous soil pollution, the data reveal a plausible mechanism for ongoing insect declines. An immediate reduction in environmental pollutants is urgently required if our aim is to mitigate the prevailing loss of species biodiversity

Glassiness Vs. Order in Densely Frustrated Josephson Arrays

We carry out extensive Monte Carlo simulations on the Coulomb gas dual to the uniformly frustrated two dimensional XY model, for a sequence of frustrations f converging to the irraltional (3-sqrt 5)/2. We find in these systems a sharp first order equilibrium phase transition to an ordered vortex structure at a T_c which varies only slightly with f. This ordered vortex structure remains in general phase incoherent until a lower pinning transition T_p(f) that varies with f. We argue that the glassy behaviors reported for this model in earlier simulations are dynamic effects.Comment: 4 pages, 4 eps figure

Numerical Study of Order in a Gauge Glass Model

The XY model with quenched random phase shifts is studied by a T=0 finite size defect energy scaling method in 2d and 3d. The defect energy is defined by a change in the boundary conditions from those compatible with the true ground state configuration for a given realization of disorder. A numerical technique, which is exact in principle, is used to evaluate this energy and to estimate the stiffness exponent $\theta$. This method gives $\theta = -0.36\pm0.013$ in 2d and $\theta = +0.31\pm 0.015$ in 3d, which are considerably larger than previous estimates, strongly suggesting that the lower critical dimension is less than three. Some arguments in favor of these new estimates are given.Comment: 4 pages, 2 figures, revtex. Submitted to Phys. Rev. Let

Numerical Study of Spin and Chiral Order in a Two-Dimensional XY Spin Glass

The two dimensional XY spin glass is studied numerically by a finite size scaling method at T=0 in the vortex representation which allows us to compute the exact (in principle) spin and chiral domain wall energies. We confirm earlier predictions that there is no glass phase at any finite T. Our results strongly support the conjecture that both spin and chiral order have the same correlation length exponent $\nu \approx 2.70$. We obtain preliminary results in 3d.Comment: 4 pages, 2 figures, revte

Monte Carlo simulation of a two-dimensional continuum Coulomb gas

We study the classical two-dimensional Coulomb gas model for thermal vortex fluctuations in thin superconducting/superfluid films by Monte Carlo simulation of a grand canonical vortex ensemble defined on a continuum. The Kosterlitz-Thouless transition is well understood at low vortex density, but at high vortex density the nature of the phase diagram and of the vortex phase transition is less clear. From our Monte Carlo data we construct phase diagrams for the 2D Coulomb gas without any restrictions on the vortex density. For negative vortex chemical potential (positive vortex core energy) we always find a Kosterlitz-Thouless transition. Only if the Coulomb interaction is supplemented with a short-distance repulsion, a first order transition line is found, above some positive value of the vortex chemical potential.Comment: 10 pages RevTeX, 7 postscript figures included using eps

Critical Exponents of the Fully Frustrated 2-D Xy Model

We present a detailed study of the critical properties of the 2-D XY model with maximal frustration in a square lattice. We use extensive Monte Carlo simulations to study the thermodynamics of the spin and chiral degrees of freedom, concentrating on their correlation functions. The gauge invariant spin-spin correlation functions are calculated close to the critical point for lattice sizes up to $240\times 240$; the chiral correlation functions are studied on lattices up to $96\times 96$. We find that the critical exponents of the spin phase transition are $\nu=0.3069$, and $\eta=0.1915$, which are to be compared with the unfrustrated XY model exponents $\nu=1/2$ and $\eta=0.25$. We also find that the critical exponents of the chiral transition are $\nu_{\chi}=0.875$, $2\beta=0.1936$, $2\gamma= 1.82$, and $2\gamma\>\prime=1.025$, which are different from the expected 2-D Ising critical exponents. The spin-phase transition occurs at $T_{U(1)}=0.446$ which is about 7\% above the estimated chiral critical temperature $T_{Z_{2}}= 0.4206$. However, because of the size of the statistical errors, it is difficult to decide with certainty whether the transitions occur at the same or at slightly different temperatures. Finally, the jump in the helicity modulus in the fully frustrated system is found to be about 23\% below the unfrustrated universal value. The most important consequence of these results is that the fully frustrated XY model appears to be in a novel universality class. Recent successful comparisons of some of these results with experimental data are also briefly discussed. (TO APPEAR IN PRB)Comment: 47 pages (PHYZZX

Domain Wall Renormalization Group Study of XY Model with Quenched Random Phase Shifts

The XY model with quenched random disorder is studied by a zero temperature domain wall renormalization group method in 2D and 3D. Instead of the usual phase representation we use the charge (vortex) representation to compute the domain wall, or defect, energy. For the gauge glass corresponding to the maximum disorder we reconfirm earlier predictions that there is no ordered phase in 2D but an ordered phase can exist in 3D at low temperature. However, our simulations yield spin stiffness exponents $\theta_{s} \approx -0.36$ in 2D and $\theta_{s} \approx +0.31$ in 3D, which are considerably larger than previous estimates and strongly suggest that the lower critical dimension is less than three. For the $\pm J$ XY spin glass in 3D, we obtain a spin stiffness exponent $\theta_{s} \approx +0.10$ which supports the existence of spin glass order at finite temperature in contrast with previous estimates which obtain $\theta_{s}< 0$. Our method also allows us to study renormalization group flows of both the coupling constant and the disorder strength with length scale $L$. Our results are consistent with recent analytic and numerical studies suggesting the absence of a re-entrant transition in 2D at low temperature. Some possible consequences and connections with real vortex systems are discussed.Comment: 14 pages, 9 figures, revtex

Vortex Lattice Melting in 2D Superconducting Networks and Films

We carry out MC studies of 2D superconducting networks, in an applied magnetic field, for square and honeycomb geometries. We consider both dilute systems (f=1/q) and systems near full frustration (f=1/2-1/q). For the dilute case (which models a film as q->infinity), we find two transitions: at T_c(f)~1/q there is a depinning transition from a pinned to a floating vortex lattice; at T_m(f)~constant the floating vortex lattice melts into an isotropic liquid. We analyze this melting according to the Kosterlitz- Thouless theory of dislocation mediated melting, and find that the melting is weakly first order. For the case near full frustration, the system can be described in terms of the density of defects in an otherwise fully frustrated vortex pattern. We find pinned solid, floating solid, and liquid defect phases, as well as a higher sharp transition corresponding to the disordering of the fully frustrated background.Comment: 55 pages, RevTex3.0, 25 figures (available by mail by contacting [email protected]

ModelCIF: An Extension of PDBx/mmCIF Data Representation for Computed Structure Models

ModelCIF (github.com/ihmwg/ModelCIF) is a data information framework developed for and by computational structural biologists to enable delivery of Findable, Accessible, Interoperable, and Reusable (FAIR) data to users worldwide. ModelCIF describes the specific set of attributes and metadata associated with macromolecular structures modeled by solely computational methods and provides an extensible data representation for deposition, archiving, and public dissemination of predicted three-dimensional (3D) models of macromolecules. It is an extension of the Protein Data Bank Exchange / macromolecular Crystallographic Information Framework (PDBx/mmCIF), which is the global data standard for representing experimentally-determined 3D structures of macromolecules and associated metadata. The PDBx/mmCIF framework and its extensions (e.g., ModelCIF) are managed by the Worldwide Protein Data Bank partnership (wwPDB, wwpdb.org) in collaboration with relevant community stakeholders such as the wwPDB ModelCIF Working Group (wwpdb.org/task/modelcif). This semantically rich and extensible data framework for representing computed structure models (CSMs) accelerates the pace of scientific discovery. Herein, we describe the architecture, contents, and governance of ModelCIF, and tools and processes for maintaining and extending the data standard. Community tools and software libraries that support ModelCIF are also described