An efficient, multiple range random walk algorithm to calculate the density of states

We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different, restricted ranges of energy, and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy, is independent of temperature, and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.Comment: 4 pages including 4 ps fig

Polyunsaturated fatty acid-derived lipid mediators and T cell function

Copyright © 2014 Nicolaou, Mauro, Urquhart and Marelli-Berg . This is an open- access article distributed under the terms of the Creative Commons Attribution License (CC BY) . The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms

Polyunsaturated fatty acid-derived lipid mediators and T cell function

Copyright © 2014 Nicolaou, Mauro, Urquhart and Marelli-Berg . This is an open- access article distributed under the terms of the Creative Commons Attribution License (CC BY) . The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms

On the energy momentum dispersion in the lattice regularization

For a free scalar boson field and for U(1) gauge theory finite volume (infrared) and other corrections to the energy-momentum dispersion in the lattice regularization are investigated calculating energy eigenstates from the fall off behavior of two-point correlation functions. For small lattices the squared dispersion energy defined by $E_{\rm dis}^2=E_{\vec{k}}^2-E_0^2-4\sum_{i=1}^{d-1}\sin(k_i/2)^2$ is in both cases negative ($d$ is the Euclidean space-time dimension and $E_{\vec{k}}$ the energy of momentum $\vec{k}$ eigenstates). Observation of $E_{\rm dis}^2=0$ has been an accepted method to demonstrate the existence of a massless photon ($E_0=0$) in 4D lattice gauge theory, which we supplement here by a study of its finite size corrections. A surprise from the lattice regularization of the free field is that infrared corrections do {\it not} eliminate a difference between the groundstate energy $E_0$ and the mass parameter $M$ of the free scalar lattice action. Instead, the relation $E_0=\cosh^{-1} (1+M^2/2)$ is derived independently of the spatial lattice size.Comment: 9 pages, 2 figures. Parts of the paper have been rewritten and expanded to clarify the result

Glauber dynamics of phase transitions: SU(3) lattice gauge theory

Motivated by questions about the QCD deconfining phase transition, we studied in two previous papers Model A (Glauber) dynamics of 2D and 3D Potts models, focusing on structure factor evolution under heating (heating in the gauge theory notation, i.e., cooling of the spin systems). In the present paper we set for 3D Potts models (Ising and 3-state) the scale of the dynamical effects by comparing to equilibrium results at first and second order phase transition temperatures, obtained by re-weighting from a multicanonical ensemble. Our finding is that the dynamics entirely overwhelms the critical and non-critical equilibrium effects. In the second half of the paper we extend our results by investigating the Glauber dynamics of pure SU(3) lattice gauge on $N_{\tau} N_{\sigma}^3$ lattices directly under heating quenches from the confined into the deconfined regime. The exponential growth factors of the initial response are calculated, which give Debye screening mass estimates. The quench leads to competing vacuum domains of distinct $Z_3$ triality, which delay equilibration of pure gauge theory forever, while their role in full QCD remains a subtle question. As in spin systems we find for pure SU(3) gauge theory a dynamical growth of structure factors, reaching maxima which scale approximately with the volume of the system, before settling down to equilibrium. Their influence on various observables is studied and different lattice sizes are simulated to illustrate an approach to a finite volume continuum limit. Strong correlations are found during the dynamical process, but not in the deconfined phase at equilibrium.Comment: 12 pages, 18 figure

Grundstate Properties of the 3D Ising Spin Glass

We study zero--temperature properties of the 3d Edwards--Anderson Ising spin glass on finite lattices up to size $12^3$. Using multicanonical sampling we generate large numbers of groundstate configurations in thermal equilibrium. Finite size scaling with a zero--temperature scaling exponent $y = 0.74 \pm 0.12$ describes the data well. Alternatively, a descriptions in terms of Parisi mean field behaviour is still possible. The two scenarios give significantly different predictions on lattices of size $\ge 12^3$.Comment: LATEX 9pages,figures upon request ,SCRI-9

Sensitivity control of ISFETs by chemical surface modification

The response of ISFETs (ion-sensitive field-effect transistors) to concentrations of ions, especially H+ ions, is determined by the type of gate surface. Both the number of active surface sites and (proton) association and dissociation constants influence the sensitivity.\ud \ud In the case of a chemically-modified gate surface, a new surface is formed, which generally has a different sensitivity.\ud \ud It is shown that the original pH response of the gate oxide can be either lowered or increased, depending on the reactivity of the added groups. In general, coverage with apolar groups and reduction of the number of sites result in a lower pH response, while addition of basic or acidic groups as well as an increase of active sites give a higher pH response.\ud \ud Using the extended site-dissociation model, which describes the behaviour of a surface composed of two types of sites, theoretical curves for surface potential versus pH are calculated. Measurements with chemically-treated siO2 and Ta2O5 ISFETs confirm the theoretical expectations. The conclusion has been drawn that by a proper choice of chemical treatment, both the point of zero charge (pzc) and the pH-insensitive rage can be changed

Exploitation of a pH-sensitive hydrogel for CO2 detection

In this paper is described how hydrogel is exploited as sensor material for the \ud detection of carbon dioxide (CO2). A pH-sensitive hydrogel disc, which swells and deswells in response to pH changes, was clamped between a pressure sensor membrane and a porous metal screen together with a bicarbonate solution. Bicarbonate reacts with CO2 resulting in a pH change. The enclosed hydrogel will generate pressure as a response to the pH change. This pressure is a measure for the partial pressure of CO2. The main advantage of this sensor principle is the lack of a reference electrode as required for potentiometric sensors

Constrained Orthogonal Polynomials

We define sets of orthogonal polynomials satisfying the additional constraint of a vanishing average. These are of interest, for example, for the study of the Hohenberg-Kohn functional for electronic or nucleonic densities and for the study of density fluctuations in centrifuges. We give explicit properties of such polynomial sets, generalizing Laguerre and Legendre polynomials. The nature of the dimension 1 subspace completing such sets is described. A numerical example illustrates the use of such polynomials.Comment: 11 pages, 10 figure