Rugged Metropolis Sampling with Simultaneous Updating of Two Dynamical Variables

The Rugged Metropolis (RM) algorithm is a biased updating scheme, which aims at directly hitting the most likely configurations in a rugged free energy landscape. Details of the one-variable (RM$_1$) implementation of this algorithm are presented. This is followed by an extension to simultaneous updating of two dynamical variables (RM$_2$). In a test with Met-Enkephalin in vacuum RM$_2$ improves conventional Metropolis simulations by a factor of about four. Correlations between three or more dihedral angles appear to prevent larger improvements at low temperatures. We also investigate a multi-hit Metropolis scheme, which spends more CPU time on variables with large autocorrelation times.Comment: 8 pages, 5 figures. Revisions after referee reports. Additional simulations for temperatures down to 220

Epitaxial LaFeAsOF thin films grown by pulsed laser deposition

Superconducting and epitaxially grown LaFeAsOF thin films were successfully prepared on (001)-oriented LaAlO3 substrates using pulsed laser deposition. The prepared thin films show exclusively a single in-plane orientation with epitaxial relation (001)[100] parallel to (001)[100] and a FWHM value of 1deg. Furthermore, resistive measurement of the superconducting transition temperature revealed a Tc90 of 25K with a high residual resistive ratio of 6.8. The applied preparation technique, standard thin film pulsed laser deposition at room temperature in combination with a subsequent post annealing process, is suitable for fabrication of high quality LaFeAsO1-xFx thin films. A high upper critical field of 76.2 T was evaluated for magnetic fields applied perpendicular to the c-axis and the anisotropy was calculated to be 3.3 assuming single band superconductivity.Comment: 6 pages, 4 Figure

Stability of Nonlinear Control Systems by the Second Method of Liapunov

This report investigates the stability of autonomous closed-loop control systems containing nonlinear elements. An n-th order nonlinear autonomous system is described by a set of n first order differential equations of the type dxi/dt=xi(x1, x2, …xn) i=1,2,…n. Liapunov\u27s second (direct) method is used in the stability analysis of such systems. This method enables one to prove that a system is stable (or unstable) if a function V=V (x1, x2, … xn) can be found which, together with its time derivative, satisfies the requirements of Liapunov\u27s stability (or instability) theorems. At the present time, there are no generally applicable straight forward procedures available for constructing these Liapunov\u27s functions. Several Liapunov\u27s functions, applicable to systems described in the canonic form of differential equations, have been reported in the literature. In this report, it is shown that any autonomous closed-loop system containing a single nonlinear element can be described by canonic differential equations. The stability criteria derived from the Liapunov\u27s functions for canonic systems give sufficient and not necessary conditions for stability. It is known that these criteria reject many systems which are actually stable. The reasons why stable systems are sometimes rejected by these simplified stability criteria are investigated in the report. It is found that a closed-loop system will always be rejected by these simplified stabi1ity criteria if the root locus of the transfer function G(s), representing the linear portion of the system, is not confined to the left-half of the s-plane for all positive values of the loop gain. A pole-shifting technique and a zero-shifting technique, extending -the applicability of the simplified stability criteria to systems that are stable for sufficiently high and/or sufficiently low values of the loop gain, are proposed in this report. New simplified stability criteria have been developed which incorporate the changes in the canonic form of differential equations caused by the application of the zero-shifting technique. Other methods of constructing Liapunov\u27s functions for nonlinear control systems are presented in Chapter III, These include the work of Pliss, Aizerman and Krasovski. Numerous other procedures, which have been reported in literature, apply to only very special cases of automatic control systems. No attempt has been made to account for all of these special cases and the presentation of methods of constructing Liapunov’s functions is limited to only those which are more generally applicable. A pseudo-canonic transformation has been developed which enables one to find stability criteria of canonic systems without the use of complex variables. The results of this research indicate that the second method of Liapunov is a very powerfuI tool of exact stability analysis of nonlinear systems. Additional research, especially in the direction of the methods of construction of Liapunov’s functions, will not only yield new analysis and synthesis procedures, but also will aid in arriving at a set of meaningful performance specifications for nonlinear control systems

Specification and Data Presentation in Linear Control Systems-Part Two

This is the second part of a 2 volume report on the specification and data presentation in linear control systems. This volume deals with Sample Data Systems, Linear Time Variable Parameter Systems, and Performance Indices, which are respectively Chapter II, III, and IV of the volume. Since these subjects are somewhat unrelated, a separate abstract is given at the beginning of each chapter, with the exception of the introductory Chapter I. The separate chapter abstracts are repeated here for the convenience of the reader. Abstract - Linear Sampled Data Control Systems The specifications recommended, for use with sampled data control systems are those recommended for linear, continuous systems [1]. These specifications must be supplemented, as is dictated by the requirements of a particular system, by compatibility considerations that are detailed in the following sections. Abstract - The Specification of Linear Time Variable Parameter Systems Linear time variable parameter (LTVP) systems are defined and subdivided into those systems with fast or slow variations and/or large or small variations. The methods of analysis of such systems are reviewed, and the following recommendations are made. Specifications 1) Time Domain Specifications (a) LTVP systems with fast variation of parameters. Simulated unfrozen system step function responses should all lie within a prescribed envelope. Whenever possible, the actual system response should be obtained. (b) LTVP systems with slow variation of parameters. Simulated or actual frozen or unfrozen system step function responses should all lie within a prescribed envelope. 2) Frequency Domain Specifications (a) LTVP system with fast variation of parameters. Frequency domain specifications are not recommended. (b) LTFP system with slow variation of parameters. The family of frequency response curves of the system frozen at different instants should all lie within a predetermined envelope. Data Presentation It is recommended that the region of variation of closed loop poles of the frozen system be exhibited on the complex plane. Thus, for example, if the only varying parameter is an open loop gain, then the region of variation of the closed loop poles will correspond to the root loci over the total range of variation of gain. It is also recommended that a family of Nyquist diagrams corresponding to the system frozen at different instants be displayed in the case of system with slow variations of parameters. Abstract - Performance Index This study was undertaken to determine whether or not Performance Indices should be used to evaluate and specify control systems* It is recommended that they not be used at this time by the Air Force for the stated purpose. A performance index is defined and detailed discussions are presented for the various performance indices. Analytical methods for evaluating performance indices are presented

Dissociative electron attachment to the H2O molecule. II. Nuclear dynamics on coupled electronic surfaces within the local complex potential model

We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by using the multi-configuration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential-energy surfaces for the three (doublet B1, doublet A1, and doublet B2) electronic Feshbach resonances involved in this process. These three metastable states of H2O- undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the B1 and A1 states as well as the conical intersection between the A1 and B2 states into our treatment. The nuclear dynamics are inherently multidimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the local complex potential model to such a complicated resonant system.Comment: Corrected version of Phys Rev A 75, 012711 (2007

Integrabilities of the t−Jt-J Model with Impurities

The hamiltonian with magnetic impurities coupled to the strongly correlated electron system is constructed from $t-J$ model. And it is diagonalized exactly by using the Bethe ansatz method. Our boundary matrices depend on the spins of the electrons. The Kondo problem in this system is discussed in details. The integral equations are derived with complex rapidities which describe the bound states in the system. The finite-size corrections for the ground-state energies are obtained.Comment: 24 pages, Revtex, To be published in J. Phys.

Discrimination of Overt, Mouthed, and Imagined Speech Activity using Stereotactic EEG

Recent studies have demonstrated that it is possible to decode and synthesize acoustic speech directly from intracranial measurements of brain activity. A current major challenge is to extend the efficacy of this decoding to imagined speech processes toward the development of a practical speech neuroprosthesis for the disabled. The present study used intracranial brain recordings from participants that performed a speaking task consisting of overt, mouthed, and imagined speech trials. In order to better elucidate the unique neural features that contribute to the discrepancies between overt and imagined model performance, rather than directly comparing the performance of speech decoding models trained on respective speaking modes, this study developed and trained models that use neural data to discriminate between pairs of speaking modes. The results further support that, while there exists a common neural substrate across speech modes, there are also unique neural processes that differentiate speech modes

The PDZ domain of the SpoIVB serine peptidase facilitates multiple functions

During spore formation in Bacillus subtilis, the SpoIVB protein is a critical component of the sigma (K) regulatory checkpoint. SpoIVB has been shown to be a serine peptidase that is synthesized in the spore chamber and which self-cleaves, releasing active forms. These forms can signal proteolytic processing of the transcription factor sigma (K) in the outer mother cell chamber of the sporulating cell. This forms the basis of the sigma (K) checkpoint and ensures accurate sigma (K)-controlled gene expression. SpoIVB has also been shown to activate a second distinct process, termed the second function, which is essential for the formation of heat-resistant spores. In addition to the serine peptidase domain, SpoIVB contains a PDZ domain. We have altered a number of conserved residues in the PDZ domain by site-directed mutagenesis and assayed the sporulation phenotype and signaling properties of mutant SpoIVB proteins. Our work has revealed that the SpoIVB PDZ domain could be used for up to four distinct processes, (i) targeting of itself for trans proteolysis, (11) binding to the protease inhibitor BofC, (iii) signaling of pro-sigma (K) processing, and (iv) signaling of the second function of SpoIVB

Estimations of electron-positron pair production at high-intensity laser interaction with high-Z targets

Electron-positron pairs' generation occuring in the interaction of $10^{18}$-$10^{20}$~W/cm$^2$ laser radiation with high-Z targets are examined. Computational results are presented for the pair production and the positron yield from the target with allowance for the contribution of pair production processes due to electrons and bremsstrahlung photons. Monte-Carlo simulations using the PRIZMA code confirm the estimates obtained. The possible positron yield from high-Z targets irradiated by picosecond lasers of power $10^2$-$10^3$~TW is estimated to be $10^9$-$10^{11}$

Drinfeld Twists and Symmetric Bethe Vectors of Supersymmetric Fermion Models

We construct the Drinfeld twists (factorizing $F$-matrices) of the $gl(m|n)$-invariant fermion model. Completely symmetric representation of the pseudo-particle creation operators of the model are obtained in the basis provided by the $F$-matrix (the $F$-basis). We resolve the hierarchy of the nested Bethe vectors in the $F$-basis for the $gl(m|n)$ supersymmetric model.Comment: Latex File, 24 pages, no figure, some misprints are correcte