NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface

An algorithm is derived for computer simulation of geodesics on the constant potential-energy hypersurface of a system of N classical particles. First, a basic time-reversible geodesic algorithm is derived by discretizing the geodesic stationarity condition and implementing the constant potential energy constraint via standard Lagrangian multipliers. The basic NVU algorithm is tested by single-precision computer simulations of the Lennard-Jones liquid. Excellent numerical stability is obtained if the force cutoff is smoothed and the two initial configurations have identical potential energy within machine precision. Nevertheless, just as for NVE algorithms, stabilizers are needed for very long runs in order to compensate for the accumulation of numerical errors that eventually lead to "entropic drift" of the potential energy towards higher values. A modification of the basic NVU algorithm is introduced that ensures potential-energy and step-length conservation; center-of-mass drift is also eliminated. Analytical arguments confirmed by simulations demonstrate that the modified NVU algorithm is absolutely stable. Finally, simulations show that the NVU algorithm and the standard leap-frog NVE algorithm have identical radial distribution functions for the Lennard-Jones liquid

A Class of Parameter Dependent Commuting Matrices

We present a novel class of real symmetric matrices in arbitrary dimension $d$, linearly dependent on a parameter $x$. The matrix elements satisfy a set of nontrivial constraints that arise from asking for commutation of pairs of such matrices for all $x$, and an intuitive sufficiency condition for the solvability of certain linear equations that arise therefrom. This class of matrices generically violate the Wigner von Neumann non crossing rule, and is argued to be intimately connected with finite dimensional Hamiltonians of quantum integrable systems.Comment: Latex, Added References, Typos correcte

Occurrence of Salmonella spp. in flies and foodstuff from pork butcheries in Kampala, Uganda

Food-borne diseases such as salmonellosis are a major cause of human gastroenteritis worldwide, especially in the developing world due to poor sanitary conditions. Flies feed on food and breed in feces and other organic material. As such they are known vectors of Salmonella spp. Given that pork consumption in Uganda is rapidly increasing while good food safety practices remain absent, this study aims to assess the occurrence of Salmonella spp. in pork butcheries as a contribution to improve hygiene. Seventy-seven pork butcheries out of 179 mapped in a previous survey in Kampala were randomly selected. From June–October 2014, samples of house flies, foodstuff and equipment were collected from all butcheries. Cultural isolation of Salmonella spp. was performed according to ISO 6579:2002. Among 693 samples, 64 (9%) tested positive for Salmonella enteritidis. Among the positives, 32% were samples of raw pork (25), 25% flies’ midguts (19), less than 9% water (7), tomatoes (6), cabbage (4), onions (2) and one case on roasted pork1, respectively. Positive flies coincided with contaminated foodstuff in 29% of the butcheries. All 154 samples from either butchers’ hands or their equipment were negative for Salmonella spp. The prevalence of S. enteritidis, especially on raw pork and in flies, illustrates the need for improving food safety in pork butcheries. Further research is required clarifying the gaps; especially the role of flies as microbiological carriers. In this context investigations are ongoing to identify Salmonella serotypes and their antimicrobial drug-resistance situation. However, these findings merit increased attention and can be used to improve knowledge, attitudes and practices amongst butchers. The research was carried out with the financial support of the Federal Ministry for Economic Cooperation and Development (BMZ), Germany, and the CGIAR Research Program on Agriculture for Nutrition and Health, led by the International Food Policy Research Institute, through the Safe Food, Fair Food project at ILRI. Martin Heilmann got a scholarship from the German Academic Exchange Service (DAAD)

Sublinear-Time Algorithms for Monomer-Dimer Systems on Bounded Degree Graphs

For a graph $G$, let $Z(G,\lambda)$ be the partition function of the monomer-dimer system defined by $\sum_k m_k(G)\lambda^k$, where $m_k(G)$ is the number of matchings of size $k$ in $G$. We consider graphs of bounded degree and develop a sublinear-time algorithm for estimating $\log Z(G,\lambda)$ at an arbitrary value $\lambda>0$ within additive error $\epsilon n$ with high probability. The query complexity of our algorithm does not depend on the size of $G$ and is polynomial in $1/\epsilon$, and we also provide a lower bound quadratic in $1/\epsilon$ for this problem. This is the first analysis of a sublinear-time approximation algorithm for a # P-complete problem. Our approach is based on the correlation decay of the Gibbs distribution associated with $Z(G,\lambda)$. We show that our algorithm approximates the probability for a vertex to be covered by a matching, sampled according to this Gibbs distribution, in a near-optimal sublinear time. We extend our results to approximate the average size and the entropy of such a matching within an additive error with high probability, where again the query complexity is polynomial in $1/\epsilon$ and the lower bound is quadratic in $1/\epsilon$. Our algorithms are simple to implement and of practical use when dealing with massive datasets. Our results extend to other systems where the correlation decay is known to hold as for the independent set problem up to the critical activity

Algebraic Bethe ansatz approach for the one-dimensional Hubbard model

We formulate in terms of the quantum inverse scattering method the algebraic Bethe ansatz solution of the one-dimensional Hubbard model. The method developed is based on a new set of commutation relations which encodes a hidden symmetry of 6-vertex type.Comment: appendix additioned with Boltzmann weigths and R-matrix. Version to be published in J.Phys.A:math.Gen. (1997

Spectral microscopic mechanisms and quantum phase transitions in a 1D correlated problem

In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion $U$. We find that for the doped Mott-Hubbard insulator there is a competition between the microscopic processes that generate the one-electron upper-Hubbard band spectral-weight distributions of the Mott-Hubbard insulating phase and finite-doping-concentration metallic phase, respectively. The spectral-weight distributions generated by the non-perturbative processes studied here are shown elsewhere to agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in quasi-one-dimensional compounds.Comment: 18 pages, 2 figure

Air quality impact of a decision support system for reducing pollutant emissions: CARBOTRAF

Traffic congestion with frequent “stop & go” situations causes substantial pollutant emissions. Black carbon (BC) is a good indicator of combustion-related air pollution and results in negative health effects. Both BC and CO2 emissions are also known to contribute significantly to global warming. Current traffic control systems are designed to improve traffic flow and reduce congestion. The CARBOTRAF system combines real-time monitoring of traffic and air pollution with simulation models for emission and local air quality prediction in order to deliver on-line recommendations for alternative adaptive traffic management. The aim of introducing a CARBOTRAF system is to reduce BC and CO2 emissions and improve air quality by optimizing the traffic flows. The system is implemented and evaluated in two pilot cities, Graz and Glasgow. Model simulations link traffic states to emission and air quality levels. A chain of models combines micro-scale traffic simulations, traffic volumes, emission models and air quality simulations. This process is completed for several ITS scenarios and a range of traffic boundary conditions. The real-time DSS system uses these off-line model simulations to select optimal traffic and air quality scenarios. Traffic and BC concentrations are simultaneously monitored. In this paper the effects of ITS measures on air quality are analysed with a focus on BC

Dynamical Structure Factors of the S=1/2 Bond-Alternating Spin Chain with a Next-Nearest-Neighbor Interaction in Magnetic Fields

The dynamical structure factor of the S=1/2 bond-alternating spin chain with a next-nearest-neighbor interaction in magnetic field is investigated using the continued fraction method based on the Lanczos algorithm. When the plateau exists on the magnetization curve, the longitudinal dynamical structure factor shows a large intensity with a periodic dispersion relation, while the transverse one shows a large intensity with an almost dispersionless mode. The periodicity and the amplitude of the dispersion relation in the longitudinal dynamical structure factor are sensitive to the coupling constants. The dynamical structure factor of the S=1/2 two-leg ladder in magnetic field is also calculated in the strong interchain-coupling regime. The dynamical structure factor shows gapless or gapful behavior depending on the wave vector along the rung.Comment: 8 pages, 4 figures, to appear in Journal of the Physical Society of Japan, vol. 69, no. 10, (2000

SO(4) Symmetry of the Transfer Matrix for the One-Dimensional Hubbard Model

The SO(4) invariance of the transfer matrix for the one-dimensional Hubbard model is clarified from the QISM (quantum inverse scattering method) point of view. We demonstrate the SO(4) symmetry by means of the fermionic R-matrix, which satisfy the graded Yang-Baxter relation. The transformation law of the fermionic L-operator under the SO(4) rotation is identified with a kind of gauge transformation, which determines the corresponding transformation of the fermionic creation and annihilation operators under the SO(4) rotation. The transfer matrix is confirmed to be invariant under the SO(4) rotation, which ensures the SO(4) invariance of the conserved currents including the Hamiltonian. Furthermore, we show that the representation of the higher conserved currents in terms of the Clifford algebra gives manifestly SO(4) invariant forms.Comment: 20 pages, LaTeX file using citesort.st

Cross-polarized photon-pair generation and bi-chromatically pumped optical parametric oscillation on a chip

Nonlinear optical processes are one of the most important tools in modern optics with a broad spectrum of applications in, for example, frequency conversion, spectroscopy, signal processing and quantum optics. For practical and ultimately widespread implementation, on-chip devices compatible with electronic integrated circuit technology offer great advantages in terms of low cost, small footprint, high performance and low energy consumption. While many on-chip key components have been realized, to date polarization has not been fully exploited as a degree of freedom for integrated nonlinear devices. In particular, frequency conversion based on orthogonally polarized beams has not yet been demonstrated on chip. Here we show frequency mixing between orthogonal polarization modes in a compact integrated microring resonator and demonstrate a bi-chromatically pumped optical parametric oscillator. Operating the device above and below threshold, we directly generate orthogonally polarized beams, as well as photon pairs, respectively, that can find applications, for example, in optical communication and quantum optics