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

An assessment of VMS-rerouting and traffic signal planning with emission objectives in an urban network — A case study for the city of Graz

This paper discusses a case study evaluating the potential impact of ITS traffic management on CO 2 and Black carbon tailpipe emissions. Results are based on extensive microsimulations performed using a calibrated VISSIM model in combination with the AIRE model for calculating the tailpipe emissions from simulated vehicle trajectories. The ITS traffic management options hereby consist of easily implementable actions such as the usage of a variable message sign (VMS) or the setting of fixed time signal plans. Our simulations show that in the current case shifting 5% of vehicles from one route to another one leads to an improvement in terms of emissions only if the VMS is complemented with an adaptation of the signal programs, while the VMS sign or the change of the signal plans alone do not yield benefits. This shows that it is not sufficient to evaluate single actions in a ceteris paribus analysis, but their joint network effects need to be taken into account

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

Fermionic R-Operator and Integrability of the One-Dimensional Hubbard Model

We propose a new type of the Yang-Baxter equation (YBE) and the decorated Yang-Baxter equation (DYBE). Those relations for the fermionic R-operator were introduced recently as a tool to treat the integrability of the fermion models. Using the YBE and the DYBE for the XX fermion model, we construct the fermionic R-operator for the one-dimensional (1D) Hubbard model. It gives another proof of the integrability of the 1D Hubbard model. Furthermore a new approach to the SO(4) symmetry of the 1D Hubbard model is discussed.Comment: 25 page

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