The Potential of Restarts for ProbSAT

This work analyses the potential of restarts for probSAT, a quite successful algorithm for k-SAT, by estimating its runtime distributions on random 3-SAT instances that are close to the phase transition. We estimate an optimal restart time from empirical data, reaching a potential speedup factor of 1.39. Calculating restart times from fitted probability distributions reduces this factor to a maximum of 1.30. A spin-off result is that the Weibull distribution approximates the runtime distribution for over 93% of the used instances well. A machine learning pipeline is presented to compute a restart time for a fixed-cutoff strategy to exploit this potential. The main components of the pipeline are a random forest for determining the distribution type and a neural network for the distribution's parameters. ProbSAT performs statistically significantly better than Luby's restart strategy and the policy without restarts when using the presented approach. The structure is particularly advantageous on hard problems.Comment: Eurocast 201

Isoscalar meson spectroscopy from lattice QCD

We extract to high statistical precision an excited spectrum of single-particle isoscalar mesons using lattice QCD, including states of high spin and, for the first time, light exotic JPC isoscalars. The use of a novel quark field construction has enabled us to overcome the long-standing challenge of efficiently including quark-annihilation contributions. Hidden-flavor mixing angles are extracted and while most states are found to be close to ideally flavor mixed, there are examples of large mixing in the pseudoscalar and axial sectors in line with experiment. The exotic JPC isoscalar states appear at a mass scale comparable to the exotic isovector states.Comment: 4 pages, 4 figure

Towards a simplified description of thermoelectric materials: Accuracy of approximate density functional theory for phonon dispersions

We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently accurate phonon frequencies and group velocities to compute reliable thermoelectric properties. To this end, the results are compared to available DFT results and experimental data. To quantify the accuracy for a given band, a descriptor is introduced that summarizes contributions to the lattice conductivity that are available already in the harmonic approximation. We find that the DFTB predictions depend strongly on the employed repulsive pair-potentials, which are an important prerequisite of this method. For carbon-based materials, accurate pair-potentials are identified and lead to errors of the descriptor that are of the same order as differences between different local and semi-local DFT approaches

Nonadiabatic effects in the H+H_2 exchange reaction: accurate quantum dynamics calculations at a state-to-state level

Real wave packet propagations were carried out on both a single ground electronic state and two-coupled-electronic states of the title reaction to investigate the extent of nonadiabatic effects on the distinguishable-atom reaction cross sections. The latest diabatic potential matrix of Abrol and Kuppermann [J. Chem. Phys. 116, 1035 (2002)] was employed in the present nonadiabatic quantum state-to-state scattering calculations over a total energy range-from threshold (the zero point of the reagent H_2) to 3.0 eV. Based on the assumption that the hydrogen atoms are distinguishable in the collisions where the inelastic and elastic ones are excluded, no significant nonadiabatic effects have been found in the calculations of the full state-to-state integral and differential cross sections up to a total energy of 3.0 eV for product vibrational levels v' = 0, 1, 2, 3. Our results therefore confirm the recent and the previous studies of the geometric phase effects in H+H_2 employing a different diabatic double many-body expansion potential matrix or a different BKMP2 potential energy surface

Solution heat treatment, forming and in-die quenching of a commercial sheet magnesium alloy into a complex-shaped component: experimentation and FE analysis

Interest in lightweight materials, particularly magnesium alloys, has increased significantly with rising efficiency requirements in the automotive sector. Magnesium is the lightest available structural metal, with a density approximately 35% lower than that of aluminium. The potential is great for magnesium to become a primary material used in future low carbon vehicle structures; however, there are significant obstacles, namely low ductility and formability, particularly at room temperature. The aim of this work is to present the feasibility of using the solution Heat treatment, Forming, and in-die Quenching (HFQ) process to produce complex shapes from a sheet magnesium alloy, and to use the results to verify a simulation of the process developed using commercial FE software. Uniaxial tensile tests were initially conducted to establish the optimum parameters for forming the part. Stamping trials were then carried out using these parameters, and a simulation set up modelling the forming operation. It was shown that the HFQ process could be used to form a successful component from this alloy, and that a good match was achieved between the results of the forming experiments and the simulation.The authors gratefully acknowledge the support from the EPSRC (Grant Ref: EP/I038616/1) for TARF-LCV: Towards Affordable, Closed-Loop Recyclable Future Low Carbon Vehicle Structures

A novel quark-field creation operator construction for hadronic physics in lattice QCD

A new quark-field smearing algorithm is defined which enables efficient calculations of a broad range of hadron correlation functions. The technique applies a low-rank operator to define smooth fields that are to be used in hadron creation operators. The resulting space of smooth fields is small enough that all elements of the reduced quark propagator can be computed exactly at reasonable computational cost. Correlations between arbitrary sources, including multi hadron operators can be computed a posteriori without requiring new lattice Dirac operator inversions. The method is tested on realistic lattice sizes with light dynamical quarks.Comment: 14 pages, 9 figure

Scattering solutions of the spinless Salpeter equation

A method to compute the scattering solutions of a spinless Salpeter equation (or a Schrodinger equation) with a central interaction is presented. This method relies on the 3-dimensional Fourier grid Hamiltonian method used to compute bound states. It requires only the evaluation of the potential at equally spaced grid points and yields the radial part of the scattering solution at the same grid points. It can be easily extended to the case of coupled channel equations and to the case of non-local interactions.Comment: 7 page

Central and Peripheral Neurological Abnormalities in HIV-Infection.

This short review directed the attention toward the central and peripheral neurological disorders associated with human immunodeficiency virus infection. The probable pathogenesis and possible treatments are also mentioned briefly