Optimized hydrogen positions for aluminium and iron containing hydroxide minerals

The structures of a number of hydroxide and oxyhydroxide minerals have previously been reported without the hydrogen positions explicitly defined. Here we use two atomic scale computer simulation techniques, one based on classical ionic potentials, the other on density functional theory (DFT), to predict these positions. The aim is not only to provide data that can be used as the basis for future experimental structure optimizations but also model parameters that can be used to predict complex hydroxide structures. The efficacy of the approach is demonstrated through the comparison of predicted and experimental data for minerals whose hydrogen positions are known.     

Modeling of precipitation hardening in Mg-based alloys

This work deals with the development of Mg-based alloys with enhanced properties at elevated temperatures. This is achieved by precipitation of binary phases such as MgZn₂ and Mg₂Sn during the aging of these alloys. The aim of the present work is to develop and calibrate a model for precipitation hardening in Mg-based alloys, as different types of precipitates form simultaneously. The modified Langer-Schwartz approach, while taking into account nucleation, growth and coarsening of the new phase precipitations, was used for the analysis of precipitates’ evolution and precipitation hardening during aging of Mg-based alloys. Two strengthening mechanisms associated with particle-dislocation interaction (shearing and bypassing) were considered to be operating simultaneously due to particle size-distribution. Parameters of the model, R _N i and k _{σ i} , were found by fitting of calculated densities and average sizes of precipitates with ones estimated from experiments. The effective diffusion coefficients of phase formation processes, which determine the strengthening kinetics, were estimated from the hardness maximum positions on the aging curves.     

Ugtracold Alkali Atoms in Optical Lattices: A New Type of Quantum Crystals?

Similarities between alkali gases in optical lattices with non-integer occupation of the lattice sites and quantum crystals are explored. The analogy with the vacancy liquid provides an agternative explanation to the Mott transition for the recent experiment on the phase transition in the lattice. The vacancy liquid can undergo BEC with T _c within experimental reach. Direct and vacancy-assisted mechanisms of the band motion for hyperfine impurities are discussed. The presence of vacancies can resugt in the spatial decomposition of the system into pure hyperfine components. Below BEC for the vacancies, the impurity component resembles ³He in ³He-Hell mixtures.     

Conference diary

A variational higher-order theory for bending and stretching of linearly elastic orthotropic beams including the deformations due to transverse shearing and stretching of the transverse normal fibre is presented. The theory assumes a linear distribution for the longitudinal displacement and a parabolic variation of the transverse displacement across the thickness. Additionally, independent expansions are introduced for the through-thickness displacement gradients with the requirement of a least-square compatibility for the transverse strains and the satisfaction of exact stress boundary conditions at the top/bottom beam surfaces. The theory is shown to be well suited for finite element development requiring simple C⁰- and C^?1- continuous displacement interpolation fields. To demonstrate the computational utility of the theory, a simple two-node stretching-bending finite element is formulated. The analytic and finite element results are obtained for a simple bending problem for which an exact elasticity solution is available. It is shown that the inclusion of the transverse normal deformation in the present theory enables improved displacement, strain and stress predictions, particularly, in the analysis of deep beams.     

Game AI is Dead. Long Live Game AI!

This paper discusses how the recent advances in game AI technology can help benefit industry and the academia. Some of these advances include large-scale automated art and content generation, automated storytelling, goal-driven virtual actors, and the ability to adapt to the player's preferences and mental state     

Effects of serotonin and the serotonin blocker metergoline on meal patterns and macronutrient selection

Serotonin [5-hydroxytryptamine(5-HT)] in the paraventricular nucleus (PVN) of rats has a suppressive effect on feeding behavior and causes a selective decrease in carbohydrate ingestion, specifically at the onset of the natural (dark) feeding period. Studies conducted here provide further evidence for this phenomena, showing a similar dose-related decrease in carbohydrate ingestion at dark onset after PVN injection of 5-HT or of the agonists, d-norfenfluramine or fluoxetine, which act through endogenous 5-HT. To further characterize the effects of this indoleamine on the macrostructure of feeding, a computer-automated data acquisition system was used to analyze macronutrient feeding patterns in freely feeding animals maintained on the pure diets of protein, carbohydrate, and fat. Results indicate that PVN administration of 5-HT at dark onset decreases intake of the carbohydrate nutrient by decreasing meal size, feeding time, and feeding rate for this nutrient and increasing the satiating effect of carbohydrate. These effects, which occur specifically during the first meal after injection, are opposite those seen after peripheral administration of the 5-HT receptor antagonist, metergoline. This drug stimulates feeding through a selective increase in carbohydrate intake, characterized by an increase in meal size, percent composition, and feeding time for this nutrient and a decrease in the satiety ratio for carbohydrate. These results implicate the serotonergic system in the termination of carbohydrate-rich meals that are prevalent during the early hours of the natural feeding cycle.     

Random sequence multisets for synchronous code-divisionmultiple-access channels

The effect of using randomly selected sequence multisets for the uplink of a synchronous code-division multiple-access channel is considered. A tight lower bound on the expected value of the sum capacity over the ensemble of randomly selected sequence multisets is given. For large systems, the sum rate penalty for using randomly selected multisets is shown to be at most 1 nat and to vanish as the number of users becomes large, compared to the sequence length     

Developmental and behavioral effects of prenatal primidone exposure in the rat

Pregnant Sprague-Dawley rats were administered primidone (PRM) by oral gavage on gestation days 8-17 in doses of 0.40, and 80 mg/kg. Although these doses of PRM did not produce significant differences in litter size, birth weight, mortality, date of attainment of developmental landmarks or measures of preweaning reflex and motor development, there were a number of significant differences that developed as the animals approached and entered adulthood. When tested as adults, the 80 mg/kg male rats showed a deficit in the performance of an eight-arm radial maze task. These same animals showed a significant reduction in open field activity when tested as adults. In addition, both male and female PRM-treated animals showed reduced body weights at different periods corresponding to onset of sexual maturation during development. These findings are consistent with the larger body of literature reporting on the neurobehavioral teratology of phenobarbital, including its ability to produce lesions in the hippocampus and endocrine dysfunction resulting in reproductive deficits. These results suggest that PRM produces its adverse effects as a result of its metabolism to phenobarbital, which in turn affects the limbic system.     

Measurements of thick target fission yields as a probe of fission excitation functions for deep sub-barrier energies

A close-geometry experimental technique has been developed and used to measure thick target fission yields for protons on ²³⁸U from 4.2 to 12 MeV. Fission fragments were detected at back angles by an annular photo-voltaic detector in coincidence with γ-ray registered in large NaI(Tl) detector. The neutron induced fission background was monitored by a detector on the downstream side of the thick target. Measured yields compare well with those calculated from published thin target cross sections. This method has the required sensitivity to carry out measurements at still lower energies where recent measurements give conflicting findings.