2-D R-matrix propagation: A large scale electron scattering simulation dominated by the multiplication of dynamically changing matrices

We examine the computational aspects of propagating a global R-matrix, R, across sub-regions in a 2-D plane. This problem originates in the large scale simulation of electron collisions with atoms and ions at intermediate energies. The propagation is dominated by matrix multiplications which are complicated because of the dynamic nature of R, which changes the designations of its rows and columns and grows in size as the propagation proceeds. The use of PBLAS to solve this problem on distributed memory HPC machines is the main focus of the paper.

The evolution of authoritarian processes: Fostering cooperation in large-scale groups

Authoritarianism, comprising conventionalism, authoritarian submission, and authoritarian aggression, is an important factor underlying prejudice and social discrimination and therefore is typically perceived as socially problematic. In contrast, our work examines adaptive features of authoritarianism. Evolutionary game theoretical considerations (e.g., biased social learning) point to authoritarian psychological processes that establish and foster group life (e.g., high levels of ingroup cooperation). First, the evolution of social learning (particularly conformist and prestige biases) leads to the establishment of local and distinct cultural groups (conventionalism). Second, local cultural rules solve coordination dilemmas by transforming these rules into normative standards against which others are evaluated (authoritarian submission). Third, the common rules within a particular culture or group are reinforced by a tendency to reward norm compliance and punish norm deviations (authoritarian aggression). Implications regarding the deduction of novel research questions as well as dealing with authoritarianism as a social problem are discussed.

Providing QoS for networked peers in distributed haptic virtual environments

Haptic information originates from a different human sense (touch), therefore the quality of service (QoS) required to supporthaptic traffic is significantly different from that used to support conventional real-time traffic such as voice or video. Each type ofnetwork impairment has different (and severe) impacts on the user’s haptic experience. There has been no specific provision of QoSparameters for haptic interaction. Previous research into distributed haptic virtual environments (DHVEs) have concentrated onsynchronization of positions (haptic device or virtual objects), and are based on client-server architectures.We present a new peerto-peer DHVE architecture that further extends this to enable force interactions between two users whereby force data are sent tothe remote peer in addition to positional information. The work presented involves both simulation and practical experimentationwhere multimodal data is transmitted over a QoS-enabled IP network. Both forms of experiment produce consistent results whichshow that the use of specific QoS classes for haptic traffic will reduce network delay and jitter, leading to improvements in users’haptic experiences with these types of applications.

Wear paths produced by individual hip-replacement patients— A large-scale, long-term follow-up study

Wear particle accumulation is one of the main contributors to osteolysis and implant failure in hip replacements. Altered kinematics produce significant differences in wear rates of hip replacements in simulator studies due to varying degrees of multidirectional motion. Gait analysis data from 153 hip-replacement patients 10-years post-operation were used to model two- and three-dimensional wear paths for each patient. Wear paths were quantified in two dimensions using aspect ratios and in three dimensions using the surface areas of the wear paths, with wear-path surface area correlating poorly with aspect ratio. The average aspect ratio of the patients wear paths was 3.97 (standard deviation ¼ 1.38), ranging from 2.13 to 10.86. Sixty percent of patients displayed aspect ratios between 2.50 and 3.99. However, 13% of patients displayed wear paths with aspect ratios 45.5, which indicates reduced multidirectional motion. The majority of total hip replacement (THR) patients display gait kinematics which produce multidirectional wear paths, but a significant minority display more linear paths.

Large-scale density functional calculations of the surface properties of the Wigner crystal

The surface properties of the jellium model have been investigated by large supercell computations in the density functional theory-local spin-density (DFT-LSD) approach for planar slabs with up to 1000 electrons. A wide interval of densities has been explored, extending into the stability range of the Wigner crystal. Most computations have been carried out on nominally paramagnetic samples with an equal number of spin-up and spin-down electrons. The results show that within DFT-LSD spontaneous spin polarization and charge localization start nearly simultaneously at the surface for r(s) similar to 20, then, with decreasing density, they progress toward the center of the slab. Electrons are fully localized and spin polarized at r(s) = 30. At this density the charge distribution is the superposition of disjoint charge blobs, each corresponding to one electron. The distribution of blobs displays both regularities and disorder, the first being represented by well-defined planes and simple in-plane geometries, and the latter by a variety of surface defects. The surface energy, surface dipole, electric polarisability, and magnetization pattern have been determined as a function of density. All these quantities display characteristic anomalies at the density of the localization transition. The analysis of the low-frequency electric conductivity shows that in the fluid paramagnetic regime the in-plane current preferentially flows in the central region of the slab and the two spin channels are equally conducting. In the charge localized, spin-polarized regime, conductivity is primarily a surface effect, and an apparent asymmetry is observed in the two spin currents.

Large-scale association analysis identifies 13 new susceptibility loci for coronary artery disease

We performed a meta-analysis of 14 genome-wide association studies of coronary artery disease (CAD) comprising 22,233 individuals with CAD (cases) and 64,762 controls of European descent followed by genotyping of top association signals in 56,682 additional individuals. This analysis identified 13 loci newly associated with CAD at P < 5 x 10(-8) and confirmed the association of 10 of 12 previously reported CAD loci. The 13 new loci showed risk allele frequencies ranging from 0.13 to 0.91 and were associated with a 6% to 17% increase in the risk of CAD per allele. Notably, only three of the new loci showed significant association with traditional CAD risk factors and the majority lie in gene regions not previously implicated in the pathogenesis of CAD. Finally, five of the new CAD risk loci appear to have pleiotropic effects, showing strong association with various other human diseases or traits.