Invariance of density correlations with charge density in polyelectrolyte solutions

We present a theory for the equilibrium structure of polyelectrolyte solutions. The main element is a simple, new optimization scheme that allows theories such as the random phase approximation (RPA) to handle the harsh repulsive forces present in such systems. Comparison is made with data from recent neutron scattering experiments of randomly charged, hydrophilic polymers in salt-free, semi-dilute solution at various charge densities. Models with varying degrees of realism are examined. The usual explanation of the invariance observed at high charge density has been counterion condensation. However, when polymer-polymer correlations are treated properly, we find that modeling polymer-counterion correlations at the level of Debye-Huckel theory is sufficient.Comment: 4 pages, 2 figure

Why do gallium clusters have a higher melting point than the bulk?

Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev. Lett. {\bf 91}, 215508 (2003)]. The specific-heat curve, calculated with the multiple-histogram technique, shows the melting temperature to be well above the bulk melting point of 303 K, viz. around 650 K and 1400 K for Ga$_{17}$ and Ga$_{13}$, respectively. The higher-than-bulk melting temperatures are attributed mainly to the covalent bonding in these clusters, in contrast with the covalent-metallic bonding in the bulk.Comment: 4 pages, including 6 figures. accepted for publication in Phys. Rev. Let

Fluctuations, stability and instability of a distributed particle filter with local exchange

We study a distributed particle filter proposed by Boli\'c et al.~(2005). This algorithm involves $m$ groups of $M$ particles, with interaction between groups occurring through a "local exchange" mechanism. We establish a central limit theorem in the regime where $M$ is fixed and $m\to\infty$. A formula we obtain for the asymptotic variance can be interpreted in terms of colliding Markov chains, enabling analytic and numerical evaluations of how the asymptotic variance behaves over time, with comparison to a benchmark algorithm consisting of $m$ independent particle filters. We prove that subject to regularity conditions, when $m$ is fixed both algorithms converge time-uniformly at rate $M^{-1/2}$. Through use of our asymptotic variance formula we give counter-examples satisfying the same regularity conditions to show that when $M$ is fixed neither algorithm, in general, converges time-uniformly at rate $m^{-1/2}$.Comment: 49 pages, 7 figure

Total energy differences between SiC polytypes revisited

The total energy differences between various SiC polytypes (3C, 6H, 4H, 2H, 15R and 9R) were calculated using the full-potential linear muffin-tin orbital method using the Perdew-Wang-(91) generalized gradient approximation to the exchange-correlation functional in the density functional method. Numerical convergence versus k-point sampling and basis set completeness are demonstrated to be better than 1 meV/atom. The parameters of several generalized anisotropic next-nearest-neighbor Ising models are extracted and their significance and consequences for epitaxial growth are discussed.Comment: 8 pages, 3 figures, Latex, uses epsfig and revte

Efficient tight-binding Monte Carlo structural sampling of complex materials

While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte Carlo algorithm that makes use of the possibility of quickly evaluating local energies. For the thermalization of a 1000-atom configuration of {\it a}-Si, this algorithm gains about an order of magnitude in speed over standard molecular dynamics. The algorithm can easily be ported to a wide range of materials and can be dynamically optimized for a maximum efficiency.Comment: 5 pages including 3 postscript figure

Entanglement in Quantum Spin Chains, Symmetry Classes of Random Matrices, and Conformal Field Theory

We compute the entropy of entanglement between the first $N$ spins and the rest of the system in the ground states of a general class of quantum spin-chains. We show that under certain conditions the entropy can be expressed in terms of averages over ensembles of random matrices. These averages can be evaluated, allowing us to prove that at critical points the entropy grows like $\kappa\log_2 N + {\tilde \kappa}$ as $N\to\infty$, where $\kappa$ and ${\tilde \kappa}$ are determined explicitly. In an important class of systems, $\kappa$ is equal to one-third of the central charge of an associated Virasoro algebra. Our expression for $\kappa$ therefore provides an explicit formula for the central charge.Comment: 4 page

The moral muteness of managers: an Anglo-American phenomenon? German and British managers and their moral reasoning about environmental sustainability in business

Several studies in the Anglo-American context have indicated that managers present themselves as morally neutral employees who act only in the best interest of the company by employing objective skills. The reluctance of managers to use moral arguments in business is further accentuated in the now common argument presented as a neutral fact that the company must always prioritise shareholder value. These and other commercial aims are seen as an objective reality in business, whilst questions about sustainability, environmental problems or fair trade are seen as emotional or moral ones; a phenomenon described as ‘moral muteness’. This research explores whether this ‘moral muteness’ is an Anglo-American phenomenon and/or whether managers in other countries - in this case Germany - might express themselves in a different way. The focus is on moral arguments around environmental sustainability and the implications of this study for cross-cultural management. This article is based on a qualitative, comparative cross-cultural study of British and German managers in the Food Retail and Energy Sectors. In line with the studies mentioned above, British managers placed a strong emphasis on their moral neutrality. In contrast, German managers tended to use moral arguments when discussing corporate greening, often giving such arguments more weight than financial arguments. Overall, the study suggests that the ‘moral muteness’ of managers is a British phenomenon and quite distinct from the German approach. The article ends in a short exploration of how this understanding can help managers better manage people, organisations and change across cultures

Small‐scale structure of the midlatitude storm enhanced density plume during the 17 March 2015 St. Patrick’s Day storm

Kilometer‐scale density irregularities in the ionosphere can cause ionospheric scintillation—a phenomenon that degrades space‐based navigation and communication signals. During strong geomagnetic storms, the midlatitude ionosphere is primed to produce these ∼1–10 km small‐scale irregularities along the steep gradients between midlatitude storm enhanced density (SED) plumes and the adjacent low‐density trough. The length scales of irregularities on the order of 1–10 km are determined from a combination of spatial, temporal, and frequency analyses using single‐station ground‐based Global Positioning System total electron content (TEC) combined with radar plasma velocity measurements. Kilometer‐scale irregularities are detected along the boundaries of the SED plume and depleted density trough during the 17 March 2015 geomagnetic storm, but not equatorward of the plume or within the plume itself. Analysis using the fast Fourier transform of high‐pass filtered slant TEC suggests that the kilometer‐scale irregularities formed near the poleward gradients of SED plumes can have similar intensity and length scales to those typically found in the aurora but are shown to be distinct phenomena in spacecraft electron precipitation measurements.Key PointsKilometer‐scale density irregularities measured in single‐station GPS TEC data from the 17 March 2015 storm enhanced density plume systemLocation, intensity, and length scales are estimated from spatial, temporal, and frequency analyses of multiple instrument dataFormation regions for small‐scale irregularities with length scales of 3‐10 km are identified for plasma velocities of 500–1200 m s−1Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/136745/1/jgra53295_am.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/136745/2/jgra53295.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/136745/3/jgra53295-sup-0001-supplementary.pd