Comparing and characterizing some constructions of canonical bases from Coxeter systems

The Iwahori-Hecke algebra $\mathcal{H}$ of a Coxeter system $(W,S)$ has a "standard basis" indexed by the elements of $W$ and a "bar involution" given by a certain antilinear map. Together, these form an example of what Webster calls a pre-canonical structure, relative to which the well-known Kazhdan-Lusztig basis of $\mathcal{H}$ is a canonical basis. Lusztig and Vogan have defined a representation of a modified Iwahori-Hecke algebra on the free $\mathbb{Z}[v,v^{-1}]$-module generated by the set of twisted involutions in $W$, and shown that this module has a unique pre-canonical structure satisfying a certain compatibility condition, which admits its own canonical basis which can be viewed as a generalization of the Kazhdan-Lusztig basis. One can modify the parameters defining Lusztig and Vogan's module to obtain other pre-canonical structures, each of which admits a unique canonical basis indexed by twisted involutions. We classify all of the pre-canonical structures which arise in this fashion, and explain the relationships between their resulting canonical bases. While some of these canonical bases are related in a trivial fashion to Lusztig and Vogan's construction, others appear to have no simple relation to what has been previously studied. Along the way, we also clarify the differences between Webster's notion of a canonical basis and the related concepts of an IC basis and a $P$-kernel.Comment: 32 pages; v2: additional discussion of relationship between canonical bases, IC bases, and P-kernels; v3: minor revisions; v4: a few corrections and updated references, final versio

Configurational order-disorder induced metal-nonmetal transition in B13_{13}C2_{2} studied with first-principles superatom-special quasirandom structure method

Due to a large discrepancy between theory and experiment, the electronic character of crystalline boron carbide B$_{13}$C$_{2}$ has been a controversial topic in the field of icosahedral boron-rich solids. We demonstrate that this discrepancy is removed when configurational disorder is accurately considered in the theoretical calculations. We find that while ordered ground state B$_{13}$C$_{2}$ is metallic, configurationally disordered B$_{13}$C$_{2}$, modeled with a superatom-special quasirandom structure method, goes through a metal to non-metal transition as the degree of disorder is increased with increasing temperature. Specifically, one of the chain-end carbon atoms in the CBC chains substitutes a neighboring equatorial boron atom in a B$_{12}$ icosahedron bonded to it, giving rise to a B$_{11}$C$^{e}$(BBC) unit. The atomic configuration of the substitutionally disordered B$_{13}$C$_{2}$ thus tends to be dominated by a mixture between B$_{12}$(CBC) and B$_{11}$C$^{e}$(BBC). Due to splitting of valence states in B$_{11}$C$^{e}$(BBC), the electron deficiency in B$_{12}$(CBC) is gradually compensated

Origin of the anomalous piezoelectric response in wurtzite Scx_xAl1−x_{1-x}N alloys

The origin of the anomalous, 400% increase of the piezoelectric coefficient in Sc$_x$Al$_{1-x}$N alloys is revealed. Quantum mechanical calculations show that the effect is intrinsic. It comes from a strong change in the response of the internal atomic coordinates to strain and pronounced softening of C$_{33}$ elastic constant. The underlying mechanism is the flattening of the energy landscape due to a competition between the parent wurtzite and the so far experimentally unknown hexagonal phases of the alloy. Our observation provides a route for the design of materials with high piezoelectric response.Comment: 10 pages, 4 figures, accepted for publication in Phys. Rev. Let

Lightside Atmospheric Revitalization System

The system was studied as a replacement to the present baseline LiOH system for extended duration shuttle missions. The system consists of three subsystems: a solid amine water desorbed regenerable carbon dioxide removal system, a water vapor electrolysis oxygen generating system, and a Sabatier reactor carbon dioxide reduction system. The system is designed for use on a solar powered shuttle vehicle. The majority of the system's power requirements are utilized on the Sun side of each orbit, when solar power is available

A reply to “Historical construction costs of global nuclear power reactors”

Lovering et al. (2016) present data on the overnight costs of more than half of nuclear reactors built worldwide since the beginning of the nuclear age. The authors claim that this consolidated data set offers more accurate insights than previous country-level assessments. Unfortunately, the authors make analytical choices that mask nuclear power's real construction costs, cherry pick data, and include misleading data on early experimental and demonstration reactors. For those reasons, serious students of such issues should look elsewhere for guidance about understanding the true costs of nuclear power

Wind Signatures In The X-Ray Emission-Line Profiles Of The Late-O Supergiant Zeta Orionis

X-ray line-profile analysis has proved to be the most direct diagnostic of the kinematics and spatial distribution of the very hot plasma around O stars. The Doppler-broadened line profiles provide information about the velocity distribution of the hot plasma, while the wavelength-dependent attenuation across a line profile provides information about the absorption to the hot plasma, thus providing a strong constraint on its physical location. In this paper, we apply several analysis techniques to the emission lines in the Chandra High Energy Transmission Grating Spectrometer (HETGS) spectrum of the late-O supergiant zeta Ori (O9.7 Ib), including the fitting of a simple line-profile model. We show that there is distinct evidence for blueshifts and profile asymmetry, as well as broadening in the X-ray emission lines of zeta Ori. These are the observational hallmarks of a wind-shock X-ray source, and the results for zeta Ori are very similar to those for the earlier O star, zeta Pup, which we have previously shown to be well fit by the same wind-shock line-profile model. The more subtle effects on the line-profile morphologies in zeta Ori, as compared to zeta Pup, are consistent with the somewhat lower density wind in this later O supergiant. In both stars, the wind optical depths required to explain the mildly asymmetric X-ray line profiles imply reductions in the effective opacity of nearly an order of magnitude, which may be explained by some combination of mass-loss rate reduction and large-scale clumping, with its associated porosity-based effects on radiation transfer. In the context of the recent reanalysis of the helium-like line intensity ratios in both zeta Ori and zeta Pup, and also in light of recent work questioning the published mass-loss rates in OB stars, these new results indicate that the X-ray emission from zeta Ori can be understood within the framework of the standard wind-shock scenario for hot stars

Optimal Pacing for Running 400 m and 800 m Track Races

Physicists seeking to understand complex biological systems often find it rewarding to create simple "toy models" that reproduce system behavior. Here a toy model is used to understand a puzzling phenomenon from the sport of track and field. Races are almost always won, and records set, in 400 m and 800 m running events by people who run the first half of the race faster than the second half, which is not true of shorter races, nor of longer. There is general agreement that performance in the 400 m and 800 m is limited somehow by the amount of anaerobic metabolism that can be tolerated in the working muscles in the legs. A toy model of anaerobic metabolism is presented, from which an optimal pacing strategy is analytically calculated via the Euler-Lagrange equation. This optimal strategy is then modified to account for the fact that the runner starts the race from rest; this modification is shown to result in the best possible outcome by use of an elementary variational technique that supplements what is found in undergraduate textbooks. The toy model reproduces the pacing strategies of elite 400 m and 800 m runners better than existing models do. The toy model also gives some insight into training strategies that improve performance.Comment: 14 pages, 4 figures, submitted to the American Journal of Physic

A unified cluster expansion method applied to the configurational thermodynamics of cubic TiAlN

We study the thermodynamics of cubic Ti1-xAlxN using a unified cluster expansion approach for the alloy problem. The purely configurational part of the alloy Hamiltonian is expanded in terms of concentration and volume dependent effective cluster interactions. By separate expansions of the chemical fixed-lattice, and local lattice relaxation terms of the ordering energies, we demonstrate how the screened generalized perturbation method can be fruitfully combined with a concentration dependent Connolly-Williams cluster expansion method. Utilising the obtained Hamiltonian in Monte Carlo simulations we access the free energy of Ti1-xAlxN alloys and construct the isostructural phase diagram. The results show surprising similarities with the previously obtained mean-field results: The metastable c-TiAlN is subject to coherent spinodal decomposition over a larger part of the concentration range, e.g. from x >= 0.33 at 2000 K.Comment: 21 pages, 7 figure

Electronic structure investigation of the cubic inverse perovskite Sc3AlN

The electronic structure and chemical bonding of the recently discovered inverse perovskite Sc3AlN, in comparison to ScN and Sc metal have been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Sc L, N K, Al L1, and Al L2,3 emission spectra are compared with calculated spectra using first principle density-functional theory including dipole transition matrix elements. The main Sc 3d - N 2p and Sc 3d - Al 3p chemical bond regions are identified at -4 eV and -1.4 eV below the Fermi level, respectively. A strongly modified spectral shape of 3s states in the Al L2,3 emission from Sc3AlN in comparison to pure Al metal is found, which reflects the Sc 3d - Al 3p hybridization observed in the Al L1 emission. The differences between the electronic structure of Sc3AlN, ScN, and Sc metal are discussed in relation to the change of the conductivity and elastic properties.Comment: 11 pages, 5 picture