Density Functional Theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes

To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular gases on metallic lithium surfaces. By combining DFT geometry optimization and Molecular Dynamics, the effects of atmospheric (N2, O2, CO2) and hazardous (F2, SO2) gas decomposition on Li(bcc) (100), (110), and (111) surfaces on relative surface energies, work functions, and emerging electronic and elastic properties are investigated. The simulations suggest that exposure to different molecular gases can be used to induce and control reconstructions of the metal Li surface and substantial changes (up to over 1 eV) in the work function of the passivated system. Contrary to the other considered gases, which form metallic adlayers, SO2 treatment emerges as the most effective in creating an insulating passivation layer for dosages <= 1 mono-layer. The substantial Li->adsorbate charge transfer and adlayer relaxation produce marked elastic stiffening of the interface, with the smallest change shown by nitrogen-treated adlayers

REGIONAL ECONOMIC GROWTH AND INCOME DISTRIBUTION: COUNTY-LEVEL EVIDENCE FROM THE U.S. SOUTH

Changes in income distribution are estimated for the U.S. South over the 1970 and 1980 decades using Gini coefficients for county-level, real family income. To explicitly investigate causal relationships between economic growth and inequality, a two-stage least squares model was estimated. In the 1970s, more rapid increases in inequality were associated with a reduced income growth rate, ceteris paribus, while in the 1980s, the opposite was true. Faster rates of income growth were associated with more rapid increases in inequality during the 1980s, but rates of income growth had no effect on changes in inequality during the 1970s.Causality, Economic growth, Inequality, U.S. South, Community/Rural/Urban Development,

Localization of cold atoms in state-dependent optical lattices via a Rabi pulse

We propose a novel realization of Anderson localization in non-equilibrium states of ultracold atoms trapped in state-dependent optical lattices. The disorder potential leading to localization is generated with a Rabi pulse transfering a fraction of the atoms into a different internal state for which tunneling between lattice sites is suppressed. Atoms with zero tunneling create a quantum superposition of different random potentials, localizing the mobile atoms. We investigate the dynamics of the mobile atoms after the Rabi pulse for non-interacting and weakly interacting bosons, and we show that the evolved wavefunction attains a quasi-stationary profile with exponentially decaying tails, characteristic of Anderson localization. The localization length is seen to increase with increasing disorder and interaction strength, oppositely to what is expected for equilibrium localization.Comment: 4 pages, 4 figure

Adaptive Design of Excitonic Absorption in Broken-Symmetry Quantum Wells

Adaptive quantum design is used to identify broken-symmetry quantum well potential profiles with optical response properties superior to previous ad-hoc solutions. This technique performs an unbiased stochastic search of configuration space. It allows us to engineer many-body excitonic wave functions and thus provides a new methodology to efficiently develop optimized quantum confined Stark effect device structures.Comment: 4 pages, 3 encapsulated postscript figure

Inelastic electron backscattering in a generic helical edge channel

We evaluate the low-temperature conductance of a weakly interacting one-dimensional helical liquid without axial spin symmetry. The lack of that symmetry allows for inelastic backscattering of a single electron, accompanied by forward-scattering of another. This joint effect of weak interactions and potential scattering off impurities results in a temperature-dependent deviation from the quantized conductance, $\delta G \propto T^4$. In addition, $\delta G$ is sensitive to the position of the Fermi level. We determine numerically the parameters entering our generic model for the Bernevig-Hughes-Zhang Hamiltonian of a HgTe/CdTe quantum well in the presence of Rashba spin-orbit coupling.Comment: 4+ pages, 3 figures, published versio

Influence of coating on the thermal resistance of a Ni-Based superalloy

In this paper, the influence of M-CrAlY polycrystalline coating on the thermal fatigue behavior of a Nickel-base superalloy has been investigated. A special device using a rotating bending machine and two thermal sources has been used to perform thermo-mechanical tests. The two thermal sources have been set to obtain temperature variations between 750 and 1120 °C in the central part of the specimens, with a frequency of 0.1 Hz. The results showed a deleterious effect of the coating on the fatigue resistance. Numerical simulations have been carried out on SAMCEF to determine the thermo-mechanical field of the so-tested specimens. Calculated thermo-mechanical cycles of critical sites are associated with microstructure evolution and damage by cracking observed on the specimens. Damage mechanisms related to the presence of coating are discussed

So near and yet so far: Harmonic radar reveals reduced homing ability of nosema infected honeybees

Pathogens may gain a fitness advantage through manipulation of the behaviour of their hosts. Likewise, host behavioural changes can be a defence mechanism, counteracting the impact of pathogens on host fitness. We apply harmonic radar technology to characterize the impact of an emerging pathogen - Nosema ceranae (Microsporidia) - on honeybee (Apis mellifera) flight and orientation performance in the field. Honeybees are the most important commercial pollinators. Emerging diseases have been proposed to play a prominent role in colony decline, partly through sub-lethal behavioural manipulation of their hosts. We found that homing success was significantly reduced in diseased (65.8%) versus healthy foragers (92.5%). Although lost bees had significantly reduced continuous flight times and prolonged resting times, other flight characteristics and navigational abilities showed no significant difference between infected and non-infected bees. Our results suggest that infected bees express normal flight characteristics but are constrained in their homing ability, potentially compromising the colony by reducing its resource inputs, but also counteracting the intra-colony spread of infection. We provide the first high-resolution analysis of sub-lethal effects of an emerging disease on insect flight behaviour. The potential causes and the implications for both host and parasite are discussed

So near and yet so far: Harmonic radar reveals reduced homing ability of nosema infected honeybees

Pathogens may gain a fitness advantage through manipulation of the behaviour of their hosts. Likewise, host behavioural changes can be a defence mechanism, counteracting the impact of pathogens on host fitness. We apply harmonic radar technology to characterize the impact of an emerging pathogen - Nosema ceranae (Microsporidia) - on honeybee (Apis mellifera) flight and orientation performance in the field. Honeybees are the most important commercial pollinators. Emerging diseases have been proposed to play a prominent role in colony decline, partly through sub-lethal behavioural manipulation of their hosts. We found that homing success was significantly reduced in diseased (65.8%) versus healthy foragers (92.5%). Although lost bees had significantly reduced continuous flight times and prolonged resting times, other flight characteristics and navigational abilities showed no significant difference between infected and non-infected bees. Our results suggest that infected bees express normal flight characteristics but are constrained in their homing ability, potentially compromising the colony by reducing its resource inputs, but also counteracting the intra-colony spread of infection. We provide the first high-resolution analysis of sub-lethal effects of an emerging disease on insect flight behaviour. The potential causes and the implications for both host and parasite are discussed

Using the J1-J2 Quantum Spin Chain as an Adiabatic Quantum Data Bus

This paper investigates numerically a phenomenon which can be used to transport a single q-bit down a J1-J2 Heisenberg spin chain using a quantum adiabatic process. The motivation for investigating such processes comes from the idea that this method of transport could potentially be used as a means of sending data to various parts of a quantum computer made of artificial spins, and that this method could take advantage of the easily prepared ground state at the so called Majumdar-Ghosh point. We examine several annealing protocols for this process and find similar result for all of them. The annealing process works well up to a critical frustration threshold.Comment: 14 pages, 13 figures (2 added), revisions made to add citations and additional discussion at request of referee