Joint density-functional theory for electronic structure of solvated systems

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. A simple approximate functional predicts, without any fitting of parameters to solvation data, solvation energies as well as state-of-the-art quantum-chemical cavity approaches, which require such fitting.Comment: Fixed typos and minor updates to tex

ACT/ICAPS: Thermoplastic composite activities

McDonnell Aircraft Company (MCAIR) is teamed with Douglas Aircraft Company (DAC) under NASA's Advanced Composite Technology (ACT) initiative in a program entitled Innovative Composite Aircraft Primary Structures (ICAPS). Efforts at MCAIR have focused on the use of thermoplastic composite materials in the development of structural details associated with an advanced fighter fuselage section with applicability to transport design. Based on innovative design/manufacturing concepts for the fuselage section primary structure, elements were designed, fabricated, and structurally tested. These elements focused on key issues such as thick composite lugs and low cost forming of fastenerless, stiffener/moldline concepts. Manufacturing techniques included autoclave consideration, single diaphragm co-consolidation (SDCC), and roll-forming

A micro electromagnetic generator for vibration energy harvesting

Vibration energy harvesting is receiving a considerable amount of interest as a means for powering wireless sensor nodes. This paper presents a small (component volume 0.1 cm3, practical volume 0.15 cm3) electromagnetic generator utilizing discrete components and optimized for a low ambient vibration level based upon real application data. The generator uses four magnets arranged on an etched cantilever with a wound coil located within the moving magnetic field. Magnet size and coil properties were optimized, with the final device producing 46 µW in a resistive load of 4 k? from just 0.59 m s-2 acceleration levels at its resonant frequency of 52 Hz. A voltage of 428 mVrms was obtained from the generator with a 2300 turn coil which has proved sufficient for subsequent rectification and voltage step-up circuitry. The generator delivers 30% of the power supplied from the environment to useful electrical power in the load. This generator compares very favourably with other demonstrated examples in the literature, both in terms of normalized power density and efficiency

First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism

We present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed with ab-initio calculated momentum-dependent electron-phonon interaction and anharmonic phonon frequencies, yields an average electron-phonon coupling constant lambda = 0.61, a transition temperature Tc = 39 K, and a boron isotope-effect exponent alphaB = 0.31 with a reasonable assumption of mu* = 0.12. The calculated values for Tc, lambda, and alphaB are in excellent agreement with transport, specific heat, and isotope effect measurements respectively. The individual values of the electron-phonon coupling lambda(k,k') on the various pieces of the Fermi surface however vary from 0.1 to 2.5. The observed Tc is a result of both the raising effect of anisotropy in the electron-phonon couplings and the lowering effect of anharmonicity in the relevant phonon modes.Comment: 4 pages, 3 figures, 1 tabl

Strong damping of phononic heat current by magnetic excitations in SrCu_2(BO_3)_2

Measurements of the thermal conductivity as a function of temperature and magnetic field in the 2D dimer spin system SrCu$_2$(BO$_3$)$_2$ are presented. In zero magnetic field the thermal conductivity along and perpendicular to the magnetic planes shows a pronounced double-peak structure as a function of temperature. The low-temperature maximum is drastically suppressed with increasing magnetic field. Our quantitative analysis reveals that the heat current is due to phonons and that the double-peak structure arises from pronounced resonant scattering of phonons by magnetic excitations.Comment: a bit more than 4 pages, 2 figures included; minor changes to improve the clarity of the presentatio

Episodic Occurrence of Favourable Weather Constrains Recovery of a Cold Desert Shrubland After Fire

Key to the long-term resilience of dryland ecosystems is the recovery of foundation plant species following disturbance. In ecosystems with high interannual weather variability, understanding the influence of short-term environmental conditions on establishment of foundation species is essential for identifying vulnerable landscapes and developing restoration strategies. We asked how annual environmental conditions affect post-fire establishment of Artemisia tridentata, a shrub species that dominates landscapes across much of the western United States, and evaluated the influence of episodic establishment on population recovery. We collected A. tridentata stem samples from 33 plots in 12 prescribed fire sites that burned 8–11 years before sampling. We determined individual establishment years using annual growth rings. We measured seasonal soil environmental conditions at the study sites and asked if these conditions predicted annual establishment density. We then evaluated whether establishment patterns could be predicted by site-level climate or dominant subspecies. Finally, we tested the effect of the magnitude and frequency of post-fire establishment episodes on long-term population recovery. Annual post-fire recruitment of A. tridentata was driven by the episodic availability of spring soil moisture. Annual establishment was highest with wetter spring soils (relative influence [RI] = 19.4%) and later seasonal dry-down (RI = 11.8%) in the year of establishment. Establishment density declined greatly 4 to 5 years after fire (RI = 17.1%). Post-fire establishment patterns were poorly predicted by site-level mean climate (marginal R2 ≤ 0.18) and dominant subspecies (marginal R2 ≤ 0.43). Population recovery reflected the magnitude, but not the frequency, of early post-fire establishment pulses. Post-fire A. tridentata density and cover (measured 8–11 years after fire) were more strongly related to the magnitude of the largest establishment pulse than to establishment frequency, suggesting that population recovery may occur with a single favourable establishment year. Synthesis and applications. This study demonstrates the importance of episodic periods of favourable weather for long-term plant population recovery following disturbance. Management strategies that increase opportunities for seed availability to coincide with favourable weather conditions, such as retaining unburned patches or repeated seeding treatments, can improve restoration outcomes in high-priority areas

Approximation algorithms and hardness results for the joint replenishment Problepm with constant demands

19th Annual European Symposium, Saarbrücken, Germany, September 5-9, 2011. ProceedingsIn the Joint Replenishment Problem (JRP), the goal is to coordinate the replenishments of a collection of goods over time so that continuous demands are satisfied with minimum overall ordering and holding costs. We consider the case when demand rates are constant. Our main contribution is the first hardness result for any variant of JRP with constant demands. When replenishments per commodity are required to be periodic and the time horizon is infinite (which corresponds to the so-called general integer model with correction factor), we show that finding an optimal replenishment policy is at least as hard as integer factorization. This result provides the first theoretical evidence that the JRP with constant demands may have no polynomial-time algorithm and that relaxations and heuristics are called for. We then show that a simple modification of an algorithm by Wildeman et al. (1997) for the JRP gives a fully polynomial-time approximation scheme for the general integer model (without correction factor). We also extend their algorithm to the finite horizon case, achieving an approximation guarantee asymptotically equal to √9/8

Ocean temperature and salinity components of the Madden-Julian oscillation observed by Argo floats

New diagnostics of the Madden-Julian Oscillation (MJO) cycle in ocean temperature and, for the first time, salinity are presented. The MJO composites are based on 4 years of gridded Argo float data from 2003 to 2006, and extend from the surface to 1,400 m depth in the tropical Indian and Pacific Oceans. The MJO surface salinity anomalies are consistent with precipitation minus evaporation fluxes in the Indian Ocean, and with anomalous zonal advection in the Pacific. The Argo sea surface temperature and thermocline depth anomalies are consistent with previous studies using other data sets. The near-surface density changes due to salinity are comparable to, and partially offset, those due to temperature, emphasising the importance of including salinity as well as temperature changes in mixed-layer modelling of tropical intraseasonal processes. The MJO-forced equatorial Kelvin wave that propagates along the thermocline in the Pacific extends down into the deep ocean, to at least 1,400 m. Coherent, statistically significant, MJO temperature and salinity anomalies are also present in the deep Indian Ocean

Electromechanical analysis of an adaptive piezoelectric energy harvester controlled by two segmented electrodes with shunt circuit networks

This paper presents an adaptive power harvester using a shunted piezoelectric control system with segmented electrodes. This technique has spurred new capability for widening the three simultaneous resonance frequency peaks using only a single piezoelectric laminated beam where normally previous works only provide a single peak for the resonance at the first mode. The benefit of the proposed techniques is that it provides effective and robust broadband power generation for application in self-powered wireless sensor devices. The smart structure beam with proof mass offset is considered to have simultaneous combination between vibration-based power harvesting and shunt circuit control-based electrode segments. As a result, the system spurs new development of the two mathematical methods using electromechanical closed-boundary value techniques and Ritz method-based weak-form analytical approach. The two methods have been used for comparison giving accurate results. For different electrode lengths using certain parametric tuning and harvesting circuit systems, the technique enables the prediction of the power harvesting that can be further proved to identify the performance of the system using the effect of varying circuit parameters so as to visualize the frequency and time waveform responses