Continuum states from time-dependent density functional theory

Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived in one dimension. A single-pole approximation for scattering phase shifts in three dimensions is shown to be more accurate than static exchange for singlet electron-He$^+$ scattering.Comment: 5 pages, 2 figures, J. Chem. Phys. accepte

Average and worst-case specifications of precipitating auroral electron environment

The precipitation electrons in the auroral environment are highly variable in their energy and intensity in both space and time. As such they are a source of potential hazard to the operation of the Space Shuttle and other large spacecraft operating in polar orbit. In order to assess these hazards both the average and extreme states of the precipitating electrons must be determined. Work aimed at such a specification is presented. First results of a global study of the average characteristics are presented. In this study the high latitude region was divided into spatial elements in magnetic local time and corrected geomagnetic latitude. The average electron spectrum was then determined in each spatial element for seven different levels of activity as measured by K sub p using an extremely large data set of auroral observations. Second a case study of an extreme auroral electron environment is presented, in which the electrons are accelerated through field aligned potential as high as 30,000 volts and in which the spacecraft is seen to charge negatively to a potential approaching .5 kilovolts

Evaluation of the Structural Integrity of Granular Composites by Ultrasonic Techniques

The development of the mechanical strength of composite materials which are consolidated by cementaceous bonds has been monitored by observation of the ultrasonic properties over the evolution of bond growth. The granular nature and weak bonding of these materials produce high attenuation of the ultrasonic signal and observation is difficult, particularly in larger structures. In order to obtain ultrasonic parameters with high resolution and to overcome the effects of grain scattering, a system based on a minicomputer and array processor has been implemented which provides time and frequency-domain processing and aperture synthesis. This ultrasonic data provides a reliable measure of the structural integrity of these materials

Ions in solution: Density Corrected Density Functional Theory (DC-DFT)

Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes of density functional theory calculations are significantly improved by using densities more accurate than the self-consistent densities. We discuss how to identify such cases, and how DC-DFT applies more generally. To illustrate, we calculate potential energy surfaces of HO$\cdot$Cl$^-$ and HO$\cdot$H$_2$O complexes using various common approximate functionals, with and without this density correction. Commonly used approximations yield wrongly shaped surfaces and/or incorrect minima when calculated self consistently, while yielding almost identical shapes and minima when density corrected. This improvement is retained even in the presence of implicit solvent

Automotive technology status and projections. Volume 2: Assessment report

Current and advanced conventional engines, advanced alternative engines, advanced power train components, and other energy conserving automobile modifications which could be implemented by the end of this century are examined. Topics covered include gas turbine engines, Stirling engines, advanced automatic transmissions, alternative fuels, and metal and ceramic technology. Critical problems are examined and areas for future research are indicated

Design, fabrication, and delivery of a charge injection device as a stellar tracking device

Six 128 x 128 CID imagers fabricated on bulk silicon and with thin polysilicon upper-level electrodes were tested in a star tracking mode. Noise and spectral response were measured as a function of temperature over the range of +25 C to -40 C. Noise at 0 C and below was less than 40 rms carriers/pixel for all devices at an effective noise bandwidth of 150 Hz. Quantum yield for all devices averaged 40% from 0.4 to 1.0 microns with no measurable temperature dependence. Extrapolating from these performance parameters to those of a large (400 x 400) array and accounting for design and processing improvements, indicates that the larger array would show a further improvement in noise performance -- on the order of 25 carriers. A preliminary evaluation of the projected performance of the 400 x 400 array and a representative set of star sensor requirements indicates that the CID has excellent potential as a stellar tracking device

Automotive technology status and projections. Volume 1: Executive summary

Fuel economy, exhaust emissions, multifuel capability, advanced materials and cost/manufacturability for both conventional and advanced alternative power systems were assessed. To insure valid comparisons of vehicles with alternative power systems, the concept of an Otto-Engine-Equivalent (OEE) vehicle was utilized. Each engine type was sized to provide equivalent vehicle performance. Sensitivity to different performance criteria was evaluated. Fuel economy projections are made for each engine type considering both the legislated emission standards and possible future emissions requirements