Describing metal surfaces and nanostructures with orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) can be made to scale linearly with sample size, allowing thousands of atoms to be treated explicitly with quantum mechanics. State-of-the-art kinetic energy density functionals and ion–electron pseudopotentials are used to obtain accurate structural property predictions for nanoparticles, nanowires, extended surfaces, and nanoindentation of simple metals.     

Extracting Electron Densities in N-Type GaAs From Raman Spectra: Theory

In this paper, we present the theory for calculating Raman line shapes as functions of the Fermi energy and finite temperatures in zinc blende, n-type GaAs for donor densities between 10¹⁶ cm⁻³ and 10¹⁹ cm⁻³. Compared to other theories, this theory is unique in two respects: 1) the many-body effects are treated self-consistently and 2) the theory is valid at room temperature for arbitrary values of the ratio R = (Q²/α), where Q is the magnitude of the normalized wave vector and α is the normalized frequency used in the Raman measurements. These calculations solve the charge neutrality equation self-consistently for a two-band model of GaAs at 300 K that includes the effects of high carrier concentrations and dopant densities on the perturbed densities of states used to calculate the Fermi energy as a function of temperature. The results are then applied to obtain the carrier concentrations from Fermi energies in the context of line shapes in Raman spectra due to the coupling between longitudinal optical phonons and plasmons. Raman measurements have been proposed as a non-destructive method for wafer acceptance tests of carrier density in semiconductor epilayers. The interpretation of Raman spectra to determine the majority electron density in n-type semiconductors requires an interdisciplinary effort involving experiments, theory, and computer-based simulations and visualizations of the theoretical calculations.     

Survivability of systems under multiple factor impact

The paper considers vulnerable multi-state series-parallel systems operating under influence of external impacts. Both the external impacts and internal failures affect system survivability, which is determined as the probability of meeting a given demand. The external impacts are characterized by several destructive factors affecting the system or its parts simultaneously.In order to increase the system's survivability a multilevel protection against the destructive factors can be applied to its subsystems. In such systems, the protected subsystems can be destroyed only if all of the levels of their protection are destroyed.The paper presents an algorithm for evaluating the survivability of series-parallel systems with arbitrary configuration of multilevel protection against multiple destructive factor impacts. The algorithm is based on a composition of Boolean and the Universal Generating Function techniques.Illustrative examples are presented.     

Analysis of Resolution of Bistatic SAR

In this paper, the spatial resolutions at different directions of bistatic synthetic aperture radar （BiSAR） have been derived from the ambiguity function. Compared with monostatic signal to noise ratio, BiSAR＇s resolutions of a fixed point target are varying with slow time since BiSAR system is space-variant. Constraints for the assumption of space-invariant bistatic topology are proposed in the paper. Moreover, under the assumption of invariance, the change of resolutions at different point in the image scene is taken into account, and we have specified two key parameters that affect resolutions directly and analyzed the way how they influence on the resolutions.     

Response of captive lowland gorillas (Gorilla gorilla gorilla) to different housing conditions: Testing the aggression-density and coping models.

Several studies have suggested that primates react differently to spatial reduction. In this article, the authors tested some general hypotheses on primate response to spatial reduction by studying the Apenheul lowland gorillas (Gorilla gorilla gorilla; Apeldoorn, the Netherlands). The frequency of conflicts did not greatly change between the 2 housing settings, thus not supporting the density- aggression model. Indoor, gorillas performed touching behavior more often and increased their level of reconciliation. These findings support the coping model. Indoor, the gorillas also maintained broader interindividual distances by increasing the levels of sitting alone, avoidance, and dismissing behaviors. In conclusion, the Apenheul gorillas modified selectively the distribution of some patterns typical of their behavioral repertoire in response to a high-density condition. Both avoidance and coping tactics were used, thus revealing high levels of behavioral flexibility in this species. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Hydriding and Dehydriding Characteristics of Mechanically Alloyed LaMg_(17) Ni Composite Material

Magnesiumandmagnesiumalloyshavebeenin vestigatedashydrogenstoragematerialsforseveralde cadesbecausefarmorehydrogenbyweightcanbestoredinthemthaninmostoftheothercurrentlyknownhydrogenstoragealloys .Moreover ,thehighnaturalabundanceofMg ,itslightmassandenviron mentalcompatibilitypotentiallymakemagnesiumoneofthemostprospectivecandidatesforfuturehydrogenstoragematerials .Unfortunately ,thepracticalappli cationofMganditsalloyshasbeenlimitedonlytocertainstoragedevicebecauseoftheirpoorhydriding dehydr…     

Unconventional Charge Density Wave Arising from Electron–Phonon Interaction

We report of a theoretical study on quasi-one dimensional unconventional charge density wave (UCDW) driven by electron–phonon interaction. Within mean field theory, we find that the wavevector dependence of the coupling leads to a momentum dependent single particle gap on the Fermi surface. The presence of small energy single particle excitations around the gap nodes significantly changes the optical conductivity compared to the conventional CDW result. In addition to that, the collective phase excitation arising from fluctuation of the order parameter leads to further qualitative changes of the conductivity and results in an effective mass that is nonmonotonic in temperature.      

2D Image Construction from Low Resolution Response of a New Non‐invasive Measurement for Medical Application

This paper presents an application of digital signal processing to data acquired by the radio imaging method (RIM) that was adopted to measure moisture distribution inside the human body. RIM was originally developed for the mining industry; we are applying the method to a biomedical measurement because of its simplicity, economy, and safety. When a two‐dimensional image was constructed from the measured data, the method provided insufficient resolution because the wavelength of the measurement medium, a weak electromagnetic wave in a VHF band, was longer than human tissues. We built and measured a phantom, a model simulating the human body, consisting of two water tanks representing large internal organs. A digital equalizer was applied to the measured values as a weight function, and images were reconstructed that corresponded to the original shape of the two water tanks. As a result, a two‐dimensional image containing two individual peaks corresponding to the original two small water tanks was constructed. The result suggests the method was applicable to biomedical measurement by the assistance of digital signal processing. This technique may be applicable to home‐based medical care and other situations in which safety, simplicity, and economy are important.     

Delay discounting of real and hypothetical rewards.

The degree to which real and hypothetical rewards were discounted across delays ranging from 6 hr to 1 year was explored in a within-subjects design. An adjusting-amounts procedure was used to estimate the subjective value of real and hypothetical rewards at each delay. A hyperbolic discounting function provided a significantly better fit to individual participants' preferences than did an exponential function. No significant effect of reward type on degree of hyperbolic discounting or area under the discounting curves was detected. These findings offer some support for the validity of using hypothetical rewards to estimate discounting rates in substance-abusing and other populations, but caution is suggested because this support is gleaned from a failure to detect an effect of reward type. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

低松装密度水雾化铜粉工艺的研究

本文研究了氧化 还原法生产铜粉的新工艺 ,该工艺是通过氧化还原将水雾化铜粉加以表面改性 ,形成海绵状的粉末 ,显著降低水雾化铜粉的松装密度 ,这种铜粉既具有电解铜粉低的松装密度 ,又具有水雾化铜粉高的流动性。讨论了氧化时间、氧化温度对铜粉松装密度的影响。本工艺是一种新型环保、节能、可替代电解法生产铜粉的先进工艺