Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin filtering and negative differential resistance effects may or may not arise by modifying suitably the edge shapes and the terminating groups of simple organic molecules. We show that the spin filtering effect is a consequence of the magnetic behavior of zigzag-terminated edges, which is enhanced by furnishing these with a wedge shape. The negative differential resistance effect is originated by the presence of two degenerate electronic states localized at each of the atoms coupling the molecule to graphene which are strongly affected by a bias voltage. The effect could thus be tailored by a suitable choice of the molecule and contact atoms if edge shape could be controlled with atomic precision.Comment: 11 pages, 20 figure

Observation of neutral sulfuric acid-amine containing clusters in laboratory and ambient measurements

Recent ab initio calculations showed that amines can enhance atmospheric sulfuric acid-water nucleation more effectively than ammonia, and this prediction has been substantiated in laboratory measurements. Laboratory studies have also shown that amines can effectively displace ammonia in several types of ammonium clusters. However, the roles of amines in cluster formation and growth at a microscopic molecular scale (from molecular sizes up to 2 nm) have not yet been well understood. Processes that must be understood include the incorporation of amines into sulfuric acid clusters and the formation of organic salts in freshly nucleated particles, which contributes significantly to particle growth rates. We report the first laboratory and ambient measurements of neutral sulfuric acid-amine clusters using the Cluster CIMS, a recently-developed mass spectrometer designed for measuring neutral clusters formed in the atmosphere during nucleation. An experimental technique, which we refer to as Semi-Ambient Signal Amplification (SASA), was employed. Sulfuric acid was added to ambient air, and the concentrations and composition of clusters in this mixture were analyzed by the Cluster CIMS. This experimental approach led to significantly higher cluster concentrations than are normally found in ambient air, thereby increasing signal-to-noise levels and allowing us to study reactions between gas phase species in ambient air and sulfuric acid containing clusters. Mass peaks corresponding to clusters containing four H<sub>2</sub>SO<sub>4</sub> molecules and one amine molecule were clearly observed, with the most abundant sulfuric acid-amine clusters being those containing a C2- or C4-amine (i.e. amines with masses of 45 and 73 amu). Evidence for C3- and C5-amines (i.e. amines with masses of 59 and 87 amu) was also found, but their correlation with sulfuric acid tetramer was not as strong as was observed for the C2- and C4-amines. The formation mechanisms for those sulfuric acid-amine clusters were investigated by varying the residence time in the inlet. It was concluded that the amines react directly with neutral clusters and that ion-induced clustering of sulfuric acid cluster ions with amines was not a dominant process. Results from ambient measurements using the Cluster CIMS without addition of sulfuric acid have shown that the sulfuric acid-amine clusters were reasonably well correlated with sulfuric acid tetramer and consistent with the SASA experiments at the same Boulder sampling site. Also, clusters that contain C2- or C4-amines were more abundant and better correlated with sulfuric acid tetramer than other types of amine containing clusters. However, ambient measurements of sulfuric acid-amine clusters remain difficult and highly uncertain because their concentrations are only slightly above background levels, even during nucleation events

Baryon stopping and strange baryon/antibaryon production at SPS energies

The amount of proton stopping in central Pb+Pb collisions from 20-160 AGeV as well as hyperon and antihyperon rapidity distributions are calculated within the UrQMD model in comparison to experimental data at 40, 80 and 160 AGeV taken recently from the NA49 collaboration. Furthermore, the amount of baryon stopping at 160 AGeV for Pb+Pb collisions is studied as a function of centrality in comparison to the NA49 data. We find that the strange baryon yield is reasonably described for central collisions, however, the rapidity distributions are somewhat more narrow than the data. Moreover, the experimental antihyperon rapidity distributions at 40, 80 and 160 AGeV are underestimated by up to factors of 3 - depending on the annihilation cross section employed - which might be addressed to missing multi-meson fusion channels in the UrQMD model.Comment: 18 pages, including 7 eps figures, to be published in Phys. Rev.

2.45 GHz Passive Wireless Temperature Monitoring System Featuring Parallel Sensor Interrogation and Resolution Evaluation

IEEE SENSORS 2006, EXCO, Daegu, Korea / October 22-25, 200

Optimization of Comminution Circuit Throughput and Product Size Distribution by Simulation and Control

The goal of this project is to improve energy efficiency of industrial crushing and grinding operations (comminution). Mathematical models of the comminution process are being used to study methods for optimizing the product size distribution, so that the amount of excessively fine material produced can be minimized. This will save energy by reducing the amount of material that is ground below the target size, and will also reduce the quantity of materials wasted as slimes that are too fine to be useful. This will be accomplished by: (1) modeling alternative circuit arrangements to determine methods for minimizing overgrinding, and (2) determining whether new technologies, such as high-pressure roll crushing, can be used to alter particle breakage behavior to minimize fines production. In the sixth quarter of this project, work was centered on analyzing the considerable plant data gathered during the first year of the project. Modeling is being carried out of the hydrocyclone portion of the grinding circuit, since this has been identified as the primary source of overgrinding and inefficiency

An overview of ISCAT 2000

The Investigation of Sulfur Chemistry in the Antarctic Troposphere (ISCAT) took place over the timer period of 15 November to 31 December in the year 2000. The study location was the Amundsen Scott Station in Antarctica. ISCAT 2000 defines the second phase of a program designed to explore tropospheric chemistry in Antarctica. As in 1998, the 2000 ISCAT study revealed a strong oxidizing environment at South Pole (SP). During the 2000 investigation, however, the suite of measurements was greatly expanded. These new measurements established the recycling of reactive nitrogen as a critical component of this unique environment. This paper first presents the historical background leading up to the ISCAT 2000 observations; then it focuses on providing a summary of the year 2000 results and contrasts these with those recorded during 1998. Important developments made during the 2000 study included the recording of SP data for several species being emitted from the snowpack. These included NO, H 2O2 and CH2O. In this context, eddy-diffusion flux measurements provided the first quantitative estimates of the SP NO and NOx snow-to-atmosphere fluxes. This study also revealed that HNO 3 and HO2NO2 were major sink species for HOx and NOx radicals. And, it identified the critical factors responsible for SP NO levels exceeding those at other polar sites by nearly an order of magnitude. Finally, it reports on the levels of gas phase sulfur species and provides evidence indicating that the absence of DMS at SP is most likely due to its greatly shorten chemical lifetime in the near vicinity of the plateau. It is proposed that this is due to the influence of NO on the distribution of OH in the lower free troposphere over a region that extends well beyond the plateau itself. Details related to each of the above findings plus others can be found in the 11 accompanying Special Issue papers. © 2004 Elsevier Ltd. All rights reserved

The spin-orbit interaction as a source of new spectral and transport properties in quasi-one-dimensional systems

We present an exact theoretical study of the effect of the spin-orbit (SO) interaction on the band structure and low temperature transport in long quasi-one-dimensional electron systems patterned in two-dimensional electron gases in zero and weak magnetic fields. We reveal the manifestations of the SO interaction which cannot in principle be observed in higher dimensional systems.Comment: 5 pages including 5 figures; RevTeX; to appear in Phys.Rev.B (Rapid Communications

Towards the integration of functions, relations and types in an AI programming language

This paper describes the design and implementation of the programming language PC-Life. This language integrates the functional and the Logic-oriented programming style and feature types supporting inheritance. This combination yields a language particularly suited to knowledge representation, especially for application in computational linguistics