1,951 research outputs found
Measurements of Volatile Organic Compounds Using Proton Transfer Reaction - Mass Spectrometry during the MILAGRO 2006 Campaign
Volatile organic compounds (VOCs) were measured by proton transfer reaction – mass spectrometry (PTR-MS) on a rooftop in the urban mixed residential and industrial area North Northeast of downtown Mexico City as part of the Megacity Initiative – Local and Global Research Observations (MILAGRO) 2006 field campaign. Thirty eight individual masses were monitored during the campaign and many species were quantified including methanol, acetaldehyde, toluene, the sum of C2 benzenes, the sum of C3 benzenes, acetone, isoprene, benzene, and ethyl acetate. The VOC measurements were analyzed to gain a better understanding of the type of VOCs present in the MCMA, their diurnal patterns, and their origins. Diurnal profiles of weekday and weekend/holiday aromatic VOC concentrations showed the influence of vehicular traffic during the morning rush hours and during the afternoon hours. Plumes including elevated toluene as high as 216 parts per billion (ppb) and ethyl acetate as high as 183 ppb were frequently observed during the late night and early morning hours, indicating the possibility of significant industrial sources of the two compounds in the region. Wind fields during those peak episodes revealed no specific direction for the majority of the toluene plumes but the ethyl acetate plumes arrived at the site when winds were from the Southwest or West. The PTR-MS measurements combined with other VOC measuring techniques at the field site as well as VOC measurements conducted in other areas of the Mexico City Metropolitan Area (MCMA) will help to develop a better understanding of the spatial pattern of VOCs and its variability in the MCMA.
Atmos. Chem. Phys., 9, 467–481, 2009.Robert A. Welch Foundation (Grant A-1417)Texas A & M University. Center for Atmospheric Chemistry and EnvironmentNational Science Foundation (U.S.) (ATM-0528227
Direct simulation of ion beam induced stressing and amorphization of silicon
Using molecular dynamics (MD) simulation, we investigate the mechanical
response of silicon to high dose ion-irradiation. We employ a realistic and
efficient model to directly simulate ion beam induced amorphization. Structural
properties of the amorphized sample are compared with experimental data and
results of other simulation studies. We find the behavior of the irradiated
material is related to the rate at which it can relax. Depending upon the
ability to deform, we observe either the generation of a high compressive
stress and subsequent expansion of the material, or generation of tensile
stress and densification. We note that statistical material properties, such as
radial distribution functions are not sufficient to differentiate between
different densities of amorphous samples. For any reasonable deformation rate,
we observe an expansion of the target upon amorphization in agreement with
experimental observations. This is in contrast to simulations of quenching
which usually result in denser structures relative to crystalline Si. We
conclude that although there is substantial agreement between experimental
measurements and most simulation results, the amorphous structures being
investigated may have fundamental differences; the difference in density can be
attributed to local defects within the amorphous network. Finally we show that
annealing simulations of our amorphized samples can lead to a reduction of high
energy local defects without a large scale rearrangement of the amorphous
network. This supports the proposal that defects in amorphous silicon are
analogous to those in crystalline silicon.Comment: 13 pages, 12 figure
Measurements of HNO 3 and N 2 O 5 using ion drift-chemical ionization mass spectrometry during the MILAGRO/MCMA-2006 campaign
The Structure, Dynamics and Electronic Structure of Liquid Ag-Se Alloys Investigated by Ab Initio Simulation
Ab initio molecular-dynamics simulations have been used to investigate the
structure, dynamics and electronic properties of the liquid alloy Ag(1-x)Se(x)
at 1350 K and at the three compositions x=0.33, 0.42 and 0.65. The calculations
are based on density-functional theory in the local density approximation and
on the pseudopotential plane-wave method. The reliability of the simulations is
confirmed by detailed comparisons with very recent neutron diffraction results
for the partial structure factors and radial distribution functions (RDF) of
the stoichiometric liquid Ag2Se. The simulations show a dramatic change of the
Se-Se RDF with increasing Se content. This change is due to the formation of Se
clusters bound by covalent bonds, the Se-Se bond length being almost the same
as in pure c-Se and l-Se. The clusters are predominantly chain-like, but for
higher x a large fraction of 3-fold coordinated Se atoms is also found. It is
shown that the equilibrium fractions of Se present as isolated atoms and in
clusters can be understood on a simple charge-balance model based on an ionic
interpretation. The Ag and Se diffusion coefficients both increase with Se
content, in spite of the Se clustering. An analysis of the Se-Se bond dynamics
reveals surprisingly short bond lifetimes of less than 1 ps. The changes in the
density of states with composition arise directly from the formation of Se-Se
covalent bonds. Results for the electronic conductivity obtained using the
Kubo-Greenwood approximation are in adequate agreement with experiment for
l-Ag2Se, but not for the high Se contents. Possible reasons for this are
discussed.Comment: 14 pages, Revtex, 14 Postscript figures embedded in the tex
Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications
Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state ([bar over OS][subscript C]) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ion intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H[subscript 2]O[superscript +] and CO[superscript +] ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H[subscript 2]O[superscript +], CO[superscript +], and CO[subscript 2][superscript +] fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO[superscript +] and especially H[subscript 2]O[superscript +] produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The [bar over OS][subscript C] values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 [bar over OS][subscript C] units). This indicates that [bar over OS][subscript C] is a more robust metric of oxidation than O : C, likely since [bar over OS][subscript C] is not affected by hydration or dehydration, either in the atmosphere or during analysis.National Science Foundation (U.S.) (CHE-1012809)National Science Foundation (U.S.) (ATM-1238109
Scintillation Counters for the D0 Muon Upgrade
We present the results of an upgrade to the D0 muon system. Scintillating
counters have been added to the existing central D0 muon system to provide
rejection for cosmic ray muons and out-of-time background, and to provide
additional fast timing information for muons in an upgraded Tevatron.
Performance and results from the 1994-1996 Tevatron run are presented.Comment: 30 pages, 25 postscript figure
Evaluation of the RADCHEM Diagnostic as an Assessment of Fuel-Ablator Mix and Fuel Rho R
The RADCHEM diagnostic consists of the collection of both gaseous and solid debris samples following a NIF shot. Small amounts of detector elements are doped into the inner-most layer of the ablator shell, which then undergo nuclear activations with neutrons and/or charged particles that are produced during the fusion process. Reaction products are collected and their radioactive decays are counted in order to determine the number and type of activations that occurred. Simulations have shown that these data can then be correlated to several capsule parameters, including fuel rhoR ({rho}R), implosion asymmetry, and fuel-ablator mix. In this document we present a brief summary of the simulations that have been performed, and evalute the ability of RADCHEM to assess capsule performance. A longer, follow-on document, which will include more details on the specific simulations and experimental techniques that have been considered for RADCHEM, is currently being written
Assessment of the EarlyCDT-Lung test as an early biomarker of lung cancer in ever-smokers - A retrospective nested case-control study in two prospective cohorts
The EarlyCDT-Lung test is a blood-based autoantibody assay intended to identify high-risk individuals for low-dose computed tomography lung cancer screening. However, there is a paucity of evidence on the performance of the EarlyCDT-Lung test in ever-smokers. We conducted a nested case-control study within two prospective cohorts to evaluate the risk-discriminatory performance of the EarlyCDT-Lung test using pre-diagnostic blood samples from 154 future lung cancer cases and 154 matched controls. Cases were selected from those who had ever smoked and had a pre-diagnostic blood samples less than 3 years prior to diagnosis. Conditional logistic regression was used to estimate the association between EarlyCDT-Lung test results and lung cancer risk. Sensitivity and specificity of the EarlyCDT-Lung test were calculated in all subjects and subgroups based on age, smoking history, lung cancer stage, sample collection time before diagnosis and year of sample collection. The overall lung cancer odds ratios were 0.89 (95% CI, 0.34-2.30) for a moderate risk EarlyCDT-Lung test result and 1.09 (95% CI, 0.48-2.47) for a high-risk test result compared to no significant test result. The overall sensitivity was 8.4% (95% CI, 4.6-14) and overall specificity was 92% (95% CI, 87-96) when considering a high-risk result as positive. Stratified analysis indicated higher sensitivity (17%, 95% CI, 7.2-32.1) in subjects with blood drawn up to 1 year prior to diagnosis. In conclusion, our study does not support a role of the EarlyCDT-Lung test in identifying the high-risk subjects in ever-smokers for lung cancer screening in the EPIC and NSHDS cohorts
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