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At least 1,621 records · Page 90

Simulation of a rapid compression machine for evaluation of ignition chemistry and soot formation using gasoline/ethanol blends

Due to the projected decline of demand for gasoline in light duty engines and the advent of ethanol as a green fuel, the use of gasoline/ethanol blend fuels in heavy duty applications are being investigated as they are projected to have lower cost and lower lifecycle green house gas (GHG) emissions. In heavy duty engines, the primary mode of combustion is mixing controlled combustion where wide range of mixture conditions (equivalence ratio) exist. Soot emissions of these fuels in richer conditions are not well understood. The goal of this research is to evaluate some commercially available soot modeling codes for the particulate matter emissions from gasoline/ethanol fuel blends, especially at fuel rich conditions. A Rapid Compression Machine (RCM) is modeled in a three-dimensional numerical simulation using CONVERGE computational software using a reduced chemical kinetic mechanism with SAGE chemistry solver and a RANS k-ϵturbulence model with a sector model including the creviced piston. The creviced piston is used in the experimental setup to reduce boundary layer effects and to maintain a homogeneous core in the reaction cylinder. Computational fluid dynamics simulations are conducted for different gasoline-ethanol fuel blends from E10 (10% ethanol v/v) to E100. The fuel blend is modeled as a surrogate mixture of toluene, iso-octane, n-heptane for gasoline content, and ethanol. The computational results were validated against experimental results using pressure measurements and laser extinction diagnostics. Different soot models are investigated to evaluate their capability of predicting the sooting tendencies of fuel blends, especially in richer conditions experienced during mixing-controlled combustion. The experimental combustion characteristics such as the ignition delay of different blends of fuel are reasonably well predicted. The Particulate Size Mimic (PSM) model accurately predicts the soot generation characteristics of the different fuels, but the Hiroyasu-NSC model falls short in this regard. For accurate prediction of soot with the PSM model, the thermodynamic conditions during combustion must be accurately modeled. While the current computational modeling tools can produce accurate results for the prediction of particulate matter emissions, there is much work to be done in improving our understanding of the underlying fundamental processes.

Energy & Fuels↗

3D Radiative Transfer in Eta Carinae: Application of the SimpleX Algorithm to 3D SPH Simulations of Binary Colliding Winds

Eta Carinae is an ideal astrophysical laboratory for studying massive binary interactions and evolution, and stellar wind-wind collisions. Recent three-dimensional (3D) simulations set the stage for understanding the highly complex 3D flows in eta Car. Observations of different broad high- and low-ionization forbidden emission lines provide an excellent tool to constrain the orientation of the system, the primary's mass-loss rate, and the ionizing flux of the hot secondary. In this work we present the first steps towards generating synthetic observations to compare with available and future HST/STIS data. We present initial results from full 3D radiative transfer simulations of the interacting winds in eta Car.We use the SimpleX algorithm to post-process the output from 3D SPH simulations and obtain the ionization fractions of hydrogen and helium assuming three different mass-loss rates for the primary star. The resultant ionization maps of both species constrain the regions where the observed forbidden emission lines can form. Including collisional ionization is necessary to achieve a better description of the ionization states, especially in the areas shielded from the secondary's radiation. We find that reducing the primary's mass-loss rate increases the volume of ionized gas, creating larger areas where the forbidden emission lines can form.We conclude that post processing 3D SPH data with SimpleX is a viable tool to create ionization maps for eta Car.

Eta Carinae↗

Wireless Phone Threat Assessment for Aircraft Communication and Navigation Radios

Emissions in aircraft communication and navigation bands are measured for the latest generation of wireless phones. The two wireless technologies considered, GSM/GPRS and CDMA2000, are the latest available to general consumers in the U.S. A base-station simulator is used to control the phones. The measurements are conducted using reverberation chambers, and the results are compared against FCC and aircraft installed equipment emission limits. The results are also compared against baseline emissions from laptop computers and personal digital assistant devices that are currently allowed to operate on aircraft.

Nguyens, T. X.↗

Interactions Between Climate Policy and Technology-influenced Travel Behavior: Mitigating Induced Demand from CACC

Advances in vehicle technology have influenced the development of automated vehicle systems, where vehicles that do not require human intervention are already deployed in the roadway networks. While these advances are proved to increase roadway safety and highway capacity, more research is needed to understand the long-term and regional-level impacts on mobility, land use, energy consumption, and emissions. This study proposes a multi-model approach to analyze the effect of vehicle automation and deep decarbonization policies over a period from 2020 to 2040 in Austin, Texas. We use the Global Change Analysis Model (GCAM) to develop internally the scenarios that are then passed to the SMART Mobility modeling workflow, a large-scale simulation framework combining the POLARIS activity-based travel demand model and mesoscopic traffic simulator with the Autonomie vehicle energy consumption model and the UrbanSim land use simulator. Results suggest that the introduction of vehicles with advanced automation could increase fuel consumption when no decarbonization policies are implemented. Also, advances in vehicle technology research and development could lead to a decline in energy use in the long-term. Energy pricing and vehicle electrification incentives could help reduce the impact of vehicle automation. Finally, our analysis indicates the relevance of introducing land use processes in longterm vehicle automation studies.

land use↗

Validating the simulation of beam-ion charge exchange in MAST Upgrade

Abstract Simulation of the impact of charge-exchange (CX) reactions on beam ions in the Mega Amp Spherical Tokamak (MAST) Upgrade was compared to measurements carried out with a fission chamber (neutron fluxes) and a fast ion deuterium-alpha (FIDA) diagnostic. A simple model was developed to reconstruct the outer-midplane neutral density based on measurements of deuterium-alpha emission from edge neutrals, and on Thomson scattering measurements of electron density and temperature. The main computational tools used were the ASCOT orbit-following code and the FIDASIM code for producing synthetic FIDA signals. The neutral density reconstruction agrees qualitatively with SOLPS-ITER modelling and yields a synthetic passive FIDA signal that is consistent with measurement. When CX losses of beam ions are accounted for, predicted neutron emission rates are quantitatively more consistent with measurement. It was necessary to account for CX losses of beam ions in simulations to reproduce the measured passive FIDA signal quantitatively and qualitatively. The results suggest that the neutral density reconstruction is a good approximation, that CX with edge neutrals causes significant beam-ion losses in MAST Upgrade, typically 20% of beam power, and that the ASCOT fast-ion CX model can be used to accurately predict the redistribution and loss of beam ions due to CX.

Physics↗

Impacts of Climate Change on Surface Ozone and Intercontinental Ozone Pollution: A Multi-Model Study

The impact of climate change between 2000 and 2095 SRES A2 climates on surface ozone (O)3 and on O3 source-receptor (S-R) relationships is quantified using three coupled climate-chemistry models (CCMs). The CCMs exhibit considerable variability in the spatial extent and location of surface O3 increases that occur within parts of high NOx emission source regions (up to 6 ppbv in the annual average and up to 14 ppbv in the season of maximum O3). In these source regions, all three CCMs show a positive relationship between surface O3 change and temperature change. Sensitivity simulations show that a combination of three individual chemical processes-(i) enhanced PAN decomposition, (ii) higher water vapor concentrations, and (iii) enhanced isoprene emission-largely reproduces the global spatial pattern of annual-mean surface O3 response due to climate change (R2 = 0.52). Changes in climate are found to exert a stronger control on the annual-mean surface O3 response through changes in climate-sensitive O3 chemistry than through changes in transport as evaluated from idealized CO-like tracer concentrations. All three CCMs exhibit a similar spatial pattern of annual-mean surface O3 change to 20% regional O3 precursor emission reductions under future climate compared to the same emission reductions applied under present-day climate. The surface O3 response to emission reductions is larger over the source region and smaller downwind in the future than under present-day conditions. All three CCMs show areas within Europe where regional emission reductions larger than 20% are required to compensate climate change impacts on annual-mean surface O3.

Troposphere: constituent transport and chemistry↗

A Bifunctional Pt/CeO 2 -Cu 1 /CeO 2 Catalyst System for Isooctane Oxidation under Fully Simulated Engine-Exhaust Condition: Eliminating the Inhibition by CO

Pt-based catalysts, because of their outstanding activity for hydrocarbon oxidation, are widely used in the engine-exhaust aftertreatment system to remove hydrocarbon emissions. However, the CO and NO x present in real engine exhausts compete with hydrocarbons for active Pt sites, and thus inhibit hydrocarbon oxidation. In this work, we evaluated the inhibition effects of CO and NO on isooctane oxidation over a Pt/CeO 2 catalyst under the simulated condition of the US DRIVE test protocol (S-GDI, stoichiometric gasoline direct injection). We also leveraged a low-cost single-atom Cu 1 /CeO 2 catalyst, which is highly active for low-temperature CO oxidation, to eliminate the inhibition effect of CO. Specifically, by physically mixing Cu 1 /CeO 2 and Pt/CeO 2 , all the CO is completely converted below 200 °C under simulated exhaust condition, which helps lower the isooctane oxidation temperature. However, the unconverted NO still strongly suppresses HC oxidation. Possible strategies to address the NO inhibitor were proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ATOMIC Simulations and Experimental Data for Basalt-like Compounds

This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [2]. The makeup of the plasma was considered to be divided into some proportion water, some proportion Martian atmosphere (CO2), and some proportion target (from the rock or object impacted by the laser), where these proportions add to 1. Based on expert knowledge, the proportion of water was kept in the range [0.0,0.5] and the proportion of atmosphere was kept in the range [0.02, 0.9]. Our overall suite of simulations contains six sets of simulations that differ in which elements were considered to make up the target. Within each set, we used uniformly drawn temperatures and log mass densities within pre-specified ranges. The temperature range was [0.5,1.5] eV and the log (base 10) mass density range was [-7,-4]. The proportion of water, atmosphere, and target were drawn from a symmetric Dirichlet distribution, but draws in which the propor- tion of water or atmosphere exceeded the pre-specified limits were rejected from the design. Up to eleven constituent elements (Si, Al, Fe, Mg, Ca, O, Ti, Mn, Na, K, P) were considered for the target, as they are the most common elements found in basalt compounds and were used in [1]. For each run, the proportions of the constituent elements making up the target were drawn from a symmetric Dirichlet distribution. We ran 1,350 simulations that included nonzero proportions of all eleven elements. We also ran simulations which excluded some of these elements. In particular, we ran 1,000 simulations that only included nonzero proportions for the six most common elements (Si, Al, Fe, Mg, Ca, O). We also ran five sets, each with 500 simulations, that only included nonzero proportions for five of the six most common elements (but where all sets included O). Thus, we generated a total of 4,850 spectra representing basalt-like compounds in which the target was comprised of oxygen and between four and ten other elements. The ATOMIC code produced spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. Each spectra had 32,000 wavelengths split across three spectrometer ranges (to mimic ChemCam). The experimental data, described in [1], measures a prepared basalt sample. All files are kept in directories whose names indicate the set of elements considered for the target with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file which contains a header with measurement information, followed by a collection of 50 shots across a collection of wavelengths, along with the computed median and mean across shots.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Constraining Fossil Fuel CO2 Emissions from Urban Area Using OCO-2 Observations of Total Column CO2

Satellite observations of the total column dry-air CO2(XCO2) are expected to support the quantification and monitoring of fossil fuel CO2 (ffCO2) emissions from urban areas. We evaluate the utility of the Orbiting Carbon Observatory 2 (OCO-2) XCO2 retrievals to optimize whole-city emissions, using a Bayesian inversion system and high-resolution transport modeling. The uncertainties of constrained emissions related to transport model, satellite measurements, and local biospheric fluxes are quantified. For the first two uncertainty sources, we examine cities of different landscapes: “plume city” located in relatively flat terrain, represented by Riyadh and Cairo; “basin city” located in basin terrain, represented by Los Angeles (LA). The retrieved scaling factors of emissions and their uncertainties show prominent variabilities from track to track, due to the varying meteorological conditions and relative locations of the tracks transecting plumes. To explore the performance of multiple tracks in retrieving emissions, pseudo data experiments are carried out. The estimated least number of tracks required to constrain the total emissions for Riyadh (<10% uncertainty), Cairo (<10%), and LA (<5%) are 5, 8, and 7, respectively. Additionally, to evaluate the impact of biospheric fluxes on derivation of the ffXCO2 enhancements, we conduct simulations for Pearl River Delta metropolitan area. Significant fractions of local XCO2 enhancements associated with local biospheric XCO2 variations are shown, which potentially lead to biased estimates of ffCO2 emissions. We demonstrate that satellite measurements can be used to improve urban ffCO2 emissions with a sufficient amount of measurements and appropriate representations of the uncertainty components.

Xinxin Ye↗

The effect of jet–ejecta interaction on the viewing angle dependence of kilonova light curves

ABSTRACT The merger of two neutron stars produces an outflow of radioactive heavy nuclei. Within a second of merger, the central remnant is expected to also launch a relativistic jet, which shock-heats and disrupts a portion of the radioactive ejecta. Within a few hours, emission from the radioactive material gives rise to an ultraviolet, optical, and infrared transient (a kilonova). We use the endstates of a suite of 2D relativistic hydrodynamic simulations of jet–ejecta interaction as initial conditions for multidimensional Monte Carlo radiation transport simulations of the resulting viewing angle-dependent light curves and spectra starting at $1.5\, \mathrm{h}$ after merger. We find that on this time-scale, jet shock heating does not affect the kilonova emission for the jet parameters we survey. However, the jet disruption to the density structure of the ejecta does change the light curves. The jet carves a channel into the otherwise spheroidal ejecta, revealing the hot, inner regions. As seen from near (≲30°) the jet axis, the kilonova is brighter by a factor of a few and bluer. The strength of this effect depends on the jet parameters, since the light curves of more heavily disrupted ejecta are more strongly affected. The light curves and spectra are also more heavily modified in the ultraviolet than in the optical.

Klion, Hannah↗

Kinetic Temperature and Carbon Dioxide from Broadband Infrared Limb Emission Measurements Taken from the TIMED/SABER Instrument

The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) experiment is one of four instruments on NASA's Thermosphere-Ionosphere-Energetics and Dynamics (TIMED) satellite. SABER measures broadband infrared limb emission and derives vertical profiles of kinetic temperature (Tk) from the lower stratosphere to approximately 120 km, and vertical profiles of carbon dioxide (CO2) volume mixing ratio (vmr) from approximately 70 km to 120 km. In this paper we report on SABER Tk/CO2 data in the mesosphere and lower thermosphere (MLT) region from the version 1.06 dataset. The continuous SABER measurements provide an excellent dataset to understand the evolution and mechanisms responsible for the global two-level structure of the mesopause altitude. SABER MLT Tk comparisons with ground-based sodium lidar and rocket falling sphere Tk measurements are generally in good agreement. However, SABER CO2 data differs significantly from TIME-GCM model simulations. Indirect CO2 validation through SABER-lidar MLT Tk comparisons and SABER-radiation transfer comparisons of nighttime 4.3 micron limb emission suggest the SABER-derived CO2 data is a better representation of the true atmospheric MLT CO2 abundance compared to model simulations of CO2 vmr.

Mertens, Christopher J.↗

Gravity Wave Energetics Determined From Coincident Space-Based and Ground-Based Observations of Airglow Emissions

Significant progress was made toward the goals of this proposal in a number of areas during the covered period. Section 5.1 contains a copy of the originally proposed schedule. The tasks listed below have been accomplished: (1) Construction of space-based observing geometry gravity wave model. This model has been described in detail in the paper accompanying this report (Section 5.2). It can simulate the observing geometry of both ground-based, and orbital instruments allowing comparisons to be made between them. (2) Comparisons of relative emission intensity, temperatures, and Krassovsky's ratio for space- and ground-based observing geometries. These quantities are used in gravity wave literature to describe the effects of the waves on the airglow. (3) Rejection of Bates [1992], and Copeland [1994] chemistries for gravity wave modeling purposes. Excessive 02(A(sup 13)(Delta)) production led to overproduction of O2(b(sup 1)(Sigma)), the state responsible for the emission of O2. Atmospheric band. Attempts were made to correct for this behavior, but could not adequately compensate for this. (4) Rejection of MSX dataset due to lack of coincident data, and resolution necessary to characterize the waves. A careful search to identify coincident data revealed only four instances, with only one of those providing usable data. Two high latitude overpasses and were contaminated by auroral emissions. Of the remaining two mid-latitude coincidences, one overflight was obscured by cloud, leaving only one ten minute segment of usable data. Aside from the statistical difficulties involved in comparing measurements taken in this short period, the instrument lacks the necessary resolution to determine the vertical wavelength of the gravity wave. This means that the wave cannot be uniquely characterized from space with this dataset. Since no observed wave can be uniquely identified, model comparisons are not possible.

Source record↗

A Model of Double Coronal Hard X-Ray Sources in Solar Flares

A number of double coronal X-ray sources have been observed during solar flares by RHESSI, where the two sources reside at different sides of the inferred reconnection site. However, where and how these X-ray-emitting electrons are accelerated remains unclear. Here we present the first model of the double coronal hard X-ray (HXR) sources, where electrons are accelerated by a pair of termination shocks driven by bidirectional fast reconnection outflows. We model the acceleration and transport of electrons in the flare region by numerically solving the Parker transport equation using velocity and magnetic fields from the macroscopic magnetohydrodynamic simulation of a flux rope eruption. We show that electrons can be efficiently accelerated by the termination shocks and high-energy electrons mainly concentrate around the two shocks. The synthetic HXR emission images display two distinct sources extending to >100 keV below and above the reconnection region, with the upper source much fainter than the lower one. The HXR energy spectra of the two coronal sources show similar spectral slopes, consistent with the observations. Our simulation results suggest that the flare termination shock can be a promising particle acceleration mechanism in explaining the double-source nonthermal emissions in solar flares.

79 ASTRONOMY AND ASTROPHYSICS↗

Agricultural Fires in the Southeastern U.S. During SEAC4RS: Emissions of Trace Gases and Particles and Evolution of Ozone, Reactive Nitrogen, and Organic Aerosol

Emissions from 15 agricultural fires in the southeastern U.S. were measured from the NASA DC-8 research aircraft during the summer 2013 Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) campaign. This study reports a detailed set of emission factors (EFs) for 25 trace gases and 6 fine particle species. The chemical evolution of the primary emissions in seven plumes was examined in detail for ~1.2 h. A Lagrangian plume cross-section model was used to simulate the evolution of ozone (O3), reactive nitrogen species, and organic aerosol (OA). Observed EFs are generally consistent with previous measurements of crop residue burning, but the fires studied here emitted high amounts of SO2 and fine particles, especially primary OA and chloride. Filter-based measurements of aerosol light absorption implied that brown carbon (BrC) was ubiquitous in the plumes. In aged plumes, rapid production of O3, peroxyacetyl nitrate (PAN), and nitrate was observed with (Delta)O3/(Delta)CO, (Delta)PAN/(Delta)NOy, and (Delta)nitrate/(Delta)NOy reaching approx. 0.1, approx. 0.3, and approx.0.3. For five selected cases, the model reasonably simulated O3 formation but underestimated PAN formation. No significant evolution of OA mass or BrC absorption was observed. However, a consistent increase in oxygen-to-carbon (O/C) ratios of OA indicated that OA oxidation in the agricultural fire plumes was much faster than in urban and forest fire plumes. Finally, total annual SO2, NOx, and CO emissions from agricultural fires in Arkansas, Louisiana, Mississippi, and Missouri were estimated (within a factor of approx. 2) to be equivalent to approx. 2% SO2 from coal combustion and approx. 1% NOx and approx. 9% CO from mobile sources.

OA mass or BrC absorption↗

Controlling Ligand Excimer Formation with Dipole Changes in Emissive Rare-Earth/Phosphonic Acid Complexes

The interactions between substituted arylvinyl phosphonic acid (AVPA) ligands within a Eu-AVPA complex are shown to influence the outcomes of excited state evolution after photoexcitation. Compared with unfunctionalized AVPAs, pairs of ligands functionalized with CF 3 in the para position preassociate in the ground state of complexes with Eu 3+ according to calculated geometry optimizations. The CF 3 -substituted AVPA complexes show evidence of red-shifted optical absorption and undergo more efficient excimer formation, as revealed by transient absorption spectroscopy. We rationalize this behavior through simulations of excited-state geometry optimizations that reveal evolution toward interligand phenyl-phenyl planarity for specific excited states. Emission from complexed Eu 3+ after energy transfer from the ligand is found to be weaker with CF 3 substitution, which we hypothesize is due to intracomplex, interligand aggregates with excimer-promoting geometries. These observations point to the need to consider ground-state geometries as well as dynamic excited-state processes to understand the flow of energy in rare earth coordination complexes.

09 BIOMASS FUELS↗

Resonant double-core excitations with ultrafast, intense X-ray pulses

Intense few-to-sub-femtosecond soft X-ray pulses can produce neutral, two-site excited double-core-hole states by promoting two core electrons to the same unoccupied molecular orbital. We theoretically investigate double nitrogen K-edge excitations of nitrous oxide (N$_2$O) with multiconfigurational electronic structure calculations. We show that the second core-excitation energy is reduced with respect to its ground state value. A site-selective double core-excitation mechanism using intense few-femtosecond x-rays is investigated using time-dependent Schrodinger equation (TDSE) simulations. The subsequent two-step Auger-Meitner and two-electrons-one-electron decay spectra of the double core-excited states are analysed using a Mulliken population analysis of the multiconfirational wavefunctions. The change in the electron emission lineshape between the absorption of 1 or 2 photons in the resonant core-excitation is predicted by combining this approach with the TDSE simulations. Furthermore, we examine the possibility of resolving the double core-excited states with X-ray pump-probe techniques by calculating the chemical shifts of the core-electron binding energy of the core-excited states and decay products.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of techniques and associated instrumentation for high temperature emissivity measurements

Studies were made to develop a test apparatus for the measurement of total emittance of materials under repeated exposure to simulated earth entry conditions. As no existing test facility met the emittance measurement and entry simulation goals, a new apparatus was designed, fabricated and checked out. This apparatus has the capability of performing total and spectral emittance measurements during cyclic temperature and pressure exposure under sonic and supersonic flow conditions. Emittance measurements were performed on a series of oxidized superalloys, silicide coated columbium alloys and ceramic coatings.

Cunnington, G. R.↗

Relativistic dispersion modifications to the cyclotron maser theory of planetary radio emissions

The effects of relativistic dispersion on the electron-cyclotron maser instability are investigated by means of linear theory, electromagnetic particle simulation, and quasilinear theory. Saturation of the instability is due to perpendicular diffusion in momentum space, and the saturation level increases as the plasma frequency/electron cyclotron ratio is decreased. Applications of the maser instability to the generation of the the earth's auroral kilometric radiation are discussed.

Pritchett, P. L.↗