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At least 739 records · Page 41

Using SCIAMACHY and Ground-based FTS Measurements to Test the OCO X(sub CO2) Retrieval and Validation Approach

Global, space-based observations of atmospheric CO2 with precision, resolution, and coverage needed to monitor sources and sinks: a) Spectra of reflected/scattered sunlight in NIR CO2 and O2 bands used to estimate X(sub CO2) with large sensitivity to surface; b) A-train orbit (1:15 PM polar sun sync); c) 16 day repeat cycle samples seasonal cycle on semi-monthly intervals; and d) NASA ESSP (Earth Space System Pathfinder) scheduled for Sept 2008 launch; 2 yrs lifetime. Initial comparison of SCIAMACHY and FTS retrievals for Park Falls: a) Positive bias in X(sub CO2) of approx. 10 ppm; and b) Negative bias in surface pressure After correction of spectral artifacts in O2A band: a) Largely improved agreement between SCIAMACHY and FTS X(sub CO2) (without clear bias) and in surface pressure; and b) Standard deviation of SCIAMACHY X(sub CO2 approx. 6 ppm. Good qualitative agreement with GEOS-CHEM, with GEOS-CHEM underestimating seasonal cycle. OCO is a dedicated CO2 instrument and will achieve much higher accuracy and precision: a) much higher spectral resolution (by factor of 20); and b) smaller ground pixels (by factor of 600).

CO2 measurements↗

Salt Sample Statistical Study

Historically there has, at times, been large variability in measured uranium concentration amongst salt samples taken at the same time from the electrorefiner with relative standard deviations ranging from 0.59% up to a high of 114%. This has led to uncertainty in the actual uranium content of the salt. A series of surrogate experiments were performed with gadolinium to study the effects of Li2O, Gd2O3, and Gd metal additions to an LiCl-KCl-GdCl3 salt on the gadolinium content of the salt. These experiments showed no increase in salt sample variability following the additions of the mentioned species, indicating that the carryover of these species from the oxide reduction process may not lead to the historic variability issues.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

Mechanistic understanding of large molecule conversion and the discovery of suitable heterogeneous catalysts have been lagging due to the combinatorial inventory of intermediates and the inability of humans to enumerate all structures. Here, we introduce an automated framework to predict stable configurations on transition metal surfaces and demonstrate its validity for adsorbates with up to 6 carbon and oxygen atoms on 11 metals, enabling the exploration of ~10 8 potential configurations. It combines a graph enumeration platform, force field, multi-fidelity DFT calculations, and first-principles trained machine learning. Clusters in the data reveal groups of catalysts stabilizing different structures and expose selective catalysts for showcase transformations, such as the ethylene epoxidation on Ag and Cu and the lack of C-C scission chemistry on Au. Deviations from the commonly assumed atom valency rule of small adsorbates are also manifested. This library can be leveraged to identify catalysts for converting large molecules computationally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

TH-AB-201-11: Small-Field Beam Quality Corrections and Their Clinical Impact for Flattened and Unflattened Fields of the TrueBeam

Purpose: To determine small-field beam quality correction factors for several detectors used with flattened and unflattened beams of the Varian TrueBeam accelerator, and to quantify the clinical impact of these corrections through a treatment planning study. Methods: Small-field beam quality correction factors were measured and simulated in EGSnrc for several microchambers and diodes. The Exradin W1 plastic scintillation detector was used as a reference for the measured results, and its response was validated using alanine measurements traceable to a primary standard. Symmetric, jaw-defined field sizes ranging from 6 mm to 10 cm were used. Twelve hypofractionated clinical cases were then recalculated and/or reoptimized using beam models that were modified based on the resulting output factors. Three-dimensional dose distributions and cumulative dose-volume-histogram plots were compared between the models. The impact of these measurements on the flattening-filter-scatter-source (FFSS) model, and its subsequent effect on treatment plans, was also investigated. Results: The diodes exhibited over-response in small fields, whereas the microchambers tended to under-respond as field size decreased. Field-size-dependent effects were less significant for the flattening-filter-free beams (i.e., corrections were closer to unity) than for flattened fields of the same size. Recalculated and reoptimized plans displayed varying levels of deviation from the original dose distributions, with larger discrepancies at effective jaw settings of 3×3 cm{sup 2} or smaller. Dose distributions calculated using uncorrected microchamber output factors and/or modified FFSS showed large discrepancies in the low-dose regions, which manifested as DVH changes for the organs at risk (OAR). Conclusion: Field-size-dependent beam quality corrections were measured and simulated for ionization chambers and diodes typically used in small fields. Plans calculated with models based on these measured data showed dosimetric deviations mainly out of field, which affected OAR dose metrics. Accordingly, these beam quality corrections should be accounted for during commissioning to ensure greater treatment planning accuracy.

07 ISOTOPE AND RADIATION SOURCES↗

Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism

Real macromolecular crystals can be non-ideal in a myriad of ways. This often creates challenges for structure determination, while also offering opportunities for greater insight into the crystalline state and the dynamic behavior of macromolecules. To evaluate whether different parts of a single crystal of a dynamic protein, EutL, might be informative about crystal and protein polymorphism, a microfocus X-ray synchrotron beam was used to collect a series of 18 separate data sets from non-overlapping regions of the same crystal specimen. A principal component analysis (PCA) approach was employed to compare the structure factors and unit cells across the data sets, and it was found that the 18 data sets separated into two distinct groups, with large R values (in the 40% range) and significant unit-cell variations between the members of the two groups. This categorization mapped the different data-set types to distinct regions of the crystal specimen. Atomic models of EutL were then refined against two different data sets obtained by separately merging data from the two distinct groups. A comparison of the two resulting models revealed minor but discernable differences in certain segments of the protein structure, and regions of higher deviation were found to correlate with regions where larger dynamic motions were predicted to occur by normal-mode molecular-dynamics simulations. The findings emphasize that large spatially dependent variations may be present across individual macromolecular crystals. This information can be uncovered by simultaneous analysis of multiple partial data sets and can be exploited to reveal new insights about protein dynamics, while also improving the accuracy of the structure-factor data ultimately obtained in X-ray diffraction experiments.

Thompson, Michael C. (ORCID:0000000260992027)↗

Direct Measurement of the Cosmic-Ray Helium Spectrum from 40 GeV to 250 TeV with the Calorimetric Electron Telescope on the International Space Station

We present the results of a direct measurement of the cosmic-ray helium spectrum with the CALET instrument in operation on the International Space Station since 2015. The observation period covered by this analysis spans from October 13, 2015, to April 30, 2022 (2392 days). The very wide dynamic range of CALET allowed for the collection of helium data over a large energy interval, from ∼40 GeV to ∼250 TeV, for the first time with a single instrument in low Earth orbit. The measured spectrum shows evidence of a deviation of the flux from a single power law by more than 8σ with a progressive spectral hardening from a few hundred GeV to a few tens of TeV. This result is consistent with the data reported by space instruments including PAMELA, AMS-02, and DAMPE and balloon instruments including CREAM. At higher energy we report the onset of a softening of the helium spectrum around 30 TeV (total kinetic energy). Though affected by large uncertainties in the highest energy bins, the observation of a flux reduction turns out to be consistent with the most recent results of DAMPE. A double broken power law is found to fit simultaneously both spectral features: the hardening (at lower energy) and the softening (at higher energy). A measurement of the proton to helium flux ratio in the energy range from 60 GeV=n to about 60 TeV=n is also presented, using the CALET proton flux recently updated with higher statistics.

O Adriani↗

Large spacecraft antennas: Conical ring-membrane reflectors

A 1.83-m diameter furlable conical Gregorian antenna based on a novel spoke-supported ring-membrane concept has been successfully demonstrated. Mechanical measurements of the conical reflecting surface, as well as BE gain measurements at Ku-band, show an rms surface deviation from the proper conical surface of 0.3 mm and a repeatability after multiple furling-unfurling cycles of + or - 0.05 mm. Design features and performance characteristics of this antenna indicate that the spoke-supported ring-membrane concept is a promising approach for producing large, furlable, lightweight, conical reflectors for spacecraft high-gain antennas.

Oliver, R. E.↗

Pseudospectral Maxwell solvers for an accurate modeling of Doppler harmonic generation on plasma mirrors with particle-in-cell codes

With the advent of petawatt class lasers, the very large laser intensities attainable on target should enable the production of intense high-order Doppler harmonics from relativistic laser-plasma mirror interactions. At present, the modeling of these harmonics with particle-in-cell (PIC) codes is extremely challenging as it implies an accurate description of tens to hundreds of harmonic orders on a broad range of angles. In particular, we show here that due to the numerical dispersion of waves they induce in vacuum, standard finite difference time domain (FDTD) Maxwell solvers employed in most PIC codes can induce a spurious angular deviation of harmonic beams potentially degrading simulation results. This effect was extensively studied and a simple toy model based on the Snell-Descartes law was developed that allows us to finely predict the angular deviation of harmonics depending on the spatiotemporal resolution and the Maxwell solver used in the simulations. Our model demonstrates that the mitigation of this numerical artifact with FDTD solvers mandates very high spatiotemporal resolution preventing realistic three-dimensional (3D) simulations even on the largest computers available at the time of writing. Finally, we finally show that nondispersive pseudospectral analytical time domain solvers can considerably reduce the spatiotemporal resolution required to mitigate this spurious deviation and should enable in the near future 3D accurate modeling on supercomputers in a realistic time to solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Are turbulence effects on droplet collision–coalescence a key to understanding observed rain formation in clouds?

Rain formation is a critical factor governing the lifecycle and radiative forcing of clouds and therefore it is a key element of weather and climate. Cloud microphysics–turbulence interactions occur across a wide range of scales and are challenging to represent in atmospheric models with limited resolution. Based on past experiments and idealized numerical simulations, it has been postulated that cloud turbulence accelerates rain formation by enhancing drop collision–coalescence. We provide substantial evidence for significant impacts of turbulence on the evolution of cloud droplet size distributions and rain formation by comparing high-resolution observations of cumulus congestus clouds with state-of-the-art large-eddy simulations coupled with a Lagrangian particle-based microphysics scheme. Turbulent coalescence must be included in the model to accurately represent the observed drop size distributions, especially for drizzle drop sizes at lower heights in the cloud. Turbulence causes earlier rain formation and greater rain accumulation compared to simulations with gravitational coalescence only. The observed rain size distribution tail just above cloud base follows a power law scaling that deviates from theoretical scalings considering either a purely gravitation collision kernel or a turbulent kernel neglecting droplet inertial effects, providing additional evidence for turbulent coalescence in clouds. In contrast, large aerosols acting as cloud condensation nuclei (“giant CCN”) do not significantly impact rain formation owing to their long timescale to reach equilibrium wet size relative to the lifetime of rising cumulus thermals. Overall, turbulent drop coalescence exerts a dominant influence on rain initiation in warm cumulus clouds, with limited impacts of giant CCN.

54 ENVIRONMENTAL SCIENCES↗

Higher order moments of the matter distribution in scale-free cosmological simulations with large dynamic range

We calculate reduced moments (xi bar)(sub q) of the matter density fluctuations, up to order q = 5, from counts in cells produced by particle-mesh numerical simulations with scale-free Gaussian initial conditions. We use power-law spectra P(k) proportional to k(exp n) with indices n = -3, -2, -1, 0, 1. Due to the supposed absence of characteristic times or scales in our models, all quantities are expected to depend on a single scaling variable. For each model, the moments at all times can be expressed in terms of the variance (xi bar)(sub 2), alone. We look for agreement with the hierarchical scaling ansatz, according to which ((xi bar)(sub q)) proportional to ((xi bar)(sub 2))(exp (q - 1)). For n less than or equal to -2 models, we find strong deviations from the hierarchy, which are mostly due to the presence of boundary problems in the simulations. A small, residual signal of deviation from the hierarchical scaling is however also found in n greater than or equal to -1 models. The wide range of spectra considered and the large dynamic range, with careful checks of scaling and shot-noise effects, allows us to reliably detect evolution away from the perturbation theory result.

Lucchin, Francesco↗

Simulation of Fluid Flow and Collection Efficiency for an SEA Multi-element Probe

Numerical simulations of fluid flow and collection efficiency for a Science Engineering Associates (SEA) multi-element probe are presented. Simulation of the flow field was produced using the Glenn-HT Navier-Stokes solver. Three-dimensional unsteady results were produced and then time averaged for the heat transfer and collection efficiency results. Three grid densities were investigated to enable an assessment of grid dependence. Simulations were completed for free stream velocities ranging from 85-135 meters per second, and free stream total pressure of 44.8 and 93.1 kilopascals (6.5 and 13.5 pounds per square inch absolute). In addition, the effect of angle of attack and yaw were investigated by including 5 degree deviations from straight for one of the flow conditions. All but one of the cases simulated a probe in isolation (i.e. in a very large domain without any support strut). One case is included which represents a probe mounted on a support strut within a finite sized wind tunnel. Collection efficiencies were generated, using the LEWICE3D code, for four spherical particle sizes, 100, 50, 20, and 5 micron in diameter. It was observed that a reduction in velocity of about 20% occurred, for all cases, as the flow entered the shroud of the probe. The reduction in velocity within the shroud is not indicative of any error in the probe measurement accuracy. Heat transfer results are presented which agree quite well with a correlation for the circular cross section heated elements. Collection efficiency results indicate a reduction in collection efficiency as particle size is reduced. The reduction with particle size is expected, however, the results tended to be lower than the previous results generated for isolated two-dimensional elements. The deviation from the two-dimensional results is more pronounced for the smaller particles and is likely due to the reduced flow within the protective shroud. As particle size increases differences between the two-dimensional and three dimensional results become negligible. Taken as a group, the total collection efficiency of the elements including the effects of the shroud has been shown to be in the range of 0.93 to 0.99 for particles above 20 microns. The 3D model has improved the estimated collection efficiency for smaller particles where errors in previous estimates were more significant.

Water Content↗

Rapid Commissioning of Large Machine Tools Using Finite Element-Based Correction of Geometric Errors

Large computer numerical control (CNC) machine tools derive their stiffness from monolithic cast iron bases or weldments that are sometimes integral to machine motion systems like box ways or guideways. However, the sheer size of castings and even floor flatness deviations result in dimensional errors in these systems, which manifest as machine motion errors. Typical geometric alignment processes rely on an iterative approach, where measurements are taken to assess alignment (straightness, squareness, and parallelism), followed by adjustment of the machine supports (fixators or leveling pads), which can take weeks even for an experienced operator. Conversely, a novel method is proposed to shorten the correction time by eliminating the trial-and-error process in favor of a more deterministic approach guided by a finite element (FE) method. A feasibility study is conducted on a CNC polymer hybrid machine, with a steel weldment frame, supported by six leveling pads. An FE model of the frame is utilized to obtain recommended leveling pad adjustments, based on measurement of machine errors taken using a laser tracker. After a single adjustment cycle, measurements reveal that geometric errors of the machine tool are reduced from 2.22 mm of flatness deviation to 0.32 mm, achieving an 85.6% reduction. Furthermore, the entire process including measurement, adjustment, and assessment is completed in just 6 h by two operators who are not professional service engineers. In conclusion, this methodology demonstrates feasibility for scaling up, especially to large, high-precision CNC machine tools with bases mounted by fixators, offering the capability for bidirectional adjustment.

42 ENGINEERING↗

Atmospheric structure determined from satellite data

The capabilities of the Nimbus 6 satellite sounding data for use in synoptic analysis were considered and interpreted. An evaluation of the ability of the satellite sounding data to detect and depict structural features of the atmosphere was made on the basis of vertical profiles of average difference and standard deviation of differences between satellite and rawinsonde data at nine pressure levels from 850 to 100 mb; and constant pressure charts and cross sections of satellite, rawinsonde and difference values. Results indicate that satellite measurements of temperature as well as the vertical lapse rate and horizontal gradient of temperature are accurate enough to show large scale patterns but not to precisely define fronts or tropopauses; satellite measurements of dew point temperature are smoothed enough to severely reduce contrasts between air masses across fronts; the magnitude of the standard deviation of differences between rawinsonde and satellite data for most variables increases with the synoptic activity in the region; and the most reliable variables to examine from satellite data for depiction of synoptic features are the temperature equivalent potential temperature and mixing ratio.

Knight, K. S.↗

A Study on Modeled Wind Speed Errors Using the U.S. Department of Energy Buoys

Pacific Northwest National Laboratory (PNNL) operates two AXYS WindSentinel lidar buoys for the U.S. Department of Energy’s Wind Energy Technologies Office. The purpose of these buoys is to collect hub-height winds and supporting meteorological and oceanographic information to facilitate the development of wind energy in the U.S. waters. The first deployment for one buoy was off the coast of Virginia from December 2014 to May 2016, and the first deployment for the other buoy was off the coast of New Jersey from November 2015 until February 2017. This report describes recent analysis of data collected during these first two deployments. Specifically, we compare hub-height wind speed estimates using Monin-Obukhov Similarity Theory (MOST) to the lidar measurements, and examine how those errors are affected by wind direction, atmospheric stability, wind-wave direction differences, and various measures of the wave-state. The comparisons are done using standard similarity functions based on MOST; including the Businger - Dyer, the Beljaars & Holtslag and the Vickers & Mahrt similarity functions. All models produce large errors over the range of atmospheric stabilities that were observed, with the largest errors occurring for stable flows. The Vickers & Mahrt function resulted in the largest overall bias and standard deviation, while Beljaars & Holtslag function gave the smallest bias and standard deviation due to its better performance under stable conditions. The models perform best under unstable conditions, but even in this regime there is a consistent overestimation of the wind speed of between roughly 0 to 1 ms -1 compared to the lidar measurements. We identify specific metocean conditions (i.e. stability and wind and wave directions) at each of the deployment locations that lead to large errors in MOST predictions. Finally, a coupled ocean-atmosphere model framework was investigated to simulate large errors in weather research forecasting (WRF).

17 WIND ENERGY↗

Search for resonant and nonresonant new phenomena in high-mass dilepton final states at $\sqrt{s}$ = 13 TeV

A search is presented for physics beyond the standard model (SM) using electron or muon pairs with high invariant mass. A data set of proton-proton collisions collected by the CMS experiment at the LHC at √s = 13 TeV from 2016 to 2018 corresponding to a total integrated luminosity of up to 140 fb -1 is analyzed. No significant deviation is observed with respect to the SM background expectations. Upper limits are presented on the ratio of the product of the production cross section and the branching fraction to dileptons of a new narrow resonance to that of the Z boson. These provide the most stringent lower limits to date on the masses for various spin-1 particles, spin-2 gravitons in the Randall-Sundrum model, as well as spin-1 mediators between the SM and dark matter particles. Lower limits on the ultraviolet cutoff parameter are set both for four-fermion contact interactions and for the Arkani-Hamed, Dimopoulos, and Dvali model with large extra dimensions. Lepton flavor universality is tested at the TeV scale for the first time by comparing the dimuon and dielectron mass spectra. No significant deviation from the SM expectation of unity is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Characterizing agricultural impacts of recent large-scale US droughts and changing technology and management

Process-based agricultural models, applied in novel ways, can reproduce historical crop yield anomalies in the US, with median absolute deviation from observations of 6.7% at national-level and 11% at state-level. In seasons for which drought is the overriding factor, performance is further improved. Historical counterfactual scenarios for the 1988 and 2012 droughts show that changes in agricultural technologies and management have reduced system-level drought sensitivity in US maize production by about 25% in the intervening years. Finally, we estimate the economic costs of the two droughts in terms of insured and uninsured crop losses in each US county (for a total, adjusted for inflation, of 9 billion USD in 1988 and 21.6 billion USD in 2012). We compare these with cost estimates from the counterfactual scenarios and with crop indemnity data where available. Model-based measures are capable of accurately reproducing the direct agro-economic losses associated with extreme drought and can be used to characterize and compare events that occurred under very different conditions. This study suggests new approaches to modeling, monitoring, forecasting, and evaluating drought impacts on agriculture, as well as evaluating technological changes to inform adaptation strategies for future climate change and extreme events.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗