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At least 1,243 records · Page 69

Computational fluid dynamics analysis of char conversion in Sandia’s pressurized entrained flow reactor

Design and analysis of practical reactors utilizing solid feedstocks rely on reaction rate parameters that are typically generated in lab-scale reactors. Evaluation of the reaction rate information often relies on assumptions of uniform temperature, velocity, and species distributions in the reactor, in lieu of detailed measurements that provide local information. This assumption might be a source of substantial error, since reactor designs can impose significant inhomogeneities, leading to data misinterpretation. Spatially resolved reactor simulations help understand the key processes within the reactor and support the identification of severe variations of temperature, velocity, and species distributions. In this work, Sandia’s pressurized entrained flow reactor is modeled to identify inhomogeneities in the reaction zone. Tracer particles are tracked through the reactor to estimate the residence times and burnout ratio of introduced coal char particles in gasifying environments. The results reveal a complex mixing environment for the cool gas and particles entering the reactor along the centerline and the main high-speed hot gas reactor flow. Furthermore, the computational fluid dynamics (CFD) results show that flow asymmetries are introduced through the use of a horizontal gas pre-heating section that connects to the vertical reactor tube. Computed particle temperatures and residence times in the reactor differ substantially from the idealized plug flow conditions typically evoked in interpreting experimental measurements. Furthermore, experimental measurements and CFD analysis of heat flow through porous refractory insulation suggest that for the investigated conditions (1350 °C, <20 atm), the thermal conductivity of the insulation does not increase substantially with increasing pressure.

47 OTHER INSTRUMENTATION↗

Improving Global Analysis and Short-Range Forecast Using Rainfall and Moisture Observations Derived from TRMM and SSM/I Passive Microwave Instruments

The Global Precipitation Mission, a satellite project under consideration as a follow-on to the Tropical Rainfall Measuring Mission (TRMM) by the National Aeronautics and Space Agency (NASA) in the United States, the National Space Development Agency (NASDA) in Japan, and other international partners, comprises an improved TRMM-like satellite and a constellation of 8 satellites carrying passive microwave radiometers to provide global rainfall measurements at 3-hour intervals. The success of this concept relies on the merits of rainfall estimates derived from passive microwave radiometers. This article offers a proof-of-concept demonstration of the benefits of using, rainfall and total precipitable water (TPW) information derived from such instruments in global data assimilation with observations from the TRMM Microwave Imager (TMI) and 2 Special Sensor Microwave/Imager (SSM/I) instruments. Global analyses that optimally combine observations from diverse sources with physical models of atmospheric and land processes can provide a comprehensive description of the climate systems. Currently, such data analyses contain significant errors in primary hydrological fields such as precipitation and evaporation, especially in the tropics. We show that assimilating the 6-h averaged TMI and SSM/I surface rainrate and TPW retrievals improves not only the hydrological cycle but also key climate parameters such as clouds, radiation, and the upper tropospheric moisture in the analysis produced by the Goddard Earth Observing System (GEOS) Data Assimilation System, as verified against radiation measurements by the Clouds and the Earth's Radiant Energy System (CERES) instrument and brightness temperature observations by the TIROS Operational Vertical Sounder (TOVS) instruments. Typically, rainfall assimilation improves clouds and radiation in areas of active convection, as well as the latent heating and large-scale motions in the tropics, while TPW assimilation leads to reduced moisture biases and improved radiative fluxes in clear-sky regions. Ensemble forecasts initialized with analyses that incorporate TMI and SSM/I rainfall and TPW data also yield better short-range predictions of geopotential heights, winds, and precipitation in the tropics. This study offers a compelling illustration of the potential of using rainfall and TPW information derived from passive microwave instruments to significantly improve the quality of 4-dimensional global datasets for climate analysis and weather forecasting applications.

Hou, Arthur Y.↗

Uncertainty Estimation for SMAP Level-1 Brightness Temperature Assimilation at Different Timescales

Soil Moisture Active Passive (SMAP) mission brightness temperature (T(b) ) observations are assimilated into NASA’s Catchment Land Surface Model using an Ensemble Kalman filter to update simulations of surface and root-zone soil moisture. Different time series components of the T(b) observations are assimilated including anomalies, inter-annual variations, and high frequency variations. To optimize the weights that the data assimilation (DA) puts on the observations, the ratio between the uncertainties of modeled and observed T(b) is approximated using modeled and observed soil moisture uncertainties estimated using triple collocation analysis. In a benchmark experiment, T(b) observations are assimilated using a spatially constant 4 Kelvin (K) observation uncertainty, as in the operational SMAP Level-4 algorithm. All DA experiments exhibit notable skill improvements in most regions. Improvements are largest for the inter-annual variations in the simulations of both surface and root-zone soil moisture (mean improvements in terms of Pearson correlation (-) are 0.08 and 0.06, respectively). Anomaly simulations improve similarly (0.07), and improvements in the high-frequency variations are only observed for surface soil moisture simulations (0.06). No notable difference in skill - neither improvement nor deterioration - is observed between the experiments that use optimized observation uncertainty parameters and the 4 K benchmark experiment. This may be explained by the presence of large observation operator errors, which are analytically shown to have the potential to render post-update uncertainty insensitive to inaccuracies in estimates of the Kalman gain. These results have important implications for the design of soil moisture DA systems, in particular for parameterizing model and observation uncertainties.

Hydrology↗

A comparative analysis of GPS range, Doppler and interferometric observations for geodetic positioning

Geodetic positioning accuracies obtained from range, integrated Doppler and double differenced interferometric phase observations from a constellation of twenty-four Global Positioning System satellites are presented. It is demonstrated the GPS range and Doppler observations will provide sufficient accuracy for the estimation of geodetic coordinates. However the instability of the receiver atomic oscillator will limit the usefulness of these observations in providing rapid first-order baseline determination. Interferometric phase measurements twice differenced to eliminate clock error appear as an alternate procedure for providing such accuracies.

Fell, P. J.↗

A Method for Assessing the Quality of Model-Based Estimates of Ground Temperature and Atmospheric Moisture Using Satellite Data

A method is developed for validating model-based estimates of atmospheric moisture and ground temperature using satellite data. The approach relates errors in estimates of clear-sky longwave fluxes at the top of the Earth-atmosphere system to errors in geophysical parameters. The fluxes include clear-sky outgoing longwave radiation (CLR) and radiative flux in the window region between 8 and 12 microns (RadWn). The approach capitalizes on the availability of satellite estimates of CLR and RadWn and other auxiliary satellite data, and multiple global four-dimensional data assimilation (4-DDA) products. The basic methodology employs off-line forward radiative transfer calculations to generate synthetic clear-sky longwave fluxes from two different 4-DDA data sets. Simple linear regression is used to relate the clear-sky longwave flux discrepancies to discrepancies in ground temperature ((delta)T(sub g)) and broad-layer integrated atmospheric precipitable water ((delta)pw). The slopes of the regression lines define sensitivity parameters which can be exploited to help interpret mismatches between satellite observations and model-based estimates of clear-sky longwave fluxes. For illustration we analyze the discrepancies in the clear-sky longwave fluxes between an early implementation of the Goddard Earth Observing System Data Assimilation System (GEOS2) and a recent operational version of the European Centre for Medium-Range Weather Forecasts data assimilation system. The analysis of the synthetic clear-sky flux data shows that simple linear regression employing (delta)T(sub g)) and broad layer (delta)pw provides a good approximation to the full radiative transfer calculations, typically explaining more thin 90% of the 6 hourly variance in the flux differences. These simple regression relations can be inverted to "retrieve" the errors in the geophysical parameters, Uncertainties (normalized by standard deviation) in the monthly mean retrieved parameters range from 7% for (delta)T(sub g) to approx. 20% for the lower tropospheric moisture between 500 hPa and surface. The regression relationships developed from the synthetic flux data, together with CLR and RadWn observed with the Clouds and Earth Radiant Energy System instrument, ire used to assess the quality of the GEOS2 T(sub g) and pw. Results showed that the GEOS2 T(sub g) is too cold over land, and pw in upper layers is too high over the tropical oceans and too low in the lower atmosphere.

Wu, Man Li C.↗

Association Kinetics for Perfluorinated n -Alkyl Radicals

Radical-radical reaction channels are important in the pyrolysis and oxidation chemistry of perfluoroalkyl substances (PFAS). In particular, unimolecular dissociation reactions within unbranched n-perfluoroalkyl chains, and their corresponding reverse barrierless association reactions, are expected to be significant contributors to the gas-phase thermal decomposition of families of species such as perfluorinated carboxylic acids and perfluorinated sulfonic acids. Unfortunately, experimental data for these reactions are scarce and uncertain. Furthermore, obtaining reliable theoretical predictions for such reactions is a laborious and computationally intensive task. Here, in this work, the chemical kinetics of the various association/decomposition reactions producing/decomposing the C 2 -C 4 series of unbranched n-perfluoroalkanes (C 2 F 6 , C 3 F 8 , and C 4 F 10 ) are examined using state-of-the-art ab initio transition-state-theory-based master-equation calculations. The variable-reaction-coordinate transition-state theory (VRC-TST) formalism is employed in computing the microcanonical and canonical rates for the association reactions. Reaction thermochemistry is obtained via composite quantum chemistry calculations and the laddering of error-canceling reaction schemes via a connectivity-based hierarchy approach employing ANL1/ANL0-style reference energies. Lennard-Jones collision model parameters for the considered systems were estimated by a direct dynamics approach, and collisional energy transfer parameters were obtained from analogies to systems of similar size and heavy-atom connectivity. A one-dimensional master equation approach was used to convert the microcanonical rate coefficients from the VRC-TST analysis into temperature- and pressure-dependent rate constants for the association reactions and the reverse dissociation reactions. The data are reported in standardized formats for usage in comprehensive chemical kinetic models for PFAS thermal destruction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Arctic ice surface temperature retrieval from AVHRR thermal channels

The relationship between AVHRR thermal radiances and the surface (skin) temperature of Arctic snow-covered sea ice is examined through forward calculations of the radiative transfer equation, providing an ice/snow surface temperature retrieval algorithm for the central Arctic Basin. Temperature and humidity profiles with cloud observations collected on an ice island during 1986-1987 are used. Coefficients that correct for atmospheric attenuation are given for three Arctic clear sky 'seasons', as defined through statistical analysis of the daily profiles, for the NOAA 7, 9, and 11 satellites. Modeled directional snow emissivities, different in the two split-window (11 and 12 micron) channels, are used. While the sensor scan angle is included explicitly in the correction equation, its effect in the dry Arctic atmosphere is small, generally less than 0.1 K. Using the split-window channels and scan angle, the rms error in the estimated ice surface temperature is less than 0.1 K in all seasons. Inclusion channel 3(3.7 microns) during the winter decreases the rms error by less than 0.003

Key, J.↗

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devices. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed.

Zhu, Shen↗

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devises. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed in the presentation.

Zhu, Shen↗

Estimating the Properties of Hard X-Ray Solar Flares by Constraining Model Parameters

We wish to better constrain the properties of solar flares by exploring how parameterized models of solar flares interact with uncertainty estimation methods. We compare four different methods of calculating uncertainty estimates in fitting parameterized models to Ramaty High Energy Solar Spectroscopic Imager X-ray spectra, considering only statistical sources of error. Three of the four methods are based on estimating the scale-size of the minimum in a hypersurface formed by the weighted sum of the squares of the differences between the model fit and the data as a function of the fit parameters, and are implemented as commonly practiced. The fourth method is also based on the difference between the data and the model, but instead uses Bayesian data analysis and Markov chain Monte Carlo (MCMC) techniques to calculate an uncertainty estimate. Two flare spectra are modeled: one from the Geostationary Operational Environmental Satellite X1.3 class flare of 2005 January 19, and the other from the X4.8 flare of 2002 July 23.We find that the four methods give approximately the same uncertainty estimates for the 2005 January 19 spectral fit parameters, but lead to very different uncertainty estimates for the 2002 July 23 spectral fit. This is because each method implements different analyses of the hypersurface, yielding method-dependent results that can differ greatly depending on the shape of the hypersurface. The hypersurface arising from the 2005 January 19 analysis is consistent with a normal distribution; therefore, the assumptions behind the three non- Bayesian uncertainty estimation methods are satisfied and similar estimates are found. The 2002 July 23 analysis shows that the hypersurface is not consistent with a normal distribution, indicating that the assumptions behind the three non-Bayesian uncertainty estimation methods are not satisfied, leading to differing estimates of the uncertainty. We find that the shape of the hypersurface is crucial in understanding the output from each uncertainty estimation technique, and that a crucial factor determining the shape of hypersurface is the location of the low-energy cutoff relative to energies where the thermal emission dominates. The Bayesian/MCMC approach also allows us to provide detailed information on probable values of the low-energy cutoff, Ec, a crucial parameter in defining the energy content of the flare-accelerated electrons. We show that for the 2002 July 23 flare data, there is a 95% probability that Ec lies below approximately 40 keV, and a 68% probability that it lies in the range 7-36 keV. Further, the low-energy cutoff is more likely to be in the range 25-35 keV than in any other 10 keV wide energy range. The low-energy cutoff for the 2005 January 19 flare is more tightly constrained to 107 +/- 4 keV with 68% probability.

X-rays↗

Sentinel-1 Snow Depth Assimilation to Improve River Discharge Estimates in the Western European Alps

Seasonal snow is an important water source and contributor to river discharge in mountainous regions. Therefore the amount of snow and its distribution are necessary inputs for hydrological modeling. Recent research has shown the potential of the Sentinel-1 radar satellite to map snow depth (SD) at sub-kilometer resolution in mountainous regions. In this study we assimilate these new SD retrievals into the Noah-Multiparameterization land surface model using an ensemble Kalman filter for the western European Alps. The land surface model was coupled to the Hydrological Modeling and Analysis Platform (HyMAP), a global flow routing scheme that provides simulations of routed river discharge. The performance with different precipitation forcing inputs, namely MERRA-2 (with and without gauge based correction) and ERA5, was compared based on in situ precipitation and SD stations, with ERA5 leading to the best SD performance. The Sentinel-1 based data assimilation (DA) results show small but systematic improvements for SD estimates, with the mean absolute error reducing from 36.4 cm for the open loop (OL) to 35.6 cm for the DA across all stations and timesteps, improving 318 out of 516 in situ sites. The DA updates in SD also result in enhanced snow water equivalent and discharge simulations. The median temporal correlation between discharge simulations and measurements increases from 0.73 to 0.78 for the DA. This study demonstrates the utility of the Sentinel-1 SD retrievals to improve not only the representation of snow in mountain ranges, but also the snow melt contribution to river discharge, and hydrological modeling in general.

Isis Brangers↗

An Initial Analysis of the Pixel-Level Uncertainties in Global MODIS Cloud Optical Thickness and Effective Particle Size Retrievals

Moderate Resolution Imaging Spectroradiometer (MODIS) retrievals of cloud optical thickness and effective particle radius employ well-known solar reflectance techniques using pre-calculated reflectance look-up tables. We evaluate the quantitative uncertainty in simultaneous retrievals of cloud optical thickness and particle size for this type of algorithm. The technique uses sensitivity calculations derived from the reflectance look-up tables, coupled with estimates for the effect of various error terms on the uncertainty in inferring the actual cloud-top reflectance. The error terms include the effects of instrument calibration, surface spectral albedo, and atmospheric corrections on both water and ice cloud retrievals. Because particle shapes in ice clouds are highly variable, the effect of particle shape is analyzed separately with a more approximate method. Results will deal exclusively with pixel-level uncertainties associated with plane-parallel clouds; real-world radiative departures from a plane-parallel model are an additional consideration. While we demonstrate the uncertainty technique with operational 1 km MODIS retrievals from the Terra and Aqua satellite platforms, the technique is applicable to any reflectance-based satellite- or air-borne sensor retrieval using similar spectral channels.

Platnick, S.↗

Space infrared telescope pointing control system. Infrared telescope tracking in the presence of target motion

The use of charge-coupled-devices, or CCD's, has been documented by a number of sources as an effective means of providing a measurement of spacecraft attitude with respect to the stars. A method exists of defocussing and interpolation of the resulting shape of a star image over a small subsection of a large CCD array. This yields an increase in the accuracy of the device by better than an order of magnitude over the case when the star image is focussed upon a single CCD pixel. This research examines the effect that image motion has upon the overall precision of this star sensor when applied to an orbiting infrared observatory. While CCD's collect energy within the visible spectrum of light, the targets of scientific interest may well have no appreciable visible emissions. Image motion has the effect of smearing the image of the star in the direction of motion during a particular sampling interval. The presence of image motion is incorporated into a Kalman filter for the system, and it is shown that the addition of a gyro command term is adequate to compensate for the effect of image motion in the measurement. The updated gyro model is included in this analysis, but has natural frequencies faster than the projected star tracker sample rate for dim stars. The system state equations are reduced by modelling gyro drift as a white noise process. There exists a tradeoff in selected star tracker sample time between the CCD, which has improved noise characteristics as sample time increases, and the gyro, which will potentially drift further between long attitude updates. A sample time which minimizes pointing estimation error exists for the random drift gyro model as well as for a random walk gyro model.

Powell, J. D.↗

Rain volume estimation over areas using satellite and radar data

The analysis of 18 convective clusters demonstrates that the extension of the Area-Time-Integral (ATI) technique to the use of satellite data is possible. The differences of the internal structures of the radar reflectivity features, and of the satellite features, give rise to differences in estimating rain volumes by delineating area; however, by focusing upon the area integrated over the lifetime of the storm, it is suggested that some of the errors produced by the differences in the cloud geometries as viewed by radar or satellite are minimized. The results are good and future developments should consider data from different climatic regions and should allow for implementation of the technique in a general circulation model.

Doneaud, Andre A.↗

Performance of Variable Coded Modulations over a Nonlinear Channel for VCM Protocol Red Book

This presentation provides a summary of the results obtained from a study which evaluates the performance of variable coded modulations specified in the "Variable Coded Modulation Protocol" CCSDS Red Book, over a nonlinear channel that is currently on the CCSDS Blue Book track. The objectives are to perform simulation that identifies the operating signal-to-noise-power ratio required to achieve a codeword error rate of 1e-4 over the specified nonlinear channel for various modulations (i.e. BPSK, QPSK, 8-PSK) and LDPC coding schemes, and compare against performance over an ideal additive white Gaussian channel. We select a only subset of operating modes to perform the analysis which are based on a number of mitigation techniques to combat the nonlinear distortions. Specifically, transmitter centroidal pre-distortion, phase post-distortion and receiver mean phase estimation are analyzed in this study.

coding↗

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The high computational scaling with the basis set size and the number of correlated electrons is a bottleneck limiting applications of coupled cluster algorithms, in particular for calculations based on two- or four-component relativistic Hamiltonians, which often employ uncontracted basis sets. This problem may be alleviated by replacing canonical Hartree–Fock virtual orbitals by natural orbitals (NOs). Here, in this paper, we describe the implementation of a module for generating NOs for correlated wavefunctions and, in particular, second order Møller–Plesset perturbation frozen natural orbitals (MP2FNOs) as a component of our novel implementation of relativistic coupled cluster theory for massively parallel architectures [Pototschnig et al. J. Chem. Theory Comput. 17, 5509, (2021)]. Our implementation can manipulate complex or quaternion density matrices, thus allowing for the generation of both Kramers-restricted and Kramers-unrestricted MP2FNOs. Furthermore, NOs are re-expressed in the parent atomic orbital (AO) basis, allowing for generating coupled cluster singles and doubles NOs in the AO basis for further analysis. By investigating the truncation errors of MP2FNOs for both the correlation energy and molecular properties—electric field gradients at the nuclei, electric dipole and quadrupole moments for hydrogen halides HX (X = F–Ts), and parity-violating energy differences for H 2 Z 2 (Z = O–Se)—we find MP2FNOs accelerate the convergence of the correlation energy in a roughly uniform manner across the Periodic Table. It is possible to obtain reliable estimates for both energies and the molecular properties considered with virtual molecular orbital spaces truncated to about half the size of the full spaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Diabatic error and propagation of Majorana zero modes in interacting quantum dots systems

Motivated by recent experimental progress in realizing Majorana zero modes (MZMs) using quantum dot systems, we investigate the diabatic errors associated with the movement of those MZMs. The movement is achieved by tuning time-dependent gate potentials applied to individual quantum dots, effectively creating a moving potential wall. To probe the optimized movement of MZMs, we calculate the experimentally accessible time-dependent fidelity and local density-of-states using many-body time-dependent numerical methods. Furthermore, our analysis reveals that an optimal potential wall height is crucial to preserve the well-localized nature of the MZM during its movement. Moreover, we analyze diabatic errors in realistic quantum-dot systems, incorporating the effects of repulsive Coulomb interactions and disorder in both hopping and pairing terms. Additionally, we provide a comparative study of diabatic errors arising from the simultaneous versus sequential tuning of multiple gates during the MZMs movement. Finally, we estimate the timescale required for MZM transfer in a six-quantum-dot system, demonstrating that MZM movement is feasible and can be completed well within the qubit's operational lifetime in practical quantum-dot setups.

Density of states↗

PSR J0030+0451 Mass and Radius from NICER Data and Implications for the Properties of Neutron Star Matter

Neutron stars are not only of astrophysical interest, but are also of great interest to nuclear physicists because their attributes can be used to determine the properties of the dense matter in their cores. One of the most informative approaches for determining the equation of state (EoS) of this dense matter is to measure both a star's equatorial circumferential radius R e and its gravitational mass M. Here we report estimates of the mass and radius of the isolated 205.53 Hz millisecond pulsar PSR J0030+0451 obtained using a Bayesian inference approach to analyze its energy-dependent thermal X-ray waveform, which was observed using the Neutron Star Interior Composition Explorer (NICER). This approach is thought to be less subject to systematic errors than other approaches for estimating neutron star radii. We explored a variety of emission patterns on the stellar surface. In this work, our best-fit model has three oval, uniform-temperature emitting spots and provides an excellent description of the pulse waveform observed using NICER. The radius and mass estimates given by this model are ${R}_{e}={13.02}_{-1.06}^{+1.24}$ km and $M={1.44}_{-0.14}^{+0.15}\,{M}_{\odot }$ (68%). The independent analysis reported in the companion paper by Riley et al. explores different emitting spot models, but finds spot shapes and locations and estimates of R e and M that are consistent with those found in this work. We show that our measurements of R e and M for PSR J0030+0451 improve the astrophysical constraints on the EoS of cold, catalyzed matter above nuclear saturation density.

79 ASTRONOMY AND ASTROPHYSICS↗