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DOE OSTI2023

Resolving experimental biases in the interpretation of diffusion experiments with a user-friendly numerical reactive transport approach

The reactive transport code CrunchClay was used to derive effective diffusion coefficients (D e ), clay porosities (ε), and adsorption distribution coefficients (K D ) from through-diffusion data while considering accurately the influence of unavoidable experimental biases on the estimation of these diffusion parameters. These effects include the presence of filters holding the solid sample in place, the variations in concentration gradients across the diffusion cell due to sampling events, the impact of tubing/dead volumes on the estimation of diffusive fluxes and sample porosity, and the effects of O-ring-filter setups on the delivery of solutions to the clay packing. Doing so, the direct modeling of the measurements of (radio)tracer concentrations in reservoirs is more accurate than that of data converted directly into diffusive fluxes. While the above-mentioned effects have already been described individually in the literature, a consistent modeling approach addressing all these issues at the same time has never been described nor made easily available to the community. A graphical user interface, CrunchEase, was created, which supports the user by automating the creation of input files, the running of simulations, and the extraction and comparison of data and simulation results. While a classical model considering an effective diffusion coefficient, a porosity and a solid/solution distribution coefficient (D e –ε–K D ) may be implemented in any reactive transport code, the development of CrunchEase makes it easy to apply by experimentalists without a background in reactive transport modeling. CrunchEase makes it also possible to transition more easily from a D e –ε–K D modeling approach to a state-of-the-art process-based understanding modeling approach using the full capabilities of CrunchClay, which include surface complexation modeling and a multi-porosity description of the clay packing with charged diffuse layers.

58 GEOSCIENCES↗

DOE OSTI2018

Final Report UCLA-Thermochemical Storage with Anhydrous Ammonia

In ammonia-based thermochemical energy storage (TCES), ammonia is dissociated endothermically as it absorbs solar energy during the daytime. When energy is required, the reverse reaction releases energy to heat a working fluid such as steam, to produce electricity. Ammonia-based TCES has great advantages of simplicity, low cost reactants, and a strong industrial base in the conventional ammonia industry. The concept has been demonstrated over three decades of research at Australian National University, achieving a 24-hour demonstration of a complete system. At the start of this project, three challenges were identified that would have to be addressed to show that the system is technically and economically viable for incorporation into a CSP plant with an advanced, high temperature power block. All three of these challenges have now been addressed: 1. The ammonia synthesis reaction had not, to our knowledge, been carried out at temperatures consistent with modern power blocks (i.e., ~650°C). The technical feasibility of operating a reactor under high-temperature, near-equilibrium conditions was an unknown, and was therefore a technical risk. The project has successfully demonstrated steam heating to 650°C and energy recovery to steam at the 5 kWt level. 2. The ammonia system has a relatively low enthalpy of reaction combined with gas phase reactants. This is not a direct disadvantage since the reactants themselves are low cost. The challenge lies in storing the required volume of reactants cost effectively. Therefore, a second key goal was to show, through techno-economic analysis, that underground storage technologies can be used to store the energy-rich gas at a cost that is consistent with the SunShot cost goal. We have identified two promising technologies for gas storage: storage in salt caverns has an estimated cost of 1(USD)/kWht and storage in drilled shafts could be on the order of 7(USD)/kWht. Together these two options answer the technical challenge associated with storage of gas phase components. 3. While this project is primarily concerned with high-temperature heat recovery and methods to store the gaseous components, it is also important to consider the feasibility of the entire system. Consequently, an additional goal was to perform analysis to show the feasibility of integrating endothermic reactors within a tower receiver. A conceptual design of an ammonia dissociation receiver/reactor has been developed that fits into the same size cylindrical envelope as the molten salt receiver in SAM, and has the same design thermal capacity. The calculated thermal efficiency of this receiver is 94.6%. Thus, this investigation has established the technical feasibility of a surround field tower system using ammonia dissociation. With these challenges addressed, we proceeded to design a full-scale synthesis and heat recovery system. A model was developed and validated by comparison with our experimental data. A parametric study showed, among other things, the importance of using small tube diameters and spacing to enhance heat transfer. Multi-parameter optimization was used to find a design that minimizes the wall material volume. Finally, cost estimation shows that the ammonia system has good prospects of meeting the Sunshot 15(USD)/kWht target: estimated costs of the entire synthesis system for the 220 MWt plant with 6 hours of storage are 13(USD)/kWht using salt cavern storage and 18(USD)/kWht using shaft drilling. Costs per kWht are even lower with more hours of storage. With the established technology of ammonia synthesis as a starting point, the successes of the project have mitigated technical risks associated with high-temperature synthesis reaction, underground storage, and tower receiver design. Estimated costs are less than 15(USD)/kWht with salt cavern storage. It is now possible to map a time line to commercial deployment that is likely to be shorter and less risky than other thermochemical cycles under active investigation. UCLA has filed a patent that protects the new ideas developed during this project. Discussions are ongoing with potential investors with the aim of partnering for further work. As well as immediate improvements and extra work with the existing experimental system, a key goal is to extend it to a small solar-driven project at an early opportunity.

14 SOLAR ENERGY↗

DOE OSTI2022

Qualitative trend analysis based on a mixed-integer representation

Shape constrained spline fitting is a useful method to impose prior knowledge onto flexible semi-parametric models during parameter estimation. Most typically, the function shape is imposed through order restrictions on the regression coefficients. The intended shape is considered known or selected based on heuristic rules. In this study, we present a method to estimate the optimal set of order restrictions to segment a univariate data series into episodes with distinct shapes. This is also known as the qualitative trend analysis (QTA) problem. The obtained solution uses a trade-off between lack-of-fit and model complexity. Further, our practical implementation takes inspiration from the generalized order restricted information criterion (GORIC) for inequality-constrained model selection. From this, one learns (a) that QTA can be formulated as a mixed-integer quadratic program (MIQP) and (b) that the newly proposed mixed order restricted information criterion (MORIC) enables optimal segmentation. This is illustrated through didactic case studies.

42 ENGINEERING↗

DOE OSTI2017

Orbits for 18 Visual Binaries and Two Double-line Spectroscopic Binaries Observed with HRCAM on the CTIO SOAR 4 m Telescope, Using a New Bayesian Orbit Code Based on Markov Chain Monte Carlo

We present orbital elements and mass sums for 18 visual binary stars of spectral types B to K (five of which are new orbits) with periods ranging from 20 to more than 500 yr. For two double-line spectroscopic binaries with no previous orbits, the individual component masses, using combined astrometric and radial velocity data, have a formal uncertainty of ∼0.1 M{sub ⊙}. Adopting published photometry and trigonometric parallaxes, plus our own measurements, we place these objects on an H-R diagram and discuss their evolutionary status. These objects are part of a survey to characterize the binary population of stars in the Southern Hemisphere using the SOAR 4 m telescope+HRCAM at CTIO. Orbital elements are computed using a newly developed Markov chain Monte Carlo (MCMC) algorithm that delivers maximum-likelihood estimates of the parameters, as well as posterior probability density functions that allow us to evaluate the uncertainty of our derived parameters in a robust way. For spectroscopic binaries, using our approach, it is possible to derive a self-consistent parallax for the system from the combined astrometric and radial velocity data (“orbital parallax”), which compares well with the trigonometric parallaxes. We also present a mathematical formalism that allows a dimensionality reduction of the feature space from seven to three search parameters (or from 10 to seven dimensions—including parallax—in the case of spectroscopic binaries with astrometric data), which makes it possible to explore a smaller number of parameters in each case, improving the computational efficiency of our MCMC code.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Initial study of Schroedinger eigenmaps for spectral target detection

Spectral target detection refers to the process of searching for a specific material with a known spectrum over a large area containing materials with different spectral signatures. Traditional target detection methods in hyperspectral imagery (HSI) require assuming the data fit some statistical or geometric models and based on the model, to estimate parameters for defining a hypothesis test, where one class (i.e., target class) is chosen over the other classes (i.e., background class). Nonlinear manifold learning methods such as Laplacian eigenmaps (LE) have extensively shown their potential use in HSI processing, specifically in classification or segmentation. Recently, Schroedinger eigenmaps (SE), which is built upon LE, has been introduced as a semisupervised classification method. In SE, the former Laplacian operator is replaced by the Schroedinger operator. The Schroedinger operator includes by definition, a potential term V that steers the transformation in certain directions improving the separability between classes. In this regard, we propose a methodology for target detection that is not based on the traditional schemes and that does not need the estimation of statistical or geometric parameters. This method is based on SE, where the potential term V is taken into consideration to include the prior knowledge about the target class and use it to steer the transformation in directions where the target location in the new space is known and the separability between target and background is augmented. An initial study of how SE can be used in a target detection scheme for HSI is shown here. Inscene pixel and spectral signature detection approaches are presented. Finally, the HSI data used comprise various target panels for testing simultaneous detection of multiple objects with different complexities.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1988

Spaceborne meteorological radar studies

Various radar designs and methods are studied for the estimation of rainfall parameters from space. An immediate goal is to support the development of the spaceborne radar that has been proposed for the Tropical Rain Measuring Mission (TRMM). The effort is divided into two activities: a cooperative airborne rain measuring experiment with the Radio Research Laboratory of Japan (RRL), and the modelling of spaceborne weather radars. An airborne rain measuring experiment was conducted at Wallops Flight Facility in 1985 to 1986 using the dual-wavelength radar/radiometer developed by RRL. The data are presently being used to test a number of methods that are relevant to spaceborne weather radars. An example is shown of path-averaged rain rates as estimated from three methods: the standard reflectivity rain rate method (Z-R), a dual-wavelength method, and a surface reference method. The results from the experiment shows for the first time the feasibility of using attenuation methods from space. The purposes of the modelling are twofold: to understand in a quantitative manner the relationships between a particular radar design and its capability for estimating precipitation parameters and to help devise and test new methods. The models are being used to study the impact of various TRMM radar designs on the accuracy of rain rate estimation as well as to test the performance of range-profiling algorithms, the mirror-image method, and some recently devised graphical methods for the estimation of the drop size distribution.

Meneghini, R.↗

NASA NTRS2021

Variation of Ice Microphysical Properties With Temperature and Humidity at Tops of Convective Clouds

A better understanding of the many interacting processes governing the evaluation of ice in natural clouds is required to improve the representation of ice clouds in global circulation models. Recent studies suggest a dominant role of vapor growth processes in determining the temperature dependence of cloud top ice sizes and shapes. Using airborne cloud remote sensing along with reanalysis data, here we show that observed cloud top ice effective radii and estimated normalized growth rates at cloud top highly correlate with an approximately linear relationship, which is consistent with a conceptual model also presented. Furthermore, significant differences in crystal shape characteristics and scattering asymmetry parameters are found between sub- and super-saturated cloud tops over ocean, although not over land. These results provide valuable observational targets for studying ice formation and evolution processes using models, while also helping interpretation of satellite observations of ice microphysical properties at cloud tops.

ice↗

NASA NTRSDate not supplied

CONUS and Global Carbon Consumption Database for Wildland Fire

Fire plays a significant role on both national and global scales, profoundly impacting landscapes shaped by human activity as well as wildlands. Even though fire can be devastating, wildland fire is a natural and integral force on our landscapes. Fires can also serve to reduce fuels to mitigate wildfire risk and maintain healthy ecosystem functions. However, the smoke produced by fires, regardless of their size or purpose, can pose adverse effects on human health when inhaled downwind. Understanding the influence of smoke on air quality and human well-being necessitates the quantification of emissions that fires release into the atmosphere. In response to this need, we have developed a carbon consumption database for the Continental United States (CONUS) and are developing a global carbon consumption database, both of which are directly link to distinct fuels within various fire danger categories. Fuel Characteristic Classification System (FCCS) fuels are used to parameterize biomass, and consumption is broken down into five Fire Danger categories (Low, Moderate, High, Very High, Extreme), for both ‘new’ and ‘residual’ burning scenarios. Residual burned area is defined as burning in areas that have recently burned. We implemented the FCCS 30-meter CONUS fuelbed dataset during the 2019 Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) campaign to estimate daily carbon emissions. Our emissions estimates were rigorously compared against in-situ measurements of CO2, CO, and black carbon aerosols, revealing a robust agreement between the two datasets. The 300-meter global database builds upon the foundations of the Pettinari, M. Lucrecia (2015) Global Fuelbed database, a global fuel map with standardized FCCS biomass parameters. These products can serve as valuable tools when used in conjunction with burned area data to rapidly and accurately estimate carbon consumed and released into the atmosphere.

FCCS↗

NASA NTRS1979

Multistage variable probability forest volume inventory

An inventory scheme based on the use of computer processed LANDSAT MSS data was developed. Output from the inventory scheme provides an estimate of the standing net saw timber volume of a major timber species on a selected forested area of the Navajo Nation. Such estimates are based on the values of parameters currently used for scaled sawlog conversion to mill output. The multistage variable probability sampling appears capable of producing estimates which compare favorably with those produced using conventional techniques. In addition, the reduction in time, manpower, and overall costs lend it to numerous applications.

Anderson, J. E.↗

DOE OSTI2016

DREISS: Using State-Space Models to Infer the Dynamics of Gene Expression Driven by External and Internal Regulatory Networks

Gene expression is controlled by the combinatorial effects of regulatory factors from different biological subsystems such as general transcription factors (TFs), cellular growth factors and microRNAs. A subsystem’s gene expression may be controlled by its internal regulatory factors, exclusively, or by external subsystems, or by both. It is thus useful to distinguish the degree to which a subsystem is regulated internally or externally–e.g., how non-conserved, species-specific TFs affect the expression of conserved, cross-species genes during evolution. We developed a computational method (DREISS, dreiss.gerteinlab.org) for analyzing the Dynamics of gene expression driven by Regulatory networks, both External and Internal based on State Space models. Given a subsystem, the “state” and “control” in the model refer to its own (internal) and another subsystem’s (external) gene expression levels. The state at a given time is determined by the state and control at a previous time. Because typical time-series data do not have enough samples to fully estimate the model’s parameters, DREISS uses dimensionality reduction, and identifies canonical temporal expression trajectories (e.g., degradation, growth and oscillation) representing the regulatory effects emanating from various subsystems. To demonstrate capabilities of DREISS, we study the regulatory effects of evolutionarily conserved vs. divergent TFs across distant species. In particular, we applied DREISS to the time-series gene expression datasets of C. elegans and D. melanogaster during their embryonic development. We analyzed the expression dynamics of the conserved, orthologous genes (orthologs), seeing the degree to which these can be accounted for by orthologous (internal) versus species-specific (external) TFs. We found that between two species, the orthologs have matched, internally driven expression patterns but very different externally driven ones. This is particularly true for genes with evolutionarily ancient functions (e.g. the ribosomal proteins), in contrast to those with more recently evolved functions (e.g., cell-cell communication). This suggests that despite striking morphological differences, some fundamental embryonic-developmental processes are still controlled by ancient regulatory systems.

Biochemistry & Molecular Biology↗

DOE OSTI2021

On the estimation of boundary layer heights: a machine learning approach

Abstract. The planetary boundary layer height (zi) is a key parameter used in atmospheric models for estimating the exchange of heat, momentum, and moisture between the surface and the free troposphere. Near-surface atmospheric and subsurface properties (such as soil temperature, relative humidity, etc.) are known to have an impact on zi. Nevertheless, precise relationships between these surface properties and zi are less well known and not easily discernible from the multi-year dataset. Machine learning approaches, such as random forest (RF), which use a multi-regression framework, help to decipher some of the physical processes linking surface-based characteristics to zi. In this study, a 4-year dataset from 2016 to 2019 at the Southern Great Plains site is used to develop and test a machine learning framework for estimating zi. Parameters derived from Doppler lidars are used in combination with over 20 different surface meteorological measurements as inputs to a RF model. The model is trained using radiosonde-derived zi values spanning the period from 2016 through 2018 and then evaluated using data from 2019. Results from 2019 showed significantly better agreement with the radiosonde compared to estimates derived from a thresholding technique using Doppler lidars only. Noteworthy improvements in daytime zi estimates were observed using the RF model, with a 50 % improvement in mean absolute error and an R2 of greater than 85 % compared to the Tucker method zi. We also explore the effect of zi uncertainty on convective velocity scaling and present preliminary comparisons between the RF model and zi estimates derived from atmospheric models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1983

Design criteria and eigensequence plots for satellite computed tomography

The use of the degrees of freedom for signal is proposed as a design criteria for comparing different designs for satellite and other measuring systems. It is also proposed that certain eigensequence plots be examined at the design stage along with appropriate estimates of the parameter lambda playing the role of noise to signal ratio. The degrees of freedom for signal and the eigensequence plots may be determined using prior information in the spectral domain which is presently available along with a description of the system, and simulated data for estimating lambda. This work extends the 1972 work of Weinreb and Crosby.

Wahba, G.↗

NASA NTRS1985

Design criteria and eigensequence plots for satellite-computed tomography

Wahba, G.↗

NASA NTRS2020

Optical Navigation for Autonomous Approach of Small Unknown Bodies

State of the practice in navigation around small celestial bodies heavily relies on ground sup- port and human skill, in particular, for perception-based operations such as optical navigation and mapping. This leads to longer duration and more complex mission operations and sub- sequently higher cost. Furthermore, it imposes limitations for certain missions such as fast fly-bys or multi-agent operations. In this work, we present an autonomous navigation strat- egy suitable for approaching small unexplored bodies. During the approach, we estimate the body’s physical properties as well as the spacecraft’s relative trajectory and associated un- certainties. The autonomous navigation strategy, which is solely based on optical measure- ments, begins as soon as the body becomes resolved in the navigation camera and terminates at the start of proximity operations, when the spacecraft makes its first trajectory correction to stay in the vicinity of the body. Our strategy uses multiple image-processing algorithms: light-curve analysis for estimating the target body’s rotation rate, Shape-from-Silhouette for reconstructing the 3D shape and estimating its rotation pole, and feature tracking tailored to Small-Body images for estimating relative navigation parameters. We used the Mission Analysis, Operations, and Navigation Toolkit Environment (MONTE) developed by the Jet Propulsion Laboratory to evaluate the feasibility of this multi-phase navigation strategy using simulated images of an approach trajectory. We used the Rosetta mission data to generate photorealistic images to characterise the performance of this approach. This work is based on the assumptions that the spacecraft attitude is known, the body is a principal-axis rotator, a-priori estimates of ephemerides and scale are available, and the body is observed from a zero sun phase only during initial approach. Preliminary results show orbit determination performance that is on par with the human navigation from the Rosetta mission; albeit with a 1% bias in spacecraft-target radial distance estimate. The bias error is likely due to the robustness and accuracy of the visual tracking under dynamic lighting conditions and per- spective changes, which decrease accuracy.

Villa, Jacopo↗

NASA NTRS1976

Bayes estimation on parameters of the single-class classifier

Normal procedures used for designing a Bayes classifier to classify wheat as the major crop of interest require not only training samples of wheat but also those of nonwheat. Therefore, ground truth must be available for the class of interest plus all confusion classes. The single-class Bayes classifier classifies data into the class of interest or the class 'other' but requires training samples only from the class of interest. This paper will present a procedure for Bayes estimation on the mean vector, covariance matrix, and a priori probability of the single-class classifier using labeled samples from the class of interest and unlabeled samples drawn from the mixture density function.

Lin, G. C.↗

NASA NTRS1999

Uncertainty Analysis of Inertial Model Attitude Sensor Calibration and Application with a Recommended New Calibration Method

Statistical tools, previously developed for nonlinear least-squares estimation of multivariate sensor calibration parameters and the associated calibration uncertainty analysis, have been applied to single- and multiple-axis inertial model attitude sensors used in wind tunnel testing to measure angle of attack and roll angle. The analysis provides confidence and prediction intervals of calibrated sensor measurement uncertainty as functions of applied input pitch and roll angles. A comparative performance study of various experimental designs for inertial sensor calibration is presented along with corroborating experimental data. The importance of replicated calibrations over extended time periods has been emphasized; replication provides independent estimates of calibration precision and bias uncertainties, statistical tests for calibration or modeling bias uncertainty, and statistical tests for sensor parameter drift over time. A set of recommendations for a new standardized model attitude sensor calibration method and usage procedures is included. The statistical information provided by these procedures is necessary for the uncertainty analysis of aerospace test results now required by users of industrial wind tunnel test facilities.

Tripp, John S.↗

NASA NTRS1997

Analysis of Particle Image Velocimetry (PIV) Data for Acoustic Velocity Measurements

Acoustic velocity measurements were taken using Particle Image Velocimetry (PIV) in a Normal Incidence Tube configuration at various frequency, phase, and amplitude levels. This report presents the results of the PIV analysis and data reduction portions of the test and details the processing that was done. Estimates of lower measurement sensitivity levels were determined based on PIV image quality, correlation, and noise level parameters used in the test. Comparison of measurements with linear acoustic theory are presented. The onset of nonlinear, harmonic frequency acoustic levels were also studied for various decibel and frequency levels ranging from 90 to 132 dB and 500 to 3000 Hz, respectively.

Blackshire, James L.↗

NASA NTRS2012

Method and apparatus for autonomous, in-receiver prediction of GNSS ephemerides

Methods and apparatus for autonomous in-receiver prediction of orbit and clock states of Global Navigation Satellite Systems (GNSS) are described. Only the GNSS broadcast message is used, without need for periodic externally-communicated information. Earth orientation information is extracted from the GNSS broadcast ephemeris. With the accurate estimation of the Earth orientation parameters it is possible to propagate the best-fit GNSS orbits forward in time in an inertial reference frame. Using the estimated Earth orientation parameters, the predicted orbits are then transformed into Earth-Centered-Earth-Fixed (ECEF) coordinates to be used to assist the GNSS receiver in the acquisition of the signals. GNSS satellite clock states are also extracted from the broadcast ephemeris and a parameterized model of clock behavior is fit to that data. The estimated modeled clocks are then propagated forward in time to enable, together with the predicted orbits, quicker GNSS signal acquisition.

Bar-Sever, Yoaz E.↗