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All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Field Evaluations of Sampling, Interviewing, and Flight Tracking of NASA's Low Boom Flight Demonstrator Aircraft

The first year’s effort identified sampling and interviewing as the principal risks to assessment of prompt reactions to overflights producing low-amplitude sonic booms. It also 1) established the utility of geo-information system-based route planning for LBFD flight missions, 2) developed and demonstrated a prototype of a geographically-distributed, Internet-enabled instrumentation system capable of wide-area tracking of LBFD aircraft in near-real time. The latter system permits synchronizing the conduct of interviews in multiple overflown communities with arrival times of shock waves at interviewing sites; and of measuring, archiving, and processing their acoustic signatures. Means were also recommended for constructing representative, telephone-based samples of eligible respondents living in households within carpet boom corridors adjacent to LBFD flight tracks, and for conducting interviews with cross-sectional (independent) samples of such respondents about their prompt reactions to exposure to low-amplitude sonic booms. A detailed study design was prepared and accepted by NASA for a set of single-contact attempt telephone interviews with a nationally representative sample of households. The study design focused on testing automated and live agent interview completion rates obtainable without callbacks. A minimal (two monitoring station) version of the aircraft tracking system was built and installed near a civil airport in a successful demonstration of the system’s ability to detect and track aircraft movements. The field exercise also demonstrated the ability of the system to capture the acoustic emissions of departing aircraft, and to serve aircraft position and sound level information to remote, geographically-distributed analysts in near-real time. Upon approval of OMB and IRB of the detailed study plan, a stratified, nationally representative sample of landline and wireless telephone-subscribing households was constructed. A total of 12,734 telephone interview contact attempts of the sort required by a straightforward cross-sectional study design were then made. These contact attempts demonstrated the impracticality of conducting a time-critical, cross-sectional study of prompt community response to low-amplitude sonic booms by means of “independent” (single contact attempt per respondent for each LBFD flight mission) telephone samples of respondents. The observed interview completion rates for these single telephone contact attempts were so low (~ 1% to 3% for automated and live agent interviews, respectively) that: 1) the representativeness of collected opinions would be susceptible to intuitive challenge as inadequate, even absent conclusive evidence of non-representativeness. Refuting challenges to representativeness would have to demonstrate that the composition of the actual sample did not differ from that of the target population, a task that is tantamount to proving a negative; 2) the information required to refute allegations of non-representativeness would require a questionnaire considerably lengthier than that required simply to determine the prevalence of boom-induced startle and annoyance. Such a questionnaire would have to inquire about potentially sensitive and intrusive matters, including respondents’ age, gender, education, employment, home ownership, income, ethnicity, family size, and other demographic factors; and 3) unreasonable numbers of attempts would be required to re-contact households with unsuccessful initial contact attempts, given the limited time available for doing so. For example, if about 500 completed interviews were desired in a supersonically overflown community, approximately 50,000 automated interview attempts would have to be made within ten to fifteen minutes of each LBFD overflight. Such large numbers of contact attempts could well exceed the numbers of households available for interview in areas of similar boom exposure levels in some communities near LBFD flight tracks. Such large numbers of interviews could be cost-effectively undertaken only by means of automated (i.e., outgoing interactive voice response) interviewing, a data collection method ill-suited for complex and sensitive questionnaire items. The infeasibility of independent sampling for evaluating prompt responses to LBFD overflights in a cross-sectional study is due in large part to simple non-response: that is, potential respondents – particularly those contacted on wireless telephones – refusing to answer calls with unfamiliar caller IDs. It is also due in part, however, to 1) the lack of time to attempt to contact the same respondent more than once within a few minutes after the arrival of a shock wave at the respondent’s location; and 2) the need to place calls during weekday/daytime hours, when response rates are notably lower than during evenings and weekends. Despite the poor interview completion rates achieved under the above constraints, cross sectional assessments of delayed reactions to LBFD overflights could still be feasible, if multiple attempts could be made to contact respondents during evening and weekend time periods, over extended time periods. Detailed plans for a longitudinal (panel) sample were developed as an alternative to a cross sectional sample design.

Fidell, Sanford↗
NASA NTRSDate not supplied

Visualization and 3D Mesh Generation for ASSEMBLERS Range of Motion

In an effort to create a base and foundation for ASSEMBLERS with an informed layout, data representing the range of motion of varying heights of Stewart platforms were analyzed. 3D shapes were generated first to be approximately representative of these data in the form of rotationally symmetric shells, making use of 2D alpha shapes to create a border that did not account for asymmetry inherent in the true range of motion. Further work was performed to generate mesh files more fully representative of reach, creating 3D alpha shapes based directly on point clouds generated from uniformly random platform positions. These shapes were initially not representative of the entire range of motion of a platform stack due to the low likelihood of the most extreme positions being added to a given point cloud but were more representative of the asymmetry inherent in the possible positions of a Stewart platform as they no longer relied on a single 2D contour. The same algorithm for generating 3D alpha shapes was then applied to point clouds designed to represent extreme positions, generating larger smooth shells with six clear planes of symmetry. All shells were converted to STLs to aid in further modeling of range of motion for base layouts and in visualizing reachable area for varying stack heights, successfully creating closed shells representative of typical and extreme positions for platform stacks of varying heights.

Jonah DeGuire Vanke↗
DOE OSTI2022

Multi-scan computed tomography defect detectability

Systems and methods for representing internal defects of an object to determine defect detectability using a multi-scan computed tomography (CT) approach are disclosed. A defect-free object may be scanned using a CT machine. In one or more separate scans, phantom defects may be imaged and the resulting projections combined and reconstructed to represent internal defects. The air-normalized intensities of the object and the phantom defect may be used to represent voids and inclusions. Subtraction of materials may be represented by the quotient of the air-normalized intensities thereof, and the addition of materials may be represented by the product of the air-normalized intensities thereof. A void may be represented by subtracting a phantom defect scan from the object scan. An inclusion may be represented by creating a void, scanning an additional phantom defect, and adding the additional phantom defect in the volume created by the void.

Schiefelbein, Bryan E.↗
DOE OSTI2020

A Comparison of Groundwater Sampling Technologies, Including Passive Diffusion Sampling, for Radionuclide Contamination - 20205

Using traditional high-flow purge methods for long-term water quality monitoring of deep groundwater wells can be expensive, affect contaminant migration, and produce excessive volumes of discharge water that can be difficult to manage. The use of low-flow pumping methods and depth discrete bailers (DDBs) can reduce the cost of sampling deep groundwater wells. In general, using different pumping methods to obtain reproducible and representative groundwater can be challenging. Passive diffusion samplers (PDSs) have successfully been used in long-term monitoring for volatile organic compounds, major ions, and trace-elements, but application has been limited for stable and radioactive isotopes. Beginning in 2018, the United States Geological Survey (USGS) conducted three sampling events to test the ability of PDSs and DDBs to obtain reproducible and representative groundwater samples. The sampled well is completed in a regional, permeable carbonate aquifer and is one in a set of wells that have historically been used for tritium tracer testing. All samples were obtained at 180 m (590 ft) below land surface (bls) in a 13.97 cm (5.5 inch) uncased well that has a total depth of 202 m (662 ft) bls. The first sampling event deployed a regenerated cellulose dialysis membrane (RCDM) PDS for 14 days with deionized water as the blank. The second sampling event deployed a RCDM for 27 days also with deionized water as the blank. The third sampling event deployed a Dual Membrane (DM) PDS for 65 days using a blank of tritium-dead carbonate water. The DM PDS was used to assess the effect of longer term deployment on tritium concentrations and address whether or not the PDSs reached equilibrium with ambient groundwater. The day after each of the three passive samplers were retrieved a DDB was used to obtain discrete non-integrated groundwater samples. For each DDB sampling day, the bailer was lowered into the well 10 consecutive times to determine if the water chemistry changed from the first to the last bailed sample. Quality assurance samples including blanks and duplicates were obtained during all three sampling events. All blank waters had tritium concentrations less than 21±33 pCi/L. Major ion (e.g. calcium, chloride, sodium, and sulfate) results were compared between all samples obtained with RCDM and DDB. Major ion concentrations showed a coefficient of variation of less than 6% between all RCDM and DDB samples; however, the coefficient of variation between the different deployment times and the two different methods for trace-element concentrations was much larger, particularly for manganese (82%), lead (41%), and zinc (33%). Stable isotope values were compared between the RCDM and DDB samples. The DDB sample results all fell within analytical uncertainty and were considered representative of the formation groundwater. The stable isotope values from the RCDM samples indicated that a longer deployment time was necessary to gain equilibrium and to obtain representative groundwater samples. Tritium results from groundwater samples obtained from the RCDM, DM, and DDB indicate that groundwaters obtained with PDSs produced tritium concentrations 2 to 3 times higher (between 1,426 and 3,060±87 pCi/L) than groundwaters obtained with a DDB (479 to 1,219±51 pCi/L). The longer the passive diffusion samplers were deployed, the higher the tritium concentration, suggesting that equilibrium with tritium was not reached within a 27-day deployment. DDB samples showed tritium results declining from the first to the last bailed sample for all three sampling events. This research suggests that tritium results from groundwater samples obtained from PDSs are more reproducible than samples obtained from DDBs. Also, PDSs likely do not accumulate isotopes of water but rather equilibrate with the ambient groundwater. On the other hand, both PDSs and DDBs were able to provide representative groundwater samples for major ions and have the potential to produce representative groundwater samples for stable isotopes of water (δD and δ{sup 18}O). Utilizing the most effective method for sampling groundwater is important for long-term groundwater monitoring. Quantifying the ability of passive diffusion groundwater samplers to obtain representative radioactive chemistry samples will help determine if these methods can be a useful alternative to pumping and purging wells for long-term monitoring. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Improving representation of convective transport for scale‐aware parameterization: 2. Analysis of cloud‐resolving model simulations

Abstract Following Part I, in which 3‐D cloud‐resolving model (CRM) simulations of a squall line and mesoscale convective complex in the midlatitude continental and the tropical regions are conducted and evaluated, we examine the scale dependence of eddy transport of water vapor, evaluate different eddy transport formulations, and improve the representation of convective transport across all scales by proposing a new formulation that more accurately represents the CRM‐calculated eddy flux. CRM results show that there are strong grid‐spacing dependencies of updraft and downdraft fractions regardless of altitudes, cloud life stage, and geographical location. As for the eddy transport of water vapor, updraft eddy flux is a major contributor to total eddy flux in the lower and middle troposphere. However, downdraft eddy transport can be as large as updraft eddy transport in the lower atmosphere especially at the mature stage of midlatitude continental convection. We show that the single‐updraft approach significantly underestimates updraft eddy transport of water vapor because it fails to account for the large internal variability of updrafts, while a single downdraft represents the downdraft eddy transport of water vapor well. We find that using as few as three updrafts can account for the internal variability of updrafts well. Based on the evaluation with the CRM simulated data, we recommend a simplified eddy transport formulation that considers three updrafts and one downdraft. Such formulation is similar to the conventional one but much more accurately represents CRM‐simulated eddy flux across all grid scales.

Liu, Yi‐Chin↗
DOE OSTI2016

Toward more realistic projections of soil carbon dynamics by Earth system models

Soil carbon (C) is a critical component of Earth system models (ESMs), and its diverse representations are a major source of the large spread across models in the terrestrial C sink from the third to fifth assessment reports of the Intergovernmental Panel on Climate Change (IPCC). Improving soil C projections is of a high priority for Earth system modeling in the future IPCC and other assessments. To achieve this goal, we suggest that (1) model structures should reflect real-world processes, (2) parameters should be calibrated to match model outputs with observations, and (3) external forcing variables should accurately prescribe the environmental conditions that soils experience. First, most soil C cycle models simulate C input from litter production and C release through decomposition. The latter process has traditionally been represented by first-order decay functions, regulated primarily by temperature, moisture, litter quality, and soil texture. While this formulation well captures macroscopic soil organic C (SOC) dynamics, better understanding is needed of their underlying mechanisms as related to microbial processes, depth-dependent environmental controls, and other processes that strongly affect soil C dynamics. Second, incomplete use of observations in model parameterization is a major cause of bias in soil C projections from ESMs. Optimal parameter calibration with both pool-and flux-based data sets through data assimilation is among the highest priorities for near-term research to reduce biases among ESMs. Third, external variables are represented inconsistently among ESMs, leading to differences in modeled soil C dynamics. Furthermore, we recommend the implementation of traceability analyses to identify how external variables and model parameterizations influence SOC dynamics in different ESMs. Overall, projections of the terrestrial C sink can be substantially improved when reliable data sets are available to select the most representative model structure, constrain parameters, and prescribe forcing fields.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Modeling soot formation from solid complex fuels

A detailed model is proposed for predicting soot formation from complex solid fuels. The proposed model resolves two particle size distributions, one for soot precursors and another for soot particles. The precursor size distribution is represented with a sectional approach while the soot particle-size distribution is represented with the method of moments and an interpolative closure method is used to resolve fractional methods. Based on established mechanisms, this model includes submodels for precursor coagulation, growth, and consumption, as well as soot nucleation, surface growth, agglomeration, and consumption. The model is validated with comparisons to experimental data for two systems: coal combustion over a laminar flat-flame burner and biomass gasification. Results are presented for soot yield for three coals at three temperatures each, and for soot yield from three types of biomass at two temperatures each. These results represent a wide range of fuels and varying combustion environments, demonstrating the broad applicability of the model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A new method for wind speed forecasting based on copula theory

Highlights: • A copula method is developed to determine the representative wind speed in wind farm. • The method proposed can determine the joint distribution without assuming the variables to be independent. • The representative wind speed obtained by the conditional distribution is more reasonably. How to determine representative wind speed is crucial in wind resource assessment. Accurate wind resource assessments are important to wind farms development. Linear regressions are usually used to obtain the representative wind speed. However, terrain flexibility of wind farm and long distance between wind speed sites often lead to low correlation. In this study, copula method is used to determine the representative year's wind speed in wind farm by interpreting the interaction of the local wind farm and the meteorological station. The result shows that the method proposed here can not only determine the relationship between the local anemometric tower and nearby meteorological station through Kendall's tau, but also determine the joint distribution without assuming the variables to be independent. Moreover, the representative wind data can be obtained by the conditional distribution much more reasonably. We hope this study could provide scientific reference for accurate wind resource assessments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hydrogen Bonding Inside Anionic Polymeric Brush Layer: Machine Learning-Driven Exploration of the Relative Roles of the Polymer Steric Effect, Charging, and Type of Screening Counterions

This paper employs a combination of all-atom molecular dynamics (MD) simulations and unsupervised machine learning (ML) for studying the water-water hydrogen bonds (HBs) inside the anionic poly-acrylic acid (PAA) brushes modeled using all-atom MD simulations. PAA brush layer with different charge fraction (f), namely f=0, f=0.25, and f=1, is considered. Water-water interactions, both inside and outside the brush layer, are represented through distinct clusters of tupules of variables representing distances associated with the interacting water molecules. While clusters representing the HBs are present for water inside and outside the brushes, several clusters representing the long-range water-water interactions are missing for the water molecules inside the highly charged (f=1) PAA brushes. More importantly, inside highly charged brushes, the edge of the clusters representing the water-water HBs is progressively shortened, as compared to that in the bulk. Both these results stem from the presence of the PAA brushes imparting the steric effect and the charge effect, or the effect associated with enhanced interactions of water molecules with PE charges and counterions, thereby disrupting the water connectivity. This water-charged-species interaction also increases the water-water HB angle, i.e., makes the water-water HBs less stable inside the highly charged PAA brush layer. The narrowing of the clusters representing the HBs and the alteration of the angle characterizing the HBs confirm that the conditions defining the water-water HBs change inside the PAA brush layer as a function of the charges on the PAA brush layer. Furthermore, we show that the use of the generic definition of HBs, as compared to using our simulation-motivated modified definition of water-water HBs, overpredict the number of water-water HBs inside the PAA brush layer. Finally, we employ this all-atom-MD-ML framework to quantify the effect of other types of screening counterions (Li + , Ca 2+ , and Y 3+ ions) in determining the water-water interactions and water-water HB properties inside the PAA brush layer. Furthermore, the findings of the present study, confirming the weakening of water-water HBs inside the PAA brush layer, points to the possibility that the water molecules will be more available for hydrating the brush layer and counterions, thereby leading to a more pronounced wetting of the PAA brush layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

INVESTIGATING BROADBAND VARIABILITY OF THE TeV BLAZAR 1ES 1959+650

We summarize broadband observations of the TeV-emitting blazar 1ES 1959+650, including optical R-band observations by the robotic telescopes Super-LOTIS and iTelescope, UV observations by Swift Ultraviolet and Optical Telescope, X-ray observations by the Swift X-ray Telescope, high-energy gamma-ray observations with the Fermi Large Area Telescope, and very-high-energy (VHE) gamma-ray observations by VERITAS above 315 GeV, all taken between 2012 April 17 and 2012 June 1 (MJD 56034 and 56079). The contemporaneous variability of the broadband spectral energy distribution is explored in the context of a simple synchrotron self Compton (SSC) model. In the SSC emission scenario, we find that the parameters required to represent the high state are significantly different than those in the low state. Motivated by possible evidence of gas in the vicinity of the blazar, we also investigate a reflected emission model to describe the observed variability pattern. This model assumes that the non-thermal emission from the jet is reflected by a nearby cloud of gas, allowing the reflected emission to re-enter the blob and produce an elevated gamma-ray state with no simultaneous elevated synchrotron flux. The model applied here, although not required to explain the observed variability pattern, represents one possible scenario which can describe the observations. As applied to an elevated VHE state of 66% of the Crab Nebula flux, observed on a single night during the observation period, the reflected emission scenario does not support a purely leptonic non-thermal emission mechanism. The reflected emission model does, however, predict a reflected photon field with sufficient energy to enable elevated gamma-ray emission via pion production with protons of energies between 10 and 100 TeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Informing nuclear physics via machine learning methods with differential and integral experiments

Information from differential nuclear-physics experiments and theory is often too uncertain to accurately define nuclear-physics observables such as cross sections or energy spectra. Integral experimental data, representing the applications of these observables, are often more precise but depend simultaneously on too many of them to unambiguously identify issues in the observable with human expert analysis alone. Here, we explore how we can leverage physics knowledge gained from differential experimental data, nuclear theory, integral experiments, and neutron-transport calculations to better understand nuclear-physics observables in the context of the application area represented by integral experiments. We support this task with machine-learning methods to discern trends in a large amount of convoluted data. Differential and integral information was used in an analysis augmented by the random forest and the Shapley additive explanations metric. We chose as an application area one that is represented by criticality measurements and pulsed-sphere neutron-leakage spectra. We show one representative example ( 241 Pu fission observables) where the combination of differential and integral information allowed to resolve issues in data representing these observables. As a starting point, the machine learning (ML) algorithms highlighted several observables as leading potentially to bias in simulating integral experiments. Differential information, paired with sensitivity to integral quantities, allowed us then to pinpoint one specific observable ( 241 Pu fission cross section) as the main driver of bias. The comparison to integral experiments, on the other hand, allowed us to indicate a likely reliable experiment among several discrepant ones for this observables. In other cases (e.g., 239 Pu observables), we were not able to resolve the confounding introduced by integral experiments but instead highlighted the need for targeted new experiments and theory developments to better constrain the nuclear-physics space for the application area represented by integral experiments. We were able to combine information from differential experimental data, nuclear-physics theory, integral experiments, and neutron-transport simulations of the latter experiments with the help of the random forest algorithm and expert judgment. This combination of knowledge allows to improve our description of nuclear-physics observables as applied to a particular application area.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

A Sparse Tableau Formulation for Node-Breaker Representations in Security-Constrained Optimal Power Flow

Realistic representations of contingencies in AC optimal power flow (ACOPF) often challenge traditional bus-branch network models. Derived from nodal analysis, such approaches represent network constraints in terms of the familiar bus admittance matrix, Ybus. A fixed Ybus is unable to represent common circuit breaker actions such as bus splitting. Work-arounds for Ybus-based analysis typically rely on topology processing, switching between different Ybus matrices depending on breaker settings. In this paper, we propose a very general node-breaker approach, employing multi-port element models and using a sparse tableau formulation (STF) for network constraints. Instead of treating breaker action as altering network topology, and hence changing the structure of Kirchhoff’s voltage law (KVL) and Kirchhoff’s current law (KCL) equations, this approach represents a breaker’s position as impacting only constraints associated with a single component, thereby maintaining fixed structure in the KVL and KCL constraints. While larger numbers of variables are required, STF proves sparser than Ybus formulations. Numerical case studies herein demonstrate that STF provides computational efficiency comparable to a Ybus-based ACOPF at the scale of several hundred buses, and lower computational cost in an example of over one thousand buses.

Park, Byungkwon (ORCID:000000033189816X)↗
DOE OSTI2015

A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications

A mixture of n-dodecane and m-xylene is investigated as a diesel fuel surrogate for compression ignition engine applications. Compared to neat n-dodecane, this binary mixture is more representative of diesel fuel because it contains an alkyl-benzene which represents an important chemical class present in diesel fuels. A detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining a previously developed n-dodecane mechanism with a recently developed mechanism for xylenes. The xylene mechanism is shown to reproduce experimental ignition data from a rapid compression machine and shock tube, speciation data from the jet stirred reactor and flame speed data. This combined mechanism was validated by comparing predictions from the model with experimental data for ignition in shock tubes and for reactivity in a flow reactor. The combined mechanism, consisting of 2885 species and 11754 reactions, was reduced to a skeletal mechanism consisting 163 species and 887 reactions for 3D diesel engine simulations. The mechanism reduction was performed using directed relation graph (DRG) with expert knowledge (DRG-X) and DRG-aided sensitivity analysis (DRGASA) at a fixed fuel composition of 77% of n-dodecane and 23% m-xylene by volume. The sample space for the reduction covered pressure of 1 – 80 bar, equivalence ratio of 0.5 – 2.0, and initial temperature of 700 – 1600 K for ignition. The skeletal mechanism was compared with the detailed mechanism for ignition and flow reactor predictions. Finally, the skeletal mechanism was validated against a spray flame dataset under diesel engine conditions documented on the Engine Combustion Network (ECN) website. These multidimensional simulations were performed using a Representative Interactive Flame (RIF) turbulent combustion model. In conclusion, encouraging results were obtained compared to the experiments with regards to the predictions of ignition delay and lift-off length at different ambient temperatures.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2013

Gap Assessment (FY 13 Update)

To help guide its future data collection efforts, The DOE GTO funded a data gap analysis in FY2012 to identify high potential hydrothermal areas where critical data are needed. This analysis was updated in FY2013 and the resulting datasets are represented by this metadata. The original process was published in FY 2012 and is available here: https://pangea.stanford.edu/ERE/db/GeoConf/papers/SGW/2013/Esposito.pdf Though there are many types of data that can be used for hydrothermal exploration, five types of exploration data were targeted for this analysis. These data types were selected for their regional reconnaissance potential, and include many of the primary exploration techniques currently used by the geothermal industry. The data types include: 1. well data 2. geologic maps 3. fault maps 4. geochemistry data 5. geophysical data To determine data coverage, metadata for exploration data (including data type, data status, and coverage information) were collected and catalogued from nodes on the National Geothermal Data System (NGDS). It is the intention of this analysis that the data be updated from this source in a semi-automated fashion as new datasets are added to the NGDS nodes. In addition to this upload, an online tool was developed to allow all geothermal data providers to access this assessment and to directly add metadata themselves and view the results of the analysis via maps of data coverage in Geothermal Prospector (http://maps.nrel.gov/gt_prospector). A grid of the contiguous U.S. was created with 88,000 10-km by 10-km grid cells, and each cell was populated with the status of data availability corresponding to the five data types. Using these five data coverage maps and the USGS Resource Potential Map, sites were identified for future data collection efforts. These sites signify both that the USGS has indicated high favorability of occurrence of geothermal resources and that data gaps exist. The uploaded data are contained in two data files for each data category. The first file contains the grid and is in the SHP file format (shape file.) Each populated grid cell represents a 10k area within which data is known to exist. The second file is a CSV (comma separated value) file that contains all of the individual layers that intersected with the grid. This CSV can be joined with the map to retrieve a list of datasets that are available at any given site. The attributes in the CSV include: 1. grid_id : The id of the grid cell that the data intersects with 2. title: This represents the name of the WFS service that intersected with this grid cell 3. abstract: This represents the description of the WFS service that intersected with this grid cell 4. gap_type: This represents the category of data availability that these data fall within. As the current processing is pulling data from NGDS, this category universally represents data that are available in the NGDS and are ready for acquisition for analytic purposes. 5. proprietary_type: Whether the data are considered proprietary 6. service_type: The type of service 7. base_url: The service URL

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

MBARI-WEC September and October 2022 Field Data

This data is needed to simulate a model of the MBARI-WEC (Monterey Bay Aquarium Research Institute, Wave Energy Converter device) in a simulation environment (e.g. Gazebo) for 56 observation dates in the time between September and October 2022, and to compare the simulation outputs to the corresponding field data of the physical MBARI-WEC. There were 50 observations chosen in Sept and 6 observations in Oct. To help understand terms below, a summary of the system can be found at the github link in the downloads section below. The Gazebo MBARI-WEC model is also provided, should users wish to simulate using this platform. There are 4 *mat files included. ................................................................................................................................................................................................................................... Spectrum and Simulation Inputs: September2022_spectrum_siminputs.mat and October2022_spectrum_siminputs.mat has data needed for simulation inputs in table format. These include the ocean spectrum for an observation and operating parameters of the MBARI-WEC during that observation. They are organized as rows representing an observation and columns representing data. For example, for the September *mat there are 50 rows. The first 7 columns are Datetime, sig_waveheight, peak_period, mean_period, heaveconedoor_status, pistonpos_mean, and scale_factor: - Datetime is the date and time the observation occurred in PST - sig_waveheight is the significant wave height of the ocean spectrum during that observation in meters - peak_period is the peak period of the ocean spectrum during that observation in seconds - mean_period is the mean period of the ocean spectrum during that observation in seconds - heaveconedoor_status is the status of the heave cone doors where 0 represents the doors are open and 1 represents they are closed - pistonpos_mean is the mean position of the PTO ram (piston) in meters - scale_factor is an additional factor of 0.5 --1.4 applied to a default damping relationship The next columns are data needed to represent the ocean spectrum. First are the frequencies [Hz] labeled as "f0-f38", then the variance density [m2/Hz] labeled as "vardens0-vardens38". October2022_spectrum_siminputs.mat follows as a similar format as above, but includes a larger amount of ocean spectrum frequencies and variance density elements. ................................................................................................................................................................................................................................... Field data: The field data is found in MBARIWEC_septdata.mat and MBARIWEC_octdata.mat for the observations of September and October, respectively. These contain data in a struct format. The struct contains the following fields for each observation: PC_BattCurr, PC_LoadCurr, PC_RPM, PC_Voltage, SC_Range, SC_Velocity, DateTime, where: - PC_BattCurr is the current flowing to or from the onboard batteries in Amps - PC_LoadCurr is the current flowing to the load dump in Amps - PC_RPM is the electric/hydraulic motor shaft speed (directly coupled) in RPM - PC_Voltage is the bus voltage at the power converter in Volts - SC_Range is the PTO ram (piston) position in meters where 0 is fully retracted and 2.03 is fully extended - SC_Velocity is the PTO ram (piston) velocity in meters/sec - DateTime is the date and time of the sampled field data in each observation in PST - Electric Power is equal to: PC_Voltage*(PC_BattCurr + PC_LoadCurr) in Watts For example, upon loading MBARIWEC_octdata.mat, the aforementioned fields would be loaded, each with {6x1} cells for the 6 observations chosen in October. Within the first cell of e.g. SC_Range would be sampled data representing the field data of the MBARIWEC PTO piston position for say, one hour, of the first October observation. The corresponding field DateTime would...

16 TIDAL AND WAVE POWER↗
DOE OSTI2019

Physical and Thermodynamic Properties of Secondary Organic Materials for Modeling (Final Technical Report)

Secondary organic material constitutes more than 50% of the submicron component of atmospheric aerosol particles. This organic material is produced by oxidation of biogenic and anthropogenic volatile organic compounds. The physicochemical properties of these aerosol particles and their variability with atmospheric conditions influence many climate-relevant endpoints, such as rates of chemical reactions, production of secondary organic material, number-diameter distributions, direct radiative forcing, and cloud condensation nuclei. The results of the project research highlight a nonlabile-to-labile transition for material representative of anthropogenic secondary organic particulate matter at a threshold humidity range. This behavior differs markedly from materials representing biogenic aerosol sources, which lack such a transition. More specifically, the mass lability of atmospheric organic particulate matter, meaning its tendency to evaporate, is an important property in the mechanisms governing the climate effects. This property is affected by both the volatility and the molecular diffusivity of the constituent organic species. Via a series of laboratory experiments, the project directly determined the mass labilities of films of secondary organic material representative of anthropogenic and biogenic organic particulate matter (PM). The evaporation rates for anthropogenic organic PM increased above a threshold relative humidity (RH) between 20% and 30%, indicating rapid partitioning above a transition RH. Below the threshold, the characteristic time for equilibration was estimated at up to 1 week for a typically sized particle. In contrast, for films representing biogenic PM, no RH threshold was observed, suggesting equilibrium partitioning is rapidly obtained for all RHs. The effective molecular diffusivity for the biogenic case was at least 1000 times greater than that of the anthropogenic case. The results allow for an improved representation of anthropogenic and biogenic secondary organic aerosol formation in climate models. The results of the project also provide new measurements on how organic aerosol particles take up water and serve as cloud condensation nuclei, thus explaining the observed complex thermodynamic behaviors using a simple thermodynamic model. The project results reconciled the discrepancy between sub-saturation hygroscopicity and super-saturation cloud condensation nuclei activity for organic aerosol particles. The key to the explanation is the phase separation between hydrophobic and hydrophilic organics and the induced surface tension lowering. The results are essential for the assessment of the aerosol indirect effect on climate. In more detail, hygroscopic growth and cloud condensation nuclei activation are key processes for accurately modeling the climate impacts of organic particulate matter. Nevertheless, the microphysical mechanisms of these processes remain unresolved. The project results focus on complex thermodynamic behaviors, including humidity-dependent hygroscopicity, diameter-dependent cloud condensation nuclei activity, and liquid-liquid phase separation in the laboratory for biogenically derived secondary organic material representative of similar atmospheric organic particulate matter. These behaviors can be explained by the non-ideal mixing of water with hydrophobic and hydrophilic organic components. The non-ideality-driven liquid-liquid phase separation further enhances water uptake and induces lowered surface tension at high relative humidity, which results in a lower barrier to cloud condensation nuclei activation. By comparison, secondary organic material representing anthropogenic sources does not exhibit complex thermodynamic behavior. The combined results highlight the importance of detailed thermodynamic representations of the hygroscopicity and cloud condensation nuclei activity in models of the Earth’s climate system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Coupling Mechanistically the Convective Motions and Cloud Macrophysics in a Climate Model (Final Technical Report for CM4 Project)

Global climate models fail to adequately represent shallow cumulus conditions. The activities at the University of Texas at Austin focus on deploying advanced statistical approaches to identify linkages between numerical models and observations using the E3SM-Single Column Model (SCM) and different ARM campaigns focused on shallow cumulus conditions at SGP. The current version of the SCM uses CLUBB to represent shallow cumulus. The parameterization represents a significant evolution from older generation parameterizations insofar as it contains a number of prognostic equations that keep track of the turbulent nature of the environment that are carried forward in time. The parameters associated with this scheme address the rate at which different prognostic quantities that determine vertical turbulent fluxes of heat and moisture decay with time. The large number of parameters gives the CLUBB scheme a lot of flexibility. The expectation of its developers is that it should represent any shallowly convective environment. The concern among developers and other theorists was not whether it could represent any one environment, but whether a single judicious choice of parameters would allow it to predict the turbulent characteristics of a range of environments. Through several exhaustive studies that made use of Bayesian statistical calibration, tens of thousands of SCM experiments, and ensembles of observations of shallow cumulus at SGP that were also modeled using Large Eddy Simulations (LES), we have only achieved partial success in using CLUBB within SCM to capture important aspects of what has been observed and modeled with LES at SGP. Even as we worked to improve observational tests and make a more scientifically focused attempt at modifying subsets of CLUBB parameters, model performance continues to be lacking in some important respects. In one calibration, we were able to achieve a near perfect match to observed properties of liquid water path, cloud radiative effects, and cloud fraction but with clouds that were trapped within a shallow layer and without the highly turbulent fluxes and vertical extent observed with ARM data and modeled with LES (Figure 1). The conclusion we are reaching is that shallow cumulus conditions are much more challenging to represent than was previously thought. This result is also prompting us to consider some aspects of the experiment design that may be limiting the performance of SCM in this case. The work has garnered the attention of Vincent Larson (CLUBB developer at Univ. Wisconsin – Milwaukee) and model developers Steven Klein and Yunyan Zhang (LLNL) with whom this work and will continue.

58 GEOSCIENCES↗