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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Characterizing the Uncertainty of Measurement of Traceable Isotope Ratios with Bayesian Statistical Techniques

Analytical techniques such as multicollector—inductively coupled plasma—mass spectrometry (MC-ICP-MS) are routinely employed at SRNL, other National Laboratories, and in academia to determine the precise isotopic composition of diverse natural and anthropogenic samples (e.g., rocks and nuclear materials). Quantifying and reporting uncertainty in such analyses, while regularly performed, have a rigorous statistical foundation. The Guide to the Expression of Uncertainty in Measurement 4 (GUM) outlines conventional techniques used to assess such uncertainty. As the accessibility and speed of statistical computing increase, there is a need to modernize conventional techniques. For example, Supplement 1 to the 3rd to the GUM suggests the use of approximation methods as an updated approach to the GUM.

McLarty, Ellis C.↗

Understanding capacity fade in organic redox-flow batteries by combining spectroscopy with statistical inference techniques

Organic redox-active molecules are attractive as redox-flow battery (RFB) reactants because of their low anticipated costs and widely tunable properties. Unfortunately, many lab-scale flow cells experience rapid material degradation (from chemical and electrochemical decay mechanisms) and capacity fade during cycling (>0.1%/day) hindering their commercial deployment. In this work, we combine ultraviolet-visible spectrophotometry and statistical inference techniques to elucidate the Michael attack decay mechanism for 4,5-dihydroxy-1,3-benzenedisulfonic acid (BQDS), a once-promising positive electrolyte reactant for aqueous organic redox-flow batteries. We use Bayesian inference and multivariate curve resolution on the spectroscopic data to derive uncertainty-quantified reaction orders and rates for Michael attack, estimate the spectra of intermediate species and establish a quantitative connection between molecular decay and capacity fade. Our work illustrates the promise of using statistical inference to elucidate chemical and electrochemical mechanisms of capacity fade in organic redox-flow battery together with uncertainty quantification, in flow cell-based electrochemical systems.

25 ENERGY STORAGE↗

Scalability Testing Approach for Internet of Things for Manufacturing SQL and NoSQL Database Latency and Throughput

The proliferation of low-cost sensors and industrial data solutions has continued to push the frontier of manufacturing technology. Machine learning and other advanced statistical techniques stand to provide tremendous advantages in production capabilities, optimization, monitoring, and efficiency. The tremendous volume of data gathered continues to grow, and the methods for storing the data are critical underpinnings for advancing manufacturing technology. This work aims to investigate the ramifications and design tradeoffs within a decoupled architecture of two prominent database management systems (DBMS): sql and NoSQL. A representative comparison is carried out with Amazon Web Services (AWS) DynamoDB and AWS Aurora MySQL. The technologies and accompanying design constraints are investigated, and a side-by-side comparison is carried out through high-fidelity industrial data simulated load tests using metrics from a major US manufacturer. The results support the use of simulated client load testing for comparing the latency of database management systems as a system scales up from the prototype stage into production. As a result of complex query support, MySQL is favored for higher-order insights, while NoSQL can reduce system latency for known access patterns at the expense of integrated query flexibility. Here, by reviewing this work, a manufacturer can observe that the use of high-fidelity load testing can reveal tradeoffs in IoTfM write/ingestion performance in terms of latency that are not observable through prototype-scale testing of commercially available cloud DB solutions.

AWS↗

Profiling overstory survival trends following varying thinning and burning disturbance regimes in a mixed pine-hardwood forest in the US South

Prescribed burning as a silvicultural tool may be effective for achieving various management objectives, yet some practitioners have concerns about inadvertently increasing overstory tree mortality. Using extensive data from a long-term, ongoing study in northcentral Alabama, USA, that systematically applies a variety of thinning and prescribed burning disturbances on mixed pine-hardwood stands, we assess survival trends for different groups of trees. The primary research question is whether more frequent prescribed burns adversely affects overstory survival versus infrequent or no burns; secondary questions explore whether overstory survival trends differ based on thinning level, species group, or size class. Interest is in broad groups of trees, not individual tree survival or mortality; consequently, survival analysis methods are used, including nonparametric Kaplan-Meier (KM) techniques for examining single grouping factors, and parametric accelerated failure time models for analyzing simultaneous effects of multiple covariates. Leveraging relatively recent methodological advances, the statistical techniques are adjusted for interval censored data. KM survival curves showed that more frequent prescribed fires did not result in differing survival trends. Also, trees in unthinned stands had the lowest 14-year survival compared to thinned stands, oaks had the highest survival compared to pines and the others species group, and the smallest size class of overstory trees had the lowest survival. In conclusion, these results support managing transitional mixed pine-hardwoods using thinning and multiple prescribed fires to restore specific species composition and structure.

54 ENVIRONMENTAL SCIENCES↗

Comment on “Five Decades of Observed Daily Precipitation Reveal Longer and More Variable Drought Events Across Much of the Western United States”

Abstract Changes in precipitation patterns with climate change could have important impacts on human and natural systems. Zhang et al. (2021, https://doi.org/10.1029/2020gl092293 ) report trends in daily precipitation patterns over the last five decades in the western United States, focusing on meteorological drought. They report that dry intervals (calculated at the annual or seasonal level) have increased across much of the southwestern U.S., with statistical assessment suggesting the results are statistically robust. However, Zhang et al. (2021, https://doi.org/10.1029/2020gl092293 ) preprocess their annual (or seasonal) averages to compute 5‐year moving window averages before using established statistical techniques for trend analysis that assume independence about some fixed trend. Here we show that the moving window preprocessing violates that independence assumption and inflates the statistical significance of their trend estimates. This raises questions about the robustness of their results. We conclude by discussing the difficulty of adjusting for spatial structure when assessing time trends in a regional context.

54 ENVIRONMENTAL SCIENCES↗

Discovering Dark Matter Clumps and Primordial Particles with Galaxies

Cosmological observations and galaxy dynamics seem to imply that five out of six parts in mass of all matter in the universe is composed of dark matter, which is not accounted for by the Standard Model of particles. The cold dark matter (CDM) paradigm has been extremely successful at describing observations on large-cosmological scale. However, many different dark matter candidates have the same observable effects as CDM on large-length scales. One possible avenue to distinguish between these different models is to look on much smaller-length scales, where usually dark matter models become distinguishable. This research developed the theoretical framework and statistical tools needed to map the detailed distribution of dark matter on subgalactic scales using strong gravitational lensing. A second goal of this research was to build new statistical techniques that efficiently exploit the full power of cosmic-structure data from next-generation surveys. Galaxy clustering on large scales provides significant cosmological information through the power spectrum. Additional information can be gained from higher-order statistics. This research provided new ways to understand the initial conditions of the universe from current and upcoming cosmological surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Probabilistic Hazard Assessment for Tornadoes, Straight-Line Wind, and Extreme Precipitation at the Savannah River Site

Recent data sets for three meteorological phenomena with the potential to inflict damage on SRS facilities – tornadoes, straight-line winds, and heavy precipitation – are analyzed using appropriate statistical techniques to estimate the occurrence probabilities for these events in the future. Summaries of the results for DOE-mandated return periods and comparisons to similar calculations performed in 2013 by Werth et al. (W2013) are given. Using tornado statistics for i) the combined states of Georgia and South Carolina, and ii) a 2⁰ square area surrounding SRS, we calculated the probability per year of any location at SRS being struck by a tornado (the ‘strike’ probability) and the probability that any point will experience winds above set thresholds. The strike probability was calculated to be 7.04E-4 (1 chance in 1420) per year and tornadic wind speeds for DOE mandated return periods of 50,000 years (corresponding to wind design category 3 (WDC-3), and 125,000 years (meeting WDC-4) (USDOE, 2016) were estimated to be 132 mph and 147 mph, respectively. By contrast, default tornado wind speeds taken from ANSI/ANS-2.3-2011 are somewhat higher: 161 mph for return periods of 50,000 years and 173 mph every 125,000 years (ANS, 2011). Although the ANS and the SRS evaluation used the same basic model (Ramsdell and Rishel, 2007), the region defined in ANS 2.3 that encompasses the SRS also includes areas of the Great Plains and lower Midwest, regions with much higher occurrence frequencies of strong tornadoes. The SRS straight-line wind values associated with various return periods were calculated by fitting existing wind data to a GEV1 distribution and extrapolating the values for any return period from the tail of that function. For the DOE mandated return periods, we expect straight-line winds of 117 mph every 2500 years (the required WDC-3 standard) and 125 mph every 6250 years (WDC-4) at any point within the SRS. These values are similar to those from the ANS-2.3-2011 report, which has wind speeds of 125mph and 133 mph for return periods of 2500 years and 6250 years, respectively. For extreme precipitation, we compared the fits of two different theoretical extreme-value distributions and applied the one that fit the data best for each of several accumulation periods. The DOE mandated 6-hr accumulated rainfall for return periods of 10,000 years (corresponding to precipitation design category 3 (PDC-3) and 25,000 years (PDC-4) were estimated as 9.1 inches and 10.1 inches, respectively. For the 24-hr rainfall return periods of 10,000 years and 25,000 years, total rainfall estimates were 12.02 inches and 13.17 inches, respectively, higher than comparable values provided in the W2013 report.

54 ENVIRONMENTAL SCIENCES↗

Quantitative Characterization of Hyper-Local Atmospheric Greenhouse Gas Sources

Atmospheric greenhouse gas (GHG) emissions are often characterized using stationary, tower-based sensors. Ground based sensors reside in the turbulent boundary layer and are subject to intense concentration impulses from hyper-local (<100m) point sources of emissions. These high frequency spikes are often filtered out in broader emission flux studies, losing valuable information about how hyper-local sources influence receptors. In this study, we investigated how empirical atmospheric data can be used to locate and quantify a concurrently measured hyper-local point source in a dense urban setting. An eddy covariance style tower and a low-cost sensor tower were deployed in various locations around an urban, hyper-local CO2/CH4 emissions source (a continuously measured restaurant exhaust vent). A model using different processing and statistical techniques was built to examine the most effective procedures for source isolation, directional location, and emission quantification. Using excess concentrations above a minimum baseline, we identify the source using bivariate polar plots and quantify the relationship between source size, receptor distance, and statistical proxies. Furthermore, we find that varying statistical thresholds allows for identification of less influential sources which are drowned out by larger or closer sources. Finally, we show that large sources can be effectively characterized using low-cost sensors, a valuable outcome informing how networks for monitoring larger areas could be implemented. This work may provide a basis for source identification and monitoring protocols for networks that feature sensors influenced by hyper-local point sources, subject to site-specific assumptions.

54 ENVIRONMENTAL SCIENCES↗

The National Climate Data Base (NCDB): A Bias-Corrected High-Resolution Climate Dataset

Assessing renewable energy resources under future climate scenarios has been highlighted in recent years to analyze and understand potential impacts of future change in renewable generation on the power sector. Solar energy is well-known as the most plentiful among various renewable resources and usually converted to electricity using photovoltaics (PV) technologies, and the global deployment of PV technology has increased rapidly in recent decades. In this study, we develop a statistical technique to downscale the future projection of solar irradiance for PV energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the proposed downscaling method and future extension of this research.

climate data↗

The National Climate Database (NCDB): An Unbiased 100-Year Dataset for PV Modeling

In this study, we develop a statistical technique to downscale the future projection of solar irradiance for photovoltaics (PV) energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the downscaling method, a summary of the 100-year dataset from 2001-2100, and future extension of this research.

bias correction↗

Scaling and merging time-resolved pink-beam diffraction with variational inference

Time-resolved x-ray crystallography (TR-X) at synchrotrons and free electron lasers is a promising technique for recording dynamics of molecules at atomic resolution. While experimental methods for TR-X have proliferated and matured, data analysis is often difficult. Extracting small, time-dependent changes in signal is frequently a bottleneck for practitioners. Recent work demonstrated this challenge can be addressed when merging redundant observations by a statistical technique known as variational inference (VI). However, the variational approach to time-resolved data analysis requires identification of successful hyperparameters in order to optimally extract signal. In this case study, we present a successful application of VI to time-resolved changes in an enzyme, DJ-1, upon mixing with a substrate molecule, methylglyoxal. We present a strategy to extract high signal-to-noise changes in electron density from these data. Furthermore, we conduct an ablation study, in which we systematically remove one hyperparameter at a time to demonstrate the impact of each hyperparameter choice on the success of our model. We expect this case study will serve as a practical example for how others may deploy VI in order to analyze their time-resolved diffraction data.

47 OTHER INSTRUMENTATION↗

Diagnosis of 3D magnetic field and mode composition in MHD turbulence with Y -parameter

ABSTRACT Magnetic fields are crucial in numerous astrophysical processes within the interstellar medium (ISM). However, the detailed determination of magnetic field geometry is notoriously challenging. Based on the modern magnetohydrodynamic (MHD) turbulence theory, we introduce a novel statistical technique, the ‘Y-parameter’, to decipher the magnetic field inclination in the ISM and identify dominant turbulence modes. The Y-parameter, calculated as the ratio of anisotropies of different Stokes parameter combinations, displays contrasting trends with the mean-field inclination angle in Alfvénic and compressible turbulence modes. A Y-parameter value around 1.5 ± 0.5 provide a statistical boundary to determine the dominant MHD turbulence modes. We have discovered specific correlations between the Y-parameter value and the inclination angle that unveil the dominant turbulence mode. This methodology, when applied to future radio polarization surveys such as LOFAR and SKA, promises to significantly enhance our knowledge of 3D magnetic field in the ISM and improve our understanding of interstellar turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

Metabolome patterns identify active dechlorination in bioaugmentation consortium SDC-9™

Ultra-high performance liquid chromatography–high-resolution mass spectrometry (UPHLC–HRMS) is used to discover and monitor single or sets of biomarkers informing about metabolic processes of interest. The technique can detect 1000’s of molecules (i.e., metabolites) in a single instrument run and provide a measurement of the global metabolome, which could be a fingerprint of activity. Despite the power of this approach, technical challenges have hindered the effective use of metabolomics to interrogate microbial communities implicated in the removal of priority contaminants. Herein, our efforts to circumvent these challenges and apply this emerging systems biology technique to microbiomes relevant for contaminant biodegradation will be discussed. Chlorinated ethenes impact many contaminated sites, and detoxification can be achieved by organohalide-respiring bacteria, a process currently assessed by quantitative gene-centric tools (e.g., quantitative PCR). This laboratory study monitored the metabolome of the SDC-9™ bioaugmentation consortium during cis-1,2-dichloroethene (cDCE) conversion to vinyl chloride (VC) and nontoxic ethene. Untargeted metabolomics using an UHPLC-Orbitrap mass spectrometer and performed on SDC-9™ cultures at different stages of the reductive dechlorination process detected ~10,000 spectral features per sample arising from water-soluble molecules with both known and unknown structures. Multivariate statistical techniques including partial least squares-discriminate analysis (PLSDA) identified patterns of measurable spectral features (peak patterns) that correlated with dechlorination (in)activity, and ANOVA analyses identified 18 potential biomarkers for this process. Statistical clustering of samples with these 18 features identified dechlorination activity more reliably than clustering of samples based only on chlorinated ethene concentration and Dhc 16S rRNA gene abundance data, highlighting the potential value of metabolomic workflows as an innovative site assessment and bioremediation monitoring tool.

environmental monitoring↗