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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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DOE OSTI2011

Supersymmetry Without Prejudice at the LHC

The discovery and exploration of Supersymmetry in a model-independent fashion will be a daunting task due to the large number of soft-breaking parameters in the MSSM. In this paper, we explore the capability of the ATLAS detector at the LHC ({radical}s = 14 TeV, 1 fb{sup -1}) to find SUSY within the 19-dimensional pMSSM subspace of the MSSM using their standard transverse missing energy and long-lived particle searches that were essentially designed for mSUGRA. To this end, we employ a set of {approx} 71k previously generated model points in the 19-dimensional parameter space that satisfy all of the existing experimental and theoretical constraints. Employing ATLAS-generated SM backgrounds and following their approach in each of 11 missing energy analyses as closely as possible, we explore all of these 71k model points for a possible SUSY signal. To test our analysis procedure, we first verify that we faithfully reproduce the published ATLAS results for the signal distributions for their benchmark mSUGRA model points. We then show that, requiring all sparticle masses to lie below 1(3) TeV, almost all(two-thirds) of the pMSSM model points are discovered with a significance S > 5 in at least one of these 11 analyses assuming a 50% systematic error on the SM background. If this systematic error can be reduced to only 20% then this parameter space coverage is increased. These results are indicative that the ATLAS SUSY search strategy is robust under a broad class of Supersymmetric models. We then explore in detail the properties of the kinematically accessible model points which remain unobservable by these search analyses in order to ascertain problematic cases which may arise in general SUSY searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Method to simultaneously facilitate all jet physics tasks

Machine learning has become an essential tool in jet physics. Due to their complex, high-dimensional nature, jets can be explored holistically by neural networks in ways that are not possible manually. However, innovations in all areas of jet physics are proceeding in parallel. We show that specially constructed machine learning models trained for a specific jet classification task can improve the accuracy, precision, or speed of all other jet physics tasks. This is demonstrated by training on a particular multiclass generation and classification task and then using the learned representation for different generation and classification tasks, for datasets with a different (full) detector simulation, for jets from a different collision system ($pp$ versus $ep$), for generative models, for likelihood ratio estimation, and for anomaly detection. We consider our omnilearn approach thus as a jet-physics foundation model. It is made publicly available for use in any area where state-of-the-art precision is required for analyses involving jets and their substructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Grey-Box System Identification of Grid-Forming Inverters

This paper demonstrates the use of grey-box system identification methods for simplifying and understanding the nonlinear power dynamics of grid-forming inverters (GFMs). The power and frequency outputs of complex high-order GFM models are fed into system identification software in order to fit them to a predetermined LTI system and learn system parameters such as (synthetic) inertia and droop constants. The same process is then run for a high-order synchronous generator model, and the outputs are fit to the same set of LTI equations. Simulation of a network of GFM inverters with diverse control architecture is also performed for the same process. The intent is threefold: first, to demonstrate the appropriateness of unified LTI models for describing the power and frequency dynamics of individual resources and connected networks, in order to facilitate analysis of larger heterogeneous networked systems; second, to discover the relationship between internal control parameters of GFMs and their externally observed values; and third, to validate that grey-box data-driven system identification techniques can be a valuable tool to discover the values of important parameters in the absence of explicit vendor models.

analytical models↗

DOE OSTI2019

Nondestructive Contact Resistivity Measurements on Solar Cells Using the Circular Transmission Line Method

Not provided.

Energy & Fuels↗

DOE OSTI2019

Modeling Transitions to Connected and Automated Vehicles

Determine how cost, technology, and stakeholder behavior can accelerate or impede CAV adoption and affect energy use, both during transition and at end states with varying CAV use, through development of a semi-quantitative 'CAV scenario generation' model, identifying data gaps needing future research.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2020

The ASHRAE Great Energy Predictor III competition: Overview and results

In late 2019, ASHRAE hosted the Great Energy Predictor III (GEPIII) machine learning competition on the Kaggle platform. This launch marked the third energy prediction competition from ASHRAE and the first since the mid-1990s. In this updated version, the competitors were provided with over 20 million points of training data from 2,380 energy meters collected for 1,448 buildings from 16 sources. This competition’s overall objective was to find the most accurate modeling solutions for the prediction of over 41 million private and public test data points. Furthermore, the competition had 4,370 participants, split across 3,614 teams from 94 countries who submitted 39,403 predictions. In addition to the top five winning workflows, the competitors publicly shared 415 reproducible online machine learning workflow examples (notebooks), including over 40 additional, full solutions. This paper gives a high-level overview of the competition preparation and dataset, competitors and their discussions, machine learning workflows and models generated, winners and their submissions, discussion of lessons learned, and competition outputs and next steps. The most popular and accurate machine learning workflows used large ensembles of mostly gradient boosting tree models, such as LightGBM. Similar to the first predictor competition, preprocessing of the data sets emerged as a key differentiator.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Evaluation of Enhanced Risk Monitors for Use on Advanced Reactors

This study provides an overview of the methodology for integrating time-dependent failure probabilities into nuclear power reactor risk monitors. This prototypic enhanced risk monitor (ERM) methodology was evaluated using a hypothetical probabilistic risk assessment (PRA) model, generated using a simplified design of a liquid-metal-cooled advanced reactor (AR). Component failure data from industry compilation of failures of components similar to those in the simplified AR model were used to initialize the PRA model. Core damage frequency (CDF) over time were computed and analyzed. In addition, a study on alternative risk metrics for ARs was conducted. Risk metrics that quantify the normalized cost of repairs, replacements, or other operations and management (O&M) actions were defined and used, along with an economic model, to compute the likely economic risk of future actions such as deferred maintenance based on the anticipated change in CDF due to current component condition and future anticipated degradation. Such integration of conventional-risk metrics with alternate-risk metrics provides a convenient mechanism for assessing the impact of O&M decisions on safety and economics of the plant. It is expected that, when integrated with supervisory control algorithms, such integrated-risk monitors will provide a mechanism for real-time control decision-making that ensure safety margins are maintained while operating the plant in an economically viable manner.

ECA↗

DOE OSTI2017

dfnWorks, Version 2.0

DFNWorks is a suite of software for generating and solving flow and transport physics on a Discrete Fracture Network (DFN). The suite is composed of three components: DFNGen: Stochastic fracture generation, mesh generation, model setup; DFNFlow: Flow solution using PFLOTRAN or FEHM control volume formulation solver; DFNTrans: Particle tracking transport; DFNGen Algorithm Description: This is a workflow that uses C++ software version for fracture generation, Python scripts written by the authors and the LaGriT software to generate computational mesh. DFNFlow The solution of flow in porous media is accomplished by coupling DFNGen output with the existing software packages FEHM and PFLOTRAN. The DFNWorks workflow involves modules and scripts that translate DFNGen output to formats compatible with FEHM and PFLOTRAN input. FEHM LA-CC-2012-083 PFLOTRAN LA-CC-09-047 LaGriT LA-CC-07-38 DFNTrans Stand-alone particle tracking algorithm that takes FEHM/PFLOTRAN flow solution as output and computes velocity field and advects particles.

Makedonska, Nataliia↗

DOE OSTI2022

Dark Energy Survey Year 3 Results: Measuring the Survey Transfer Function with Balrog

Abstract We describe an updated calibration and diagnostic framework, Balrog , used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) data set. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant “source” galaxies and magnification biases of nearer “lens” galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ∼1–8 mmag, but for a small subset of objects, we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. We discuss approaches to extend the current methodology to capture more aspects of the transfer function and reach full coverage of the survey footprint for future analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2017

dfnWorks, Version 2.0

Makedonska, Nataliia↗

DOE OSTI2018

Using gap-filled MAIAC AOD and WRF-Chem to estimate daily PM 2.5 concentrations at 1 km resolution in the Eastern United States

To link short-term exposures of air pollutants to health outcomes, scientists must use high temporal and spatial resolution estimates of PM 2.5 concentrations. We develop a daily PM 2.5 product at 1 × 1 km 2 spatial resolution across the eastern United States (east of 90° W) with the aid of 1 × 1 km 2 MAIAC aerosol optical depth (AOD) data, 36 × 36 km 2 WRF-Chem output, 1 × 1 km 2 land-use type from the National Land Cover Database, and 0.125° × 0.125° ERA-Interim re-analysis meteorology. A gap-filling technique is applied to MAIAC AOD data to construct robust daily estimates of AOD when the satellite data are missing (e.g., areas obstructed by clouds or snow cover). The input data are incorporated into a multiple-linear regression model trained to surface observations of PM 2.5 from the EPA Air Quality System (AQS) monitoring network. The model generates a high-fidelity estimate (r 2 = 0.75 using a 10-fold random cross-validation) of daily PM 2.5 throughout the eastern United States. Of the inputs to the statistical model, WRF-Chem output (r 2 = 0.66) is the most important contributor to the skill of the model. MAIAC AOD is also a strong contributor (r 2 = 0.52). Daily PM 2.5 output from our statistical model can be easily integrated into county-level epidemiological studies. The novelty of this project is that we are able to simulate PM 2.5 in a computationally efficient manner that is constrained to ground monitors, satellite data, and chemical transport model output at high spatial resolution (1 × 1 km 2 ) without sacrificing the temporal resolution (daily) or spatial coverage (>2,000,000 km 2 ).

47 OTHER INSTRUMENTATION↗

DOE OSTI2010

Learning environment simulator for decision making in severe weather

The Severe Weather Planning Simulator (SWPS), developed by Los Alamos National Laboratory (LANL), is a computer-based learning environment of conditions and response options to potential severe weather conditions at the Macondo Well (MC252) during response and recovery operations. SWPS is a computer aid designed to expose users to uncertain hurricane conditions and allow them to make decisions at a high level about ship deployment and operations and be exposed to potential consequences in personnel and equipment safety and pollution prevention efforts. The goal is not to predict the future but rather to expose decision makers to potential scenarios and the tradeoffs that will need to be considered when making decisions about personnel and ship deployment. Although this work is focused solely on Macondo response operations, it is readily extensible to other recovery operations involving a range of conditions, geographic locations and exploration assets. Documented herein is a brief summary of the results of an initial trial of SWPS with four employees of BP involved with Macondo response operations. SWPS uses system level models to represent ship operations including movements to port under storm threat and the return to operations, ship fragility, personnel movements and vulnerability in storm conditions, pollution prevention results, a hurricane scenario generation model and a decision model. The models are wrapped in an interface enabling users to observe conditions, make decisions on ship and personnel movements and evaluate the results of their actions. A two hour workshop was conducted on August 18 at the BP Westlake offices in Houston to assess a preliminary version of the simulator. The workshop goal was to assess the potential utility of SWPS, evaluate its interface, and function and gather suggestions for further development. Four BP employees - Ed Bracken, Hugh Banon, Earnest Bush, and Troy Endicott - were introduced to the simulator and asked to run through a scenario in a hands-on evaluation of its current and potential utility.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

No Galaxy Left Behind: Measuring the Transfer Function of the Dark Energy Survey with Balrog

In this dissertation, we describe a calibration and diagnostic framework called Balrog which was used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) dataset. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with traditional generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant "source" galaxies and magnification biases of nearer "lens" galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the fiducial Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ~1-8 millimagnitudes, but for a small subset of objects we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. Finally, we discuss approaches to extend the current methodology to capture more aspects of the transfer function for future analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Robotic Measurement of Holdup Deposit Volume in Gaseous Diffusion Piping to Quantify U-235 Content - 18375

During D and D of old gaseous diffusion uranium enrichment facilities, radiometric assay of U-235 holdup in pipes is a costly, time consuming, and labor-intensive process. Subject to human interpretation using approximate modeling, radiometric assay introduces significant challenges. Taking advantage of routine demolition activities in which D and D cuts pipes open, robotic in-pipe assay is explored. The novel method introduced here generates models of the internal pipe and deposit surface geometries that are used to derive volumetric quantities. The pipe surface is sensed using a non-contact inductive proximity sensor and the deposit surface is sensed using an optical laser triangulation sensor. These sensors are mounted on a spinning disk and driven down the pipe to construct a helical point cloud of discrete measurements. Surfaces are fit to each of the two point clouds to create a watertight volume that represents the holdup. This provides the location and volume per foot of pipe that is used to compare against criticality incredible (CI) thresholds during evaluation. The robotic system collects data autonomously, deploying and returning to the same pipe opening from which it is launched. This provides redundant measurements of the pipe and deposit surfaces as well as odometry used in localization. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

The influence of model resolution on the simulated sensitivity of North Atlantic tropical cyclone maximum intensity to sea surface temperature

Global climate models (GCMs) are routinely relied upon to study the possible impacts of climate change on a wide range of meteorological phenomena, including tropical cyclones (TCs). Previous studies addressed whether GCMs are capable of reproducing observed TC frequency and intensity distributions. This research builds upon earlier studies by examining how well GCMs capture the physically relevant relationship between TC intensity and SST. Specifically, the influence of model resolution on the ability of a GCM to reproduce the sensitivity of simulated TC intensity to SST is examined for the MRI-AGCM (20 km), the GFDL-HiRAM (50 km), the FSU-COAPS (0.94°) model, and two versions of the CAM5 (1° and 0.25°). Results indicate that while a 1°C increase in SST corresponds to a 5.5–7.0 m s -1 increase in observed maximum intensity, the same 1°C increase in SST is not associated with a statistically significant increase in simulated TC maximum intensity for any of the models examined. However, it also is shown that the GCMs all capably reproduce the observed sensitivity of potential intensity to SST. The models generate the thermodynamic environment suitable for the development of strong TCs over the correct portions of the Nort h Atlantic basin, but strong simulated TCs do not develop over these areas, even for models that permit Category 5 TCs. This result supports the notion that direct simulation of TC eyewall convection is necessary to accurately represent TC intensity and intensification processes in climate models, although additional explanations are also explored.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Quick-and-Easy Validation of Protein–Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry

Electronic structure calculations in enzymes converge very slowly with respect to the size of the model region that is described using quantum mechanics (QM), requiring hundreds of atoms to obtain converged results and exhibiting substantial sensitivity (at least in smaller models) to which amino acids are included in the QM region. As such, there is considerable interest in developing automated procedures to construct a QM model region based on well-defined criteria. However, testing such procedures is burdensome due to the cost of large-scale electronic structure calculations. Here, we show that semiempirical methods can be used as alternatives to density functional theory (DFT) to assess convergence in sequences of models generated by various automated protocols. The cost of these convergence tests is reduced even further by means of a many-body expansion. We use this approach to examine convergence (with respect to model size) of protein–ligand binding energies. Fragment-based semiempirical calculations afford well-converged interaction energies in a tiny fraction of the cost required for DFT calculations. Two-body interactions between the ligand and single-residue amino acid fragments afford a low-cost way to construct a “QM-informed” enzyme model of reduced size, furnishing an automatable active-site model-building procedure. This provides a streamlined, user-friendly approach for constructing ligand binding-site models that needs neither a priori information nor manual adjustments. Extension to model-building for thermochemical calculations should be straightforward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Halo clustering and g{sub NL}-type primordial non-gaussianity

A wide range of multifield inflationary models generate non-Gaussian initial conditions in which the initial adiabatic fluctuation is of the form (ζ{sub G}+g{sub NL}ζ{sub G}{sup 3}). We study halo clustering in these models using two different analytic methods: the peak-background split framework, and brute force calculation in a barrier crossing model, obtaining agreement between the two. We find a simple, theoretically motivated expression for halo bias which agrees with N-body simulations and can be used to constrain g{sub NL} from observations. We discuss practical caveats to constraining g{sub NL} using only observable properties of a tracer population, and argue that constraints obtained from populations whose observed bias is ∼<2.5 are generally not robust to uncertainties in modeling the halo occupation distribution of the population.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

GAMMA-RAY LIGHT CURVES FROM PULSAR MAGNETOSPHERES WITH FINITE CONDUCTIVITY

We investigate the shapes of {gamma}-ray pulsar light curves using three-dimensional pulsar magnetosphere models of finite conductivity. These models, covering the entire spectrum of solutions between vacuum and force-free magnetospheres, for the first time afford mapping the GeV emission of more realistic, dissipative pulsar magnetospheres. To this end we generate model light curves following two different approaches: (1) We employ the emission patterns of the slot and outer gap models in the field geometries of magnetospheres with different conductivity {sigma}. (2) We define realistic trajectories of radiating particles in magnetospheres of different {sigma} and compute their Lorentz factor under the influence of magnetospheric electric fields and curvature radiation-reaction; with these at hand we then calculate the emitted radiation intensity. The light curves resulting from these prescriptions are quite sensitive to the value of {sigma}, especially in the second approach. While still not self-consistent, these results are a step forward in understanding the physics of pulsar {gamma}-radiation.

79 ASTRONOMY AND ASTROPHYSICS↗