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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

DRSPALL: Impact of the Modification of the Numerical Spallings Model on Waste Isolation Pilot Plant Performance Assessment.

The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant (WIPP) solid waste subject to material failure and transport to the surface as a result of a hypothetical future inadvertent drilling intrusion. An error in the implementation of the DRSPALL finite difference equations was discovered as documented in Software Problem Report (SPR) 13-001. The modifications to DRSPALL to correct the finite difference equations are detailed, and verification and validation testing has been completed for the modified DRSPALL code. The complementary cumulative distribution function (CCDF) of spallings releases obtained using the modified DRSPALL is higher compared to that found in previous WIPP performance assessment (PA) calculations. Compared to previous PAs, there was an increase in the number of vectors that result in a nonzero spallings volume, which generally translates to an increase in spallings releases. The overall mean CCDFs for total releases using the modified DRSPALL are virtually unchanged, thus the modification to DRSPALL did not impact WIPP PA calculation results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Estimating traffic volumes for signalized intersections using connected vehicle data

Recently connected vehicle (CV) technology has received significant attention thanks to active pilot deployments supported by the US Department of Transportation (USDOT). At signalized intersections, CVs may serve as mobile sensors, providing opportunities of reducing dependencies on conventional vehicle detectors for signal operation. However, most of the existing studies mainly focus on scenarios that penetration rates of CVs reach certain level, e.g., 25%, which may not be feasible in the near future. How to utilize data from a small number of CVs to improve traffic signal operation remains an open question. In this work, we develop an approach to estimate traffic volume, a key input to many signal optimization algorithms, using GPS trajectory data from CV or navigation devices under low market penetration rates. To estimate traffic volumes, we model in this paper vehicle arrivals at signalized intersections as a time-dependent Poisson process, which can account for signal coordination. The estimation problem is formulated as a maximum likelihood problem given multiple observed trajectories from CVs approaching to the intersection. An expectation maximization (EM) procedure is derived to solve the estimation problem. Two case studies were conducted to validate our estimation algorithm. One uses the CV data from the Safety Pilot Model Deployment (SPMD) project, in which around 2800 CVs were deployed in the City of Ann Arbor, MI. The other uses vehicle trajectory data from users of a commercial navigation service in China. Mean absolute percentage error (MAPE) of the estimation is found to be 9–12%, based on benchmark data manually collected and data from loop detectors. Finally, considering the existing scale of CV deployments, the proposed approach could be of significant help to traffic management agencies for evaluating and operating traffic signals, paving the way of using CVs for detector-free signal operation in the future.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗
DOE OSTI2020

Potential for Applying Continuous Directed Evolution to Plant Enzymes: An Exploratory Study

Plant evolution has produced enzymes that may not be optimal for maximizing yield and quality in today’s agricultural environments and plant biotechnology applications. By improving enzyme performance, it should be possible to alleviate constraints on yield and quality currently imposed by kinetic properties or enzyme instability. Enzymes can be optimized more quickly than naturally possible by applying directed evolution, which entails mutating a target gene in vitro and screening or selecting the mutated gene products for the desired characteristics. Continuous directed evolution is a more efficient and scalable version that accomplishes the mutagenesis and selection steps simultaneously in vivo via error-prone replication of the target gene and coupling of the host cell’s growth rate to the target gene’s function. However, published continuous systems require custom plasmid assembly, and convenient multipurpose platforms are not available. We discuss two systems suitable for continuous directed evolution of enzymes, OrthoRep in Saccharomyces cerevisiae and EvolvR in Escherichia coli, and our pilot efforts to adapt each system for high-throughput plant enzyme engineering. To test our modified systems, we used the thiamin synthesis enzyme THI4, previously identified as a prime candidate for improvement. Our adapted OrthoRep system shows promise for efficient plant enzyme engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Implementation of a Portable HPGe for Field Contamination Assay

In this work, using MCNP to construct a detector model based initially on x-ray images of a portable high purity germanium (HPGe) detector followed by normalizing covering material values to also agree with check source responses, a validation of the model was attained. By calibrating the detector parameters using large count spectra, rigorous reproducibility is attained for high activity measurements but does not prevent deviations from normality in error distributions at the very low count events where spectral peaks are not always identifiable. The resulting model was created to allow operational assay of contamination over large areal distributions that could not otherwise be measured, such as the exhaust shaft at the Waste Isolation Pilot Plant (WIPP). Results indicate that contamination levels of activity in the exhaust shaft can be assayed to within a factor of 2. Lastly, detection limits are evaluated to be well below the contamination levels, which would constitute a legal environmental release if unfiltered ventilation of the underground facility were used.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations

Large atomic-orbital (AO) basis sets of at least triple and preferably quadruple-ζ (QZ) size are required to adequately converge Kohn–Sham density functional theory (DFT) calculations toward the complete basis set limit. However, incrementing the cardinal number by one nearly doubles the AO basis dimension, and the computational cost scales as the cube of the AO dimension, so this is very computationally demanding. Here, in this work, we develop and test a threshold-based natural atomic orbital (NAO) scheme in which ϵ-NAOs are obtained as eigenfunctions of atomic blocks of the density matrix in a one-center orthogonalized representation. This enables compression of the AO basis that is optimal for a given threshold, 10 –ϵ , by discarding NAOs with occupation numbers below that threshold. Extensive pilot test calculations using the Hartree–Fock functional and taking the converged density matrix as input suggest that a threshold of 10 –5 can yield a compression factor (ratio of AO to compressed ϵ-NAO dimension) between 2.5 and 4.5 for the QZ pc-3 basis. The errors in relative energies are typically less than 0.1 kcal/mol when the compressed basis is used instead of the uncompressed basis. Between 10 and 100 times smaller errors (i.e., usually less than 0.01 kcal/mol) can be obtained with a threshold 10 –7 , while the compression factor is typically between 2 and 2.5.

basis sets↗
DOE OSTI2024

Train small, model big: Scalable physics simulators via reduced order modeling and domain decomposition

Numerous cutting-edge scientific technologies originate at the laboratory scale, but transitioning them to practical industry applications is a formidable challenge. Traditional pilot projects at intermediate scales are costly and time-consuming. An alternative, the pilot-scale model, relies on high-fidelity numerical simulations, but even these simulations can be computationally prohibitive at larger scales. To overcome these limitations, we propose a scalable, physics-constrained reduced order model (ROM) method. The ROM identifies critical physics modes from small-scale unit components, projecting governing equations onto these modes to create a reduced model that retains essential physics details. We also employ Discontinuous Galerkin Domain Decomposition (DG-DD) to apply ROM to unit components and interfaces, enabling the construction of large-scale global systems without data at such large scales. Here this method is demonstrated on the Poisson and Stokes flow equations, showing that it can solve equations about 15–40 times faster with only ~1% relative error. Furthermore, ROM takes one order of magnitude less memory than the full order model, enabling larger scale predictions at a given memory limitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

SDSS-IV eBOSS emission-line galaxy pilot survey

The Sloan Digital Sky Survey IV extended Baryonic Oscillation Spectroscopic Survey (SDSS-IV/eBOSS) will observe 195,000 emission-line galaxies (ELGs) to measure the Baryonic Acoustic Oscillation standard ruler (BAO) at redshift 0.9. To test different ELG selection algorithms, 9,000 spectra were observed with the SDSS spectrograph as a pilot survey based on data from several imaging surveys. First, using visual inspection and redshift quality flags, we show that the automated spectroscopic redshifts assigned by the pipeline meet the quality requirements for a reliable BAO measurement. We also show the correlations between sky emission, signal-to-noise ratio in the emission lines, and redshift error. Then we provide a detailed description of each target selection algorithm we tested and compare them with the requirements of the eBOSS experiment. As a result, we provide reliable redshift distributions for the different target selection schemes we tested. Lastly, we determine an target selection algorithms that is best suited to be applied on DECam photometry because they fulfill the eBOSS survey efficiency requirements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Robust constrained tension control for high-precision roll-to-roll processes

Tension control is critical for maintaining good product quality in most roll-to-roll (R2R) production systems. Previous work has primarily focused on improving the disturbance rejection performance of tension controllers. Here, a robust linear parameter-varying model predictive control (LPV-MPC) scheme is designed to enhance the tension tracking performance of a pilot R2R system for deposition of materials used in flexible thin film applications. The performance of a tension controller may degrade due to disturbances associated with model uncertainties and the slowly-changing dynamics in R2R systems. We introduce a method that separately treats these two sources of disturbance. The controller utilizes an incremental model to eliminate the errors caused by the mismatch between the nominal model and the actual system. A tube-based MPC formulation combined with scheduled parameters adequately updates models and corrects for the time-varying dynamics. Constraints on the rated motor torque are incorporated in the MPC to maintain the controller reliability and avoid machine failures. We illustrate the operation of our control algorithm through simulation of an actual R2R system. The controller outperforms the benchmarks in terms of fast transient response and offset-free tension tracking. Furthermore, it also demonstrates immunity from variations due to parametric uncertainties.

42 ENGINEERING↗
DOE OSTI2025

Forecasting Battery Electrode Performance via Electrochemical Fluorescence Microscopy and Machine-Learning

Predicting lithium-ion battery performance is hindered by microscale electrode heterogeneities invisible to conventional diagnostics. Here, we combine electrochemical fluorescence microscopy (EFM), which maps electronic connectivity by visualizing an electrofluorophore reaction distribution, with a multitask ElasticNet regression to forecast discharge capacity from spatial heterogeneity. Analyzing 196 images from six pilot-scale LiNi 0.5 Mn 0.3 Co 0.2 O 2 cathodes with varying carbon loadings, we extract 62 descriptors that capture morphology and texture. A compact five-feature model predicts capacity across eight discharge rates, achieving a per-target R 2 of up to 0.63 and an overall R 2 of 0.92, with a mean absolute percentage error of less than 2%. This performance rivals impedance-based approaches while avoiding their reliance on postformation data and incomplete electronic network information. Our facile and rapid, image-driven method may enable electrode quality control upstream of costly cell assembly to offer a transformative tool for data-driven battery research and manufacturing.

battery electrodes↗
DOE OSTI2016

SU-F-T-249: Application of Human Factors Methods: Usability Testing in the Radiation Oncology Environment

Purpose: As a quality improvement measure, we undertook this work to incorporate usability testing into the implementation procedures for new electronic documents and forms used by four affiliated radiation therapy centers. Methods: A human factors specialist provided training in usability testing for a team of medical physicists, radiation therapists, and radiation oncologists from four radiotherapy centers. A usability testing plan was then developed that included controlled scenarios and standardized forms for qualitative and quantitative feedback from participants, including patients. Usability tests were performed by end users using the same hardware and viewing conditions that are found in the clinical environment. A pilot test of a form used during radiotherapy CT simulation was performed in a single department; feedback informed adaptive improvements to the electronic form, hardware requirements, resource accessibility and the usability testing plan. Following refinements to the testing plan, usability testing was performed at three affiliated cancer centers with different vault layouts and hardware. Results: Feedback from the testing resulted in the detection of 6 critical errors (omissions and inability to complete task without assistance), 6 non-critical errors (recoverable), and multiple suggestions for improvement. Usability problems with room layout were detected at one center and problems with hardware were detected at one center. Upon amalgamation and summary of the results, three key recommendations were presented to the document’s authors for incorporation into the electronic form. Documented inefficiencies and patient safety concerns related to the room layout and hardware were presented to administration along with a request for funding to purchase upgraded hardware and accessories to allow a more efficient workflow within the simulator vault. Conclusion: By including usability testing as part of the process when introducing any new document or procedure into clinical use, associated risks can be identified and mitigated before patient care and clinical workflow are impacted.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Sensitivity analysis on optical performance of a novel linear Fresnel concentrating solar power collector

A novel, low-cost linear Fresnel collector for concentrating solar power applications is being developed by Hyperlight Energy (Hyperlight) and the National Renewable Energy Laboratory (NREL). Hyperlight is currently deploying their linear Fresnel collector technology in a half-acre pilot loop near Brawley, California. The optical performance of a concentrating solar power collector represents the largest loss in the efficiency of the overall system. The ability to accurately model the complex optical interactions of a collector becomes essential in successfully implementing a new collector technology. Here, this study presents a detailed sensitivity analysis of the optical performance of Hyperlight linear Fresnel technology, characterizing the effects of potential optomechanical error sources on collector performance. Optical models are implemented in SolTrace, a Monte-Carlo ray-tracing software developed at NREL. First, SolTrace is used to analyze collector sensitivity to individual optomechanical error perturbations in both the primary reflectors and the receiver assembly. Then, a high-fidelity optomechanical error model is adopted to capture the realistic performance of the installed Hyperlight linear Fresnel collector. Finally, the sensitivity analysis can provide insightful guidance to inform the tightening and relaxation of tolerances during manufacturing and implementation of a new collector technology.

14 SOLAR ENERGY↗
DOE OSTI2020

A dynamic thermal algal growth model for pilot-scale open-channel raceways

Here this study describes the makeup of and results from a simulation consisting of a lumped thermal model integrated with a dynamic algae growth model to simulate the microalgae productivity of an open-channel raceway cultivation system. The thermal model considers the dynamic effects of weather, light absorption, convective heat transfer, radiation heat transfer, conductive heat transfer, thermal capacitance, and water control strategies. The dynamic algae growth model solves a set of ordinary differential equations consisting of growth functions dependent on incident radiation, temperature, nutrient availability, basal metabolism, and losses due to dark- and photo-respiration. Relative errors in the predicted ash-free dry weight of Nannochloropsis oceanica are 12.5%, -6.1%, and 4.4% for three separate replicates of cultivation cycles (~4.2 m 2 ) performed at AzCATI during the ATP 3 Unified Field Studies in Fall, Spring, and Summer. This research demonstrates that thermal modeling is an essential contributor to the validation of microalgae growth models.

09 BIOMASS FUELS↗
DOE OSTI2016

Reinvestigation into Closure Predictions of Room D at the Waste Isolation Pilot Plant

Room D was an in-situ, isothermal, underground experiment conducted at the Waste Isolation Pilot Plant between 1984 and 1991. The room was carefully instrumented to measure the horizontal and vertical closure immediately upon excavation and for several years thereafter. Early finite element simulations of salt creep around Room D under-predicted the vertical closure by 4.5×, causing investigators to explore a series of changes to the way Room D was modeled. Discrepancies between simulations and measurements were resolved through a series of adjustments to model parameters, which were openly acknowledged in published reports. Interest in Room D has been rekindled recently by the U.S./German Joint Project III and Project WEIMOS, which seek to improve the predictions of rock salt constitutive models. Joint Project participants calibrate their models solely against laboratory tests, and benchmark the models against underground experiments, such as room D. This report describes updating legacy Room D simulations to today’s computational standards by rectifying several numerical issues. Subsequently, the constitutive model used in previous modeling is recalibrated two different ways against a suite of new laboratory creep experiments on salt extracted from the repository horizon of the Waste Isolation Pilot Plant. Simulations with the new, laboratory-based, calibrations under-predict Room D vertical closure by 3.1×. A list of potential improvements is discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Chirped-probe-pulse femtosecond CARS thermometry in turbulent spray flames

This paper presents temperature measurements in turbulent dilute and dense spray flames using single-laser-shot chirped-probe-pulse femtosecond coherent anti-Stokes Raman spectroscopy (CPP-fs-CARS). This ultrafast technique, with a repetition rate of 5 kHz, is applied to the piloted Sydney Needle Spray Burner (SYNSBURN TM ). The burner system features air-blast atomization of liquid injected from a needle that can be translated within a co-flowing air stream. The pilot-stabilized spray flames can range between the two extremes of dense and dilute by physically translating the needle tip relative to the burner's exit plane. The CPP-fs-CARS set-up has achieved integration times of 3 picoseconds (ps) as well as spatial resolution of approximately 800 µm along beam propagation and 60 µm in the transverse dimension. Brief details of the technique, calibration, correction of interferences, and spectral fitting processes are presented along with estimates of the associated error. The measurements are compared against well-established, line Raman–Rayleigh data for temperature collected in a turbulent CH 4 /air jet diffusion flame, which is largely non-sooting. At peak gaseous flame temperatures of up to 2512 K, the relative accuracy and precision were 2.8% and ±3.4%, respectively. Measurements in turbulent spray flames are shown after applying the relevant corrections based on non-resonant background (NRB) behavior and camera saturation effects on the shape of the CARS signal spectrum. Preliminary mapping of the temperature fields demonstrates the wealth of information available in this dataset which will provide insights into the spatio-temporal structure of spray flames once relevant statistical analysis is applied.

42 ENGINEERING↗
DOE OSTI2025

Dynamic Line Rating Models and Their Potential for a Cost‐Effective Transition to Carbon‐Neutral Power Systems

Most transmission system operators (TSOs) currently use seasonally steady-state models considering limiting weather conditions that serve as reference to compute the transmission capacity of overhead power lines. The use of dynamic line rating (DLR) models can avoid the construction of new lines, market splitting, false congestions, and the degradation of lines in a cost-effective way. DLR can also be used in the long run in grid extension and new power capacity planning. In the short run, it should be used to help operate power systems with congested lines. The operation of the power systems is planned to have the market trading into account; thus, it computes transactions hours ahead of real-time operation, using power flow forecasts affected by large errors. In the near future, within a “smart grid” environment, in real-time operation conditions, TSOs should be able to rapidly compute the capacity rating of overhead lines using DLR models and the most reliable weather information, forecasts, and line measurements, avoiding the current steady-state approach that, in many circumstances, assumes ampacities above the thermal limits of the lines. Here, this work presents a review of the line rating methodologies in several European countries and the United States. Furthermore, it presents the results of pilot projects and studies considering the application of DLR in overhead power lines, obtaining significant reductions in the congestion of internal networks and cross-border transmission lines.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Central Engine and Host Galaxy of RXJ 1301.9+2747: A Multiwavelength View of a Low-mass Black Hole Active Galactic Nuclei with Ultra-soft X-Ray Emission

RXJ 1301.9+2747 is an optically identified very-low-mass AGN candidate with M{sub BH}∼1×10{sup 6} M{sub ⊙}, which shows extremely soft X-ray emission and unusual X-ray variability in the form of short-lived flares. We present an analysis of multiwavelength observations of RXJ 1301.9+2747 in order to study the properties of the active nucleus and its host galaxy. The UV-to-X-ray spectrum in the quiescent state can be well and self-consistently described by a thermal and a Comptonized emission from the accretion disk, with the black body dominating ∼70% of the X-rays in the 0.2–2 keV. The same model can describe the X-ray spectrum in the flare state, but the Comptonized component becomes dominant (∼80%). The best fit implies an Eddington ratio of ∼0.14 and a black-hole mass of (1.7−2.8)×10{sup 6} M {sub ⊙}, in agreement with the estimation from the optical data within errors. However, the best-fitting model under predicts the optical flux for the HST point source by a factor of ∼2. The excess of nuclear optical emission could be attributed to a nuclear stellar cluster, which is frequently seen in low-mass AGNs. The X-ray to optical spectral slope (α{sub ox}) is lower than in most other active galaxies, which may be attributed to intrinsically X-ray weakness due to very little hot and optically thin coronal emission. We performed a pilot search for weak or hidden broad emission lines using optical spectropolarimetry observations, but no polarized broad lines are detected. The host galaxy appears to be a disk galaxy with a boxy pseudobulge or nuclear bar accounting for ∼15% of the total starlight, which is consistent with the general characteristics of the host of low-mass AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗