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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational Math Problems for a Clean Energy Future

Cutting edge computational mathematics are ubiquitous in renewable energy research. Problems in resilient and reliable electric grid operations, infrastructure planning, wind farm yaw control, and more demand sophisticated and scalable computational tools that enable the transition of renewable energy technologies from proof of concept to deployment into our energy system. The mission of the Computational Science Center at NREL is to lead the lab's efforts to solve energy challenges using high-performance computing (HPC), computational science, applied mathematics, scientific data management, visualization, and informatics. In this poster, we provide a short overview of three areas of computational mathematics research at NREL: wind power scenario generation for stochastic grid operations and infrastructure planning, improved rational function approximations for electromagnetic transients codes, and wind farm yaw control using a combination of the Alternating Direction Method of Multipliers (ADMM) and reinforcement learning (RL). Increasing penetrations of renewable energy into power grids motivate the investigation of new approaches to characterizing uncertainty for five-minute economic dispatch problems. Similarly, as the penetration of distributed energy resources on power grids increases, it becomes important to revisit our methods of modelling transient phenomena, i.e. electromagnetic transients programs. Finally, the combination of ADMM and RL for wind farm yaw control presented here can potentially increase the efficiency of the deployed distributed controllers by orders of magnitude.

ADMM↗
DOE OSTI2016

Spectral Transfer Learning Using Information Geometry for a User-Independent Brain-Computer Interface

Recent advances in signal processing and machine learning techniques have enabled the application of Brain-Computer Interface (BCI) technologies to fields such as medicine, industry, and recreation; however, BCIs still suffer from the requirement of frequent calibration sessions due to the intra- and inter-individual variability of brain-signals, which makes calibration suppression through transfer learning an area of increasing interest for the development of practical BCI systems. In this paper, we present an unsupervised transfer method (spectral transfer using information geometry,STIG),which ranks and combines unlabeled predictions from an ensemble of information geometry classifiers built on data from individual training subjects. The STIG method is validated in both off-line and real-time feedback analysis during a rapid serial visual presentation task (RSVP). For detection of single-trial, event-related potentials (ERPs), the proposed method can significantly outperform existing calibration-free techniques as well as out perform traditional within-subject calibration techniques when limited data is available. Here, this method demonstrates that unsupervised transfer learning for single-trial detection in ERP-based BCIs can be achieved without the requirement of costly training data, representing a step-forward in the overall goal of achieving a practical user-independent BCI system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Extension of the Supercritical Carbon Dioxide Brayton Cycle to Low Reactor Power Operation: Investigations using the Coupled ANL Plant Dynamics Code-SAS4A/SASSYS-1 Liquid Metal Reactor Code System

Significant progress has been made on the development of a control strategy for the supercritical carbon dioxide (S-CO 2 ) Brayton cycle enabling removal of power from an autonomous load following Sodium-Cooled Fast Reactor (SFR) down to decay heat levels such that the S-CO 2 cycle can be used to cool the reactor until decay heat can be removed by the normal shutdown heat removal system or a passive decay heat removal system such as Direct Reactor Auxiliary Cooling System (DRACS) loops with DRACS in-vessel heat exchangers. This capability of the new control strategy eliminates the need for use of a separate shutdown heat removal system which might also use supercritical CO 2 . It has been found that this capability can be achieved by introducing a new control mechanism involving shaft speed control for the common shaft joining the turbine and two compressors following reduction of the load demand from the electrical grid to zero. Following disconnection of the generator from the electrical grid, heat is removed from the intermediate sodium circuit through the sodium-to-CO 2 heat exchanger, the turbine solely drives the two compressors, and heat is rejected from the cycle through the CO 2 -to-water cooler. To investigate the effectiveness of shaft speed control, calculations are carried out using the coupled Plant Dynamics Code-SAS4A/SASSYS-1 code for a linear load reduction transient for a 1000 MWt metallic-fueled SFR with autonomous load following. No deliberate motion of control rods or adjustment of sodium pump speeds is assumed to take place. It is assumed that the S-CO 2 turbomachinery shaft speed linearly decreases from 100 to 20% nominal following reduction of grid load to zero. The reactor power is calculated to autonomously decrease down to 3% nominal providing a lengthy window in time for the switchover to the normal shutdown heat removal system or for a passive decay heat removal system to become effective. However, the calculations reveal that the compressor conditions are calculated to approach surge such that the need for a surge control system for each compressor is identified. Thus, it is demonstrated that the S-CO 2 cycle can operate in the initial decay heat removal mode even with autonomous reactor control. Because external power is not needed to drive the compressors, the results show that the S-CO 2 cycle can be used for initial decay heat removal for a lengthy interval in time in the absence of any off-site electrical power. The turbine provides sufficient power to drive the compressors. Combined with autonomous reactor control, this represents a significant safety advantage of the S-CO 2 cycle by maintaining removal of the reactor power until the core decay heat falls to levels well below those for which the passive decay heat removal system is designed. The new control strategy is an alternative to a split-shaft layout involving separate power and compressor turbines which had previously been identified as a promising approach enabling heat removal from a SFR at low power levels. The current results indicate that the split-shaft configuration does not provide any significant benefits for the S-CO 2 cycle over the current single-shaft layout with shaft speed control. It has been demonstrated that when connected to the grid the single-shaft cycle can effectively follow the load over the entire range. No compressor speed variation is needed while power is delivered to the grid. When the system is disconnected from the grid, the shaft speed can be changed as effectively as it would be with the split-shaft arrangement. In the split-shaft configuration, zero generator power means disconnection of the power turbine, such that the resulting system will be almost identical to the single-shaft arrangement. Without this advantage of the split-shaft configuration, the economic benefits of the single-shaft arrangement, provided by just one turbine and lower losses at the design point, are more important to the overall cycle performance. Therefore, the single-shaft configuration shall be retained as the reference arrangement for S-CO 2 cycle power converter preconceptual designs. Improvements to the ANL Plant Dynamics Code have been carried out. The major code improvement is the introduction of a restart capability which simplifies investigation of control strategies for very long transients. Another code modification is transfer of the entire code to a new Intel Fortran complier; the execution of the code using the new compiler was verified by demonstrating that the same results are obtained as when the previous Compaq Visual Fortran compiler was used.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Experimental analysis on the effects of DC arc discharges at various flow regimes

This paper addresses the control of the boundary layer on a compression ramp by means of DC electrical arc discharges. The development and realization of the control system are first described and then assessed in the wind tunnel. The objective of the research was to control the supersonic flow using the minimum amount of energy. The array of electrodes was located at the base of a ramp, where a low momentum flow develops. The electrical discharge was generated by a custom designed electronic facility based on high-voltage ignition coils. The slanted tungsten electrodes were insulated by mounting them in a ceramic support. The discharge evolution was studied through high-speed flow visualizations, while electrical measurements at the high-voltage section of the circuitry allowed to estimate the energy release. The development of a high-speed short exposure Schlieren imaging technique, based on a very short duration laser pulse illumination and a double shot CCD camera, allowed to observe the macroscopic effects associated with the arc establishment between the electrodes (glow, sound wave and heat release). Due to the long residence time, the thermal perturbation spread along the streamwise direction. Cross correlation of Schlieren images with short time separation revealed that in supersonic conditions, the discharges led to an overall acceleration of the flow field underneath the oblique shock wave.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A New Brain Positron Emission Tomography Scanner With Semiconductor Detectors for Target Volume Delineation and Radiotherapy Treatment Planning in Patients With Nasopharyngeal Carcinoma

Purpose: We compared two treatment planning methods for stereotactic boost for treating nasopharyngeal carcinoma (NPC): the use of conventional whole-body bismuth germanate (BGO) scintillator positron emission tomography (PET{sub CONV}WB) versus the new brain (BR) PET system using semiconductor detectors (PET{sub NEW}BR). Methods and Materials: Twelve patients with NPC were enrolled in this study. [{sup 18}F]Fluorodeoxyglucose-PET images were acquired using both the PET{sub NEW}BR and the PET{sub CONV}WB system on the same day. Computed tomography (CT) and two PET data sets were transferred to a treatment planning system, and the PET{sub CONV}WB and PET{sub NEW}BR images were coregistered with the same set of CT images. Window width and level values for all PET images were fixed at 3000 and 300, respectively. The gross tumor volume (GTV) was visually delineated on PET images by using either PET{sub CONV}WB (GTV{sub CONV}) images or PET{sub NEW}BR (GTV{sub NEW}) images. Assuming a stereotactic radiotherapy boost of 7 ports, the prescribed dose delivered to 95% of the planning target volume (PTV) was set to 2000 cGy in 4 fractions. Results: The average absolute volume ({+-}standard deviation [SD]) of GTV{sub NEW} was 15.7 ml ({+-}9.9) ml, and that of GTV{sub CONV} was 34.0 ({+-}20.5) ml. The average GTV{sub NEW} was significantly smaller than that of GTV{sub CONV} (p = 0.0006). There was no statistically significant difference between the maximum dose (p = 0.0585) and the mean dose (p = 0.2748) of PTV. The radiotherapy treatment plan based on the new gross tumor volume (PLAN{sub NEW}) significantly reduced maximum doses to the cerebrum and cerebellum (p = 0.0418) and to brain stem (p = 0.0041). Conclusion: Results of the present study suggest that the new brain PET system using semiconductor detectors can provide more accurate tumor delineation than the conventional whole-body BGO PET system and may be an important tool for functional and molecular radiotherapy treatment planning.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Shopping For Danger: E-commerce techniques applied to collaboration in cyber security

Collaboration among cyber security analysts is essential to a successful protection strategy on the Internet today, but it is uncommonly practiced or encouraged in operating environments. Barriers to productive collaboration often include data sensitivity, time and effort to communicate, institutional policy, and protection of domain knowledge. We propose an ambient collaboration framework, Vulcan, designed to remove the barriers of time and effort and mitigate the others. Vulcan automated data collection, collaborative filtering, and asynchronous dissemination, eliminating the effort implied by explicit collaboration among peers. We instrumented two analytic applications and performed a mock analysis session to build a dataset and test the output of the system.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

End-of-Life Evaluation of Compressed Natural Gas Vehicle Fuel Tanks

This study evaluated the structural integrity of Type III and Type IV CNG fuel tanks from the Los Angeles (LA) County Metropolitan Transportation Authority to characterize the fuel tank conditions after experiencing a full service life of 15 years in transit bus application. The data produced provide insight about the condition of the CNG fuel tanks at the conclusion of their defined EOL and potential risks of continued operation of the CNG vehicle without replacement of the expired fuel tanks. In addition to physical testing performed on the fuel tanks, a nondestructive evaluation of modal acoustic emission (MAE) was utilized to assess the structural integrity of the tanks. The CNG fuel tanks were evaluated in their received condition and after experiencing artificial damage. The MAE results were then compared to visual inspection results of the procedures defined in the Compressed Gas Association’s (CGA’s) C-6.2 and C-6.4 standards (Compressed Gas Association 2013; 2012) to better understand the effectiveness of the visual inspection and potential safety risks of continued use of the tanks.

03 NATURAL GAS↗
DOE OSTI2021

Core Characterization of Bakken Shale from the Bedwell 33-52-1-1H Well, Sheridan County, Montana

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core of the Bedwell 33-52-1-1H well (API 25-091-21920), a wildcat field in Sheridan County, Montana. The primary impetus of this work is to provide a unique dataset to researchers at universities, national laboratories, geological surveys, and other locations for additional analyses. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/bedwell-33-52-1-1h-well. The equipment and techniques used to characterize the full core were non-destructive, enabling future examinations and analyses to be performed on these cores. However, none of the equipment used was suitable for direct visualization of the pore space in fine-grained structures such as those found in shales; fractures, discontinuities, and millimeter scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. A selection of samples (Table 1) were cored, sliced, and powdered for additional characterization analyses. These analyses did involve destructive subsampling of the full core at discrete sections, and the results are presented here in the context of the larger core description. Selected sections of the core were removed from the full core for detailed analyses using the following destructive techniques: bulk inductively coupled plasma-optical emission spectroscopy (ICP-OES), isolation of carbon and sulfur, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and higher resolution CT scan with NETL’s micro-CT scanning systems. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2023

Predicting rare events using neural networks and short-trajectory data

Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simulation and/or measurement needed to resolve the elemental dynamics, accurate prediction from direct observations becomes challenging. In such cases a more effective approach is to cast statistics of interest as solutions to Feynman-Kac equations (partial differential equations). Here, we develop an approach to solve Feynman-Kac equations by training neural networks on short-trajectory data. Our approach is based on a Markov approximation but otherwise avoids assumptions about the underlying model and dynamics. This makes it applicable to treating complex computational models and observational data. Additionally, we illustrate the advantages of our method using a low-dimensional model that facilitates visualization, and this analysis motivates an adaptive sampling strategy that allows on-the-fly identification of and addition of data to regions important for predicting the statistics of interest. Finally, we demonstrate that we can compute accurate statistics for a 75-dimensional model of sudden stratospheric warming. This system provides a stringent test bed for our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

The role of electron irradiation history in liquid cell transmission electron microscopy

In situ liquid cell transmission electron microscopy (LC-TEM) allows dynamic nanoscale characterization of systems in a hydrated state. Although powerful, this technique remains impaired by issues of repeatability that limit experimental fidelity and hinder the identification and control of some variables underlying observed dynamics. We detail new LC-TEM devices that improve experimental reproducibility by expanding available imaging area and providing a platform for investigating electron flux history on the sample. Irradiation history is an important factor influencing LC-TEM results that has, to this point, been largely qualitatively and not quantitatively described. We use these devices to highlight the role of cumulative electron flux history on samples from both nanoparticle growth and biological imaging experiments and demonstrate capture of time zero, low-dose images on beam-sensitive samples. In particular, the ability to capture pristine images of biological samples, where the acquired image is the first time that the cell experiences significant electron flux, allowed us to determine that nanoparticle movement compared to the cell membrane was a function of cell damage and therefore an artifact rather than visualizing cell dynamics in action. Lastly, these results highlight just a subset of the new science that is accessible with LC-TEM through the new multiwindow devices with patterned focusing aides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The Circular Economy Life Cycle Assessment and Visualization Framework: A Multistate Case Study of Wind Blade Circularity in United States

A circular economy (CE) aims to decouple human activities from economic activities and resource use, and its overall goal is reducing or avoiding negative environmental externalities. The newly developed Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates changes in supply chain environmental impacts as it transitions toward circularity. This study expands CELAVI by incorporating detailed spatial resolution and real-world road routes connecting all facilities within the system. The case study on end-of-life decision making of wind turbine blades in the states of Iowa and Missouri explores how supply chain circularity and environmental impacts are affected by pathway costs and level of wind turbine installations. It demonstrates how high circularity costs might be beneficial for circularity transitions given revenue generated from circular pathways. Finally, impacts have important contributions to the supply chain design and thus show the importance of including detailed spatial resolution in CELAVI and CE studies in general.

circular economy↗
DOE OSTI2016

Steering microtubule shuttle transport with dynamically controlled magnetic fields

Nanoscale control of matter is critical to the design of integrated nanosystems. Here, we describe a method to dynamically control directionality of microtubule (MT) motion using programmable magnetic fields. MTs are combined with magnetic quantum dots (i.e., MagDots) that are manipulated by external magnetic fields provided by magnetic nanowires. MT shuttles thus undergo both ATP-driven and externally-directed motion with a fluorescence component that permits simultaneous visualization of shuttle motion. This technology is used to alter the trajectory of MTs in motion and to pin MT motion. Ultimately, such an approach could be used to evaluate the MT-kinesin transport system and could serve as the basis for improved lab-on-a-chip technologies based on MT transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Humidity-controlled preparation of frozen-hydrated biological samples for cryogenic coherent x-ray diffraction microscopy

Coherent x-ray diffraction microscopy (CXDM) has the potential to visualize the structures of micro- to sub-micrometer-sized biological particles, such as cells and organelles, at high resolution. Toward advancing structural studies on the functional states of such particles, here, we developed a system for the preparation of frozen-hydrated biological samples for cryogenic CXDM experiments. The system, which comprised a moist air generator, microscope, micro-injector mounted on a micromanipulator, custom-made sample preparation chamber, and flash-cooling device, allowed for the manipulation of sample particles in the relative humidity range of 20%-94%rh at 293 K to maintain their hydrated and functional states. Here, we report the details of the system and the operation procedure, including its application to the preparation of a frozen-hydrated chloroplast sample. Sample quality was evaluated through a cryogenic CXDM experiment conducted at BL29XUL of SPring-8. Taking the performance of the system and the quality of the sample, the system was suitable to prepare frozen-hydrated biological samples for cryogenic CXDM experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Enabling the democratization of the genomics revolution with a fully integrated web-based bioinformatics platform, Version 1.5 and 1.x.

EDGE bioinformatics was developed to help biologists process Next Generation Sequencing data (in the form of raw FASTQ files), even if they have little to no bioinformatics expertise. EDGE is a highly integrated and interactive web-based platform that is capable of running many of the standard analyses that biologists require for viral, bacterial/archaeal, and metagenomic samples. EDGE provides the following analytical workflows: quality trimming and host removal, assembly and annotation, comparisons against known references, taxonomy classification of reads and contigs, whole genome SNP-based phylogenetic analysis, and PCR analysis. EDGE provides an intuitive web-based interface for user input, allows users to visualize and interact with selected results (e.g. JBrowse genome browser), and generates a final detailed PDF report. Results in the form of tables, text files, graphic files, and PDFs can be downloaded. A user management system allows tracking of an individual’s EDGE runs, along with the ability to share, post publicly, delete, or archive their results.

Chain, Patrick↗
DOE OSTI2012

NIBBS-Search for Fast and Accurate Prediction of Phenotype-Biased Metabolic Systems

Understanding of genotype-phenotype associations is important not only for furthering our knowledge on internal cellular processes, but also essential for providing the foundation necessary for genetic engineering of microorganisms for industrial use (e.g., production of bioenergy or biofuels). However, genotype-phenotype associations alone do not provide enough information to alter an organism’s genome to either suppress or exhibit a phenotype. It is important to look at the phenotype-related genes in the context of the genome-scale network to understand how the genes interact with other genes in the organism. Identification of metabolic subsystems involved in the expression of the phenotype is one way of placing the phenotype-related genes in the context of the entire network. A metabolic system refers to a metabolic network subgraph; nodes are compounds and edges labels are the enzymes that catalyze the reaction. The metabolic subsystem could be part of a single metabolic pathway or span parts of multiple pathways. Arguably, comparative genome-scale metabolic network analysis is a promising strategy to identify these phenotype-related metabolic subsystems. Network Instance-Based Biased Subgraph Search (NIBBS) is a graph-theoretic method for genome-scale metabolic network comparative analysis that can identify metabolic systems that are statistically biased toward phenotypeexpressing organismal networks. We set up experiments with target phenotypes like hydrogen production, TCA expression, and acid-tolerance. We show via extensive literature search that some of the resulting metabolic subsystems are indeed phenotype-related and formulate hypotheses for other systems in terms of their role in phenotype expression. NIBBS is also orders of magnitude faster than MULE, one of the most efficient maximal frequent subgraph mining algorithms that could be adjusted for this problem. Also, the set of phenotype-biased metabolic systems output by NIBBS comes very close to the set of phenotype-biased subgraphs output by an exact maximally-biased subgraph enumeration algorithm ( MBS-Enum ). The code (NIBBS and the module to visualize the identified subsystems) is available at http:// freescience.org/cs/NIBBS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Utah FORGE: Seismic Event Catalogue from the April, 2022 Stimulation of Well 16A(78)-32

This dataset includes earthquake catalogues for the three stages of the 2022 well 16A(78)-32 stimulation provided by Geo Energie Suisse. Events in these catalogues have been visually inspected. There are additional events of lower signal to noise that were automatically detected. Those events will require additional analysis and processing. Times are recorded in UTC (Coordinate Universal Time), and the coordinate reference system is UTM Zone 12N, NAD83.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Pattern ANalytics To Support High-performance Exploitation and Reasoning (PANTHER)

Sandia researchers are developing analytic techniques that efficiently detect patterns in high-volume, noisy, remote sensing and other geospatial data, improving an analysts’ ability to detect possibly off-normal events in complex homeland security, nuclear weapons, and emerging threat environments. High-consequence, national security decisions rely on timely, comprehensive answers to complex questions, yet critical gaps in our approach to these questions remain. PANTHER addresses these gaps through fundamental research on: geospatial-temporal feature extraction via image segmentation and classification; geospatial-temporal graph algorithms and computational geometry; and domain-relevant models of human perception and cognition informing the design of analytic systems. PANTHER’s cross-disciplinary R&D approach uses fundamental science and mathematics to understand how to maximize decision systems through rethinking key aspects of geospatial data analysis. New methods in motion and trajectory analysis support both rapid search for known trajectories as well as rapid clustering and anomaly detection. Thus, the perceptual and visual load on users is reduced by providing pattern analytics with elegant visual cues to spatial and temporal characteristics.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

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