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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 OSTI2016

SU-G-JeP3-01: A Method to Quantify Lung SBRT Target Localization Accuracy Based On Digitally Reconstructed Fluoroscopy

Purpose: To develop a methodology based on digitally-reconstructed-fluoroscopy (DRF) to quantitatively assess target localization accuracy of lung SBRT, and to evaluate using both a dynamic digital phantom and a patient dataset. Methods: For each treatment field, a 10-phase DRF is generated based on the planning 4DCT. Each frame is pre-processed with a morphological top-hat filter, and corresponding beam apertures are projected to each detector plane. A template-matching algorithm based on cross-correlation is used to detect the tumor location in each frame. Tumor motion relative beam aperture is extracted in the superior-inferior direction based on each frame’s impulse response to the template, and the mean tumor position (MTP) is calculated as the average tumor displacement. The DRF template coordinates are then transferred to the corresponding MV-cine dataset, which is retrospectively filtered as above. The treatment MTP is calculated within each field’s projection space, relative to the DRF-defined template. The field’s localization error is defined as the difference between the DRF-derived-MTP (planning) and the MV-cine-derived-MTP (delivery). A dynamic digital phantom was used to assess the algorithm’s ability to detect intra-fractional changes in patient alignment, by simulating different spatial variations in the MV-cine and calculating the corresponding change in MTP. Inter-and-intra-fractional variation, IGRT accuracy, and filtering effects were investigated on a patient dataset. Results: Phantom results demonstrated a high accuracy in detecting both translational and rotational variation. The lowest localization error of the patient dataset was achieved at each fraction’s first field (mean=0.38mm), with Fx3 demonstrating a particularly strong correlation between intra-fractional motion-caused localization error and treatment progress. Filtering significantly improved tracking visibility in both the DRF and MV-cine images. Conclusion: We have developed and evaluated a methodology to quantify lung SBRT target localization accuracy based on digitally-reconstructed-fluoroscopy. Our approach may be useful in potentially reducing treatment margins to optimize lung SBRT outcomes. R01-184173.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

CyDER: A Cyber Physical Co-simulation Platform for Distributed Energy Resources in Smartgrids

The CyDER project aimed at developing an open-source, modular and scalable co-simulation platform for power grids with large shares of Distributed Energy Resources (DERs). The project partners are the Lawrence Berkeley National Lab (LBNL), Lawrence Livermore National Lab (LLNL), PG&E, SolarCity, and ChargePoint. The prime recipient is LBNL; SolarCity and ChargePoint were partners for the project’s first two years. Increased DER integration introduces a number of challenges in power grid operation including a more dynamic interaction between the transmission grid and distribution grids, and increased modeling complexity. Although specialized software exists to precisely model different components of the power system, it is far from trivial to integrate all various models and perform a holistic simulation. Instead of replicating all models in a common simulation program, a commonly accepted approach to tackle this model diversity is to couple third-party simulators and models through a co-simulation platform that coordinates information exchange among the various components. Following this line of research, this project’s objective was to develop a co-simulation platform based on a widely accepted industrial standard called Functional Mockup Interface (FMI). Within this process, the project developed models compliant with the FMI standard, called Functional Mockup Units (FMUs), and used them to perform various operational and planning power system analyses. Relying and building upon an industrial standard is the main differentiation of this project compared with previous or parallel efforts in the co-simulation area. Particular emphasis was put on delivering software utilities to facilitate setting up and running co-simulations by end-users. Furthermore, a strong aspect of this project is demonstrating that co-simulation techniques can be used to perform Hardware-in-the-Loop (HIL) simulations that couple software components (e.g., simulated models) with hardware components (e.g., real devices such PV systems and batteries). The long-term goal of CyDER project is to help establish FMI as a powerful standard for co-simulation and promote adoption by electric utilities and other interested stakeholders. The main accomplishments of the project include the development of several FMUs including distribution and transmission grid models, PV inverters with Volt/Var/Watt controllers, batteries, and predictive optimal controllers. Additionally, a unique software package was developed, called SimulatorToFMU, which is capable of exporting any Python-driven simulator or Python script as an FMU. This is an important contribution towards establishing FMI as one of the main co-simulation standards, because more and more third-party programs for sub-system modeling and simulation are delivered with Python APIs. The CyDER platform was used to perform PV hosting capacity analyses in real utility feeders with and without smart inverter controls, battery storage, and EV charging. Smart inverter controls include conventional Volt/Var/Watt controls for reactive power support and active power curtailment, but also predictive controls that optimize the charging and discharging profile of the battery connected on the DC side in order to minimize the customer’s economic benefit. Finally, an important result of this project is delivering an experimental setup that consists of residential-scale PV inverters with battery storage, a real-time grid simulator with an ideal voltage source as grid emulator, and micro Phasor Measurement Units (PMUs). All these components and additional software modules are coupled to one another using the FMI standard and can be co-simulated with the CyDER platform.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1994

An implementation of a tree code on a SIMD, parallel computer

We describe a fast tree algorithm for gravitational N-body simulation on SIMD parallel computers. The tree construction uses fast, parallel sorts. The sorted lists are recursively divided along their x, y and z coordinates. This data structure is a completely balanced tree (i.e., each particle is paired with exactly one other particle) and maintains good spatial locality. An implementation of this tree-building algorithm on a 16k processor Maspar MP-1 performs well and constitutes only a small fraction (approximately 15%) of the entire cycle of finding the accelerations. Each node in the tree is treated as a monopole. The tree search and the summation of accelerations also perform well. During the tree search, node data that is needed from another processor is simply fetched. Roughly 55% of the tree search time is spent in communications between processors. We apply the code to two problems of astrophysical interest. The first is a simulation of the close passage of two gravitationally, interacting, disk galaxies using 65,636 particles. We also simulate the formation of structure in an expanding, model universe using 1,048,576 particles. Our code attains speeds comparable to one head of a Cray Y-MP, so single instruction, multiple data (SIMD) type computers can be used for these simulations. The cost/performance ratio for SIMD machines like the Maspar MP-1 make them an extremely attractive alternative to either vector processors or large multiple instruction, multiple data (MIMD) type parallel computers. With further optimizations (e.g., more careful load balancing), speeds in excess of today's vector processing computers should be possible.

Olson, Kevin M.↗
DOE OSTI2016

XAFS Investigation of Uranium Binding by Seawater-Contacted Amidoxime Adsorbents

Extraction of uranium from seawater constitutes an important avenue for ensuring nuclear fuel availability beyond the coming century. With a predicted 100 years of uranium remaining in terrestrial ores, efficient extraction of the 4.5 billion tons of uranium dissolved in ocean water would enable access to an effectively limitless supply. More near-term benefits include establishment of a backstop technology, preventing runaway price inflation for this critical resource. The current state-of-the-art material for seawater extraction of uranium is a polymeric adsorbent composed of a robust trunk material subsequently surface functionalized by copolymerization of polyacrylonitrile and a hydrophilic comonomer. Treatment of this material with hydroxylamine results in the formation of poly-amidoxime functionalities which have been known to bind strongly with uranium since the early 1980's. Despite more than three decades of investigation, many questions remain unanswered regarding how these adsorbents bind uranium in seawater. The physical characteristics of the polymer prohibit many classical characterization techniques, while most spectroscopic approaches are impeded by the relatively low concentration of uranium compared to the polymer itself and other metals extracted by the adsorbent. The traditional approach has been to investigate small molecule analogues of uranyl - dioxouranium (VI), the form of uranium present in seawater - as bound by amidoxime or amidoxime derivatives, and assert the findings to be representative of the larger polymer system. Computational efforts have also been recently leveraged to a similar end. This approach is not without difficulty, as it has been routinely proposed that the treatment with hydroxylamine and subsequent alkaline conditioning results in formation of a cyclic imide dioxime site, which is truly responsible for uranium binding, as opposed to the 'open chain' amidoxime. Further complications ensue from considering the possibility of cooperative binding interactions from the different hydrophilic comonomers which are known to be necessary for optimizing uranium capacity. Finally, application of different surface polymerization techniques has the potential to directly affect the morphology of the surface polymer by influencing the degree of grafting, extent of polymer crosslinking, and polymer density. The impact of these morphological considerations on the uranyl binding environment cannot be easily replicated with small molecule studies or by computation. Ultimately, the precise binding environment of uranium is unknown, but constitutes critical knowledge for the design and engineering of advanced adsorbent materials capable of selective extraction of uranium from seawater. Analysis of the EXAFS fits reveals three of the four polymer morphologies appear to bind uranium in different chemical environments, none of which were predicted by crystallographic study or computational investigation, challenging numerous long-held assumptions. Both AI-8 and AN/HEA spectra possess features which could be attributable to cooperative binding of uranium by comonomers, but this cannot be definitively determined by EXAFS without further investigation. Unlike AF-1, neither AI-8 or AN/HEA require an adjacent μ{sup 2}-oxo-bridged transition metal to obtain a reasonable fit. The fit for Cyclic AF-1 is refined to almost identical parameters to the fit of the original AF-1 adsorbent, with the only difference is the contracting of the light elements in the second coordination sphere. It is thus proposed that the DMSO and heat treatment of the AF-1 fiber does very little to change the uranium binding site, and any differences in uptake are more readily explained by changes in the morphology of the graft polymer. There is no evidence for cyclic amidoxime functionality contributing significantly to the extraction of uranium from seawater, and efforts to maximize the number of these binding sites should be discontinued. While molecular interactions necessarily occur in adsorption processes, these results clearly reveal physical phenomena at the mesoscale play a critical role in adsorbent behavior, even to the extent that the binding environment differs from those predicted by small molecule studies. In contrast to the current paradigm where chemical functionality is varied, improvements in the performance of polymer-based amidoxime-functionalized adsorbents for extraction of uranium from seawater need also be pursued through interrogation and modulation of bulk morphology and improvements in polymer hydrophilicity. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Using Separation-Enhanced Isotope Ratio Mass Spectrometry to Enable Increased Renewable Carbon Content in Transportation Fuels (CRADA 525)

Stable isotope ratio measurements of carbon atoms using isotope ratio mass spectrometry (IRMS) can be an effective tool for quantifying biogenic carbon in co-processed fuels, with results approaching the precision and accuracy of accelerator mass spectrometry (AMS). The lower cost of an IRMS may enable deployment to refineries, improving access and analysis turnaround times (≤2 hours), and, by extension, provide data that can allow process optimization to maximize renewable carbon in desired refinery products. This project explored the integration of chemical separation with IRMS analyses to enable highly detailed tracking of biogenic carbon into fuel product streams separated by boiling point range, chemical class, or specific compound. Forty-nine fuels and fuel components of fossil and biogenic origin, spanning gasoline and diesel boiling point ranges, were received from three refiners and were analyzed for their δ 13 C values via IRMS. Results spanned a 13 C range from ca. 10‰ to 44‰ and reflect materials derived from sustainable sources (e.g., C4 or C3 plants, animal-based pathways, syngas) or from fossil-derived fuels. Common ranges are approximately 18‰ to 9‰ and approximately 30‰ to 20‰ for C4 and C3 plants, respectively, and approximately 34‰ to 24‰ and approximately 70‰ to 33‰ for petroleum-derived fuels and methane, respectively. Fuel-like standards were developed and tested using direct-injection elemental analyzer (EA) IRMS for liquid fuels. This method was compared with the published methods, yielding statistically similar results. Four blend curve sets were produced ranging from 0% to 100% of a fuel containing biogenic carbon, focusing on 0% to 10% biogenic carbon. Linear fits were the most applicable for two of the four blend curve sets; however, two sets were found to exhibit slightly quadratic behavior, which was more pronounced in low biogenic blend samples, necessitating second-order fits. The origin of the slight quadratic behavior remains unclear; however, the discussion points to possible interpretations. CanmetENERGY thoroughly characterized a majority of the samples using one- and two-dimensional gas chromatography (GC and GC×GC, respectively) and other analyses. Selected samples were subjected to solid phase extraction (SPE) for saturate, olefin, aromatic, and polar (SOAP) analysis, and the resulting solvent-diluted fractions containing saturates and aromatics were returned to Pacific Northwest National Laboratory (PNNL), where the solvent was removed via evaporation or physical separation using GC techniques. Characterization and separations provided an understanding of saturate and aromatic content, as well as boiling point ranges for each sample and sample fraction. Samples resulting from SPE were examined using EA-IRMS and gas chromatography combustion IRMS (GC-C-IRMS) analyses. Both approaches suggest that the range in values between end-members can be increased by selecting the paraffinic or aromatic fraction of the end-member or by selecting among individual compounds resulting from GC separation of the paraffinic fractions. Considerable work remains to put these approaches into practice and statistically validate the benefit for using a fraction or individual compound over bulk analysis of a sample. However, initial results suggest that separations provide advantages for samples having blend ratios of less than 10% biogenic blendstocks. 13 C results showed statistically similar biofuel blend results to those obtained at PNNL, although additional work is needed to obtain better reproducibility. Select samples were sent to Los Alamos National Laboratory (LANL) for IRMS measurements and Beta Analytics for AMS measurements. This work suggests that IRMS and AMS yield closely comparable results and in some circumstances, IRMS could serve as a surrogate for AMS. While additional work is needed to better resolve statistical advantages for separations and better show the comparable nature of IRMS and AMS in both the biogenic carbon analysis of bulk chemical classes, initial results from this study suggest that these should be pursued in order to proliferate this approach for quantifying biogenic carbon in transportation fuels to the refinery level, thereby potentially enabling process optimization in co-processing scenarios.

09 BIOMASS FUELS↗
NASA NTRSDate not supplied

NASA's Efforts to Commercialize Communications Services for Mission in Near-Earth Space

The National Aeronautics and Space Administration (NASA) Space Communications and Navigation (SCaN)Program enables high speed, robust, secure and cost-effective space communications and navigation services to current and future science and exploration missions. Consistent with National Space Policy, NASA is pursuing the use of demonstrated commercial services for all its future near-Earth requirements through a flexible, multi-provider approach that minimizes risks to the user missions and ensures costs to user missions are reasonable. Progress toward this goal is advancing in multiple key areas including direct to Earth (DTE), space-based relay, technology investments, required spectrum regulatory changes and mission engagement and infusion. The transition to commercial DTE services is already underway, with a target for transition by 2024. The primary functions to execute SCaN’s DTE strategy include increasing commercial service allocations by leveraging current commercial network providers and enabling seamless onboarding of additional providers into the network. Furthermore, moving away from government DTE services will allow operational costs to be optimized. A more gradual approach is planned for the transition to commercial space-based relay services to allow for demonstration and operationalization of commercial services for future users by 2030. In June of 2022, six American SATCOM vendors were awarded a combined $278.5 million through Funded Space Act Agreements (FSAAs) for the first cycle of demonstration and validation activities. The end-to-end service capabilities being targeted are based on existing NASA mission operational needs. Accordingly, each company has proposed a technical approach to lower costs, increase flexibility, and improve performance for a broad range of missions. Successful user mission transition to commercial services, both DTE and space-based relay, are dependent on the technologies and capabilities that address gaps in commercial capability. NASA is investing in technology development and pursuing a new strategic approach to the creation or adoption of space communications standards to move the agency toward a commercial paradigm. Wideband and multi-lingual user terminals are being developed to bridge differences in industry services. Building on ground demonstrations completed in 2021, the Johns Hopkins Applied Physics Lab (APL) will be flight testing a multi-lingual wideband terminal (payload) and demonstrating connectivity to both government and commercial relay services. NASA holds a leadership role in multiple civil space standards bodies and international coordination groups to ensure that standards supporting interoperability are developed with defined functions, interfaces, and performance. However, to successfully meet commercialization objectives, NASA seeks to collaborate with industry, and as applicable adopt or adapt to commercially defined standards. As such, NASA joined the 3rd Generation Partnership Project (3GPP) as an official member in 2021 to advocate for the inclusion of space missions as a unique user segment in future 5G non-terrestrial networks, and to better understand the scope of 3GPP releases and implications for space users. Further, engagement in Spectrum regulatory bodies is being undertaken to augment existing space-Earth and inter-satellite frequency allocations available for both government and commercial space systems. This paper addresses the recent progress toward NASA’s commercial space communications transition objectives and how key challenges are being navigated.

Gregory W Heckler↗
DOE OSTI2023

Energy Optimization of Light and Heavy-Duty Vehicle Cohorts of Mixed Connectivity, Automation and Propulsion System Capabilities via Meshed V2V-V2I and Expanded Data Sharing (Final Scientific and Technical Report)

Vehicle connectivity and automated driving technologies individually have the potential to decrease energy consumption and/or increase safety on light, medium or heavy duty vehicles to varying degrees depending on the traffic infrastructure and specific driving scenarios. Due to advances in sensing, perception and computing power, research and development emphasis in the mobility sector has shifted away from connectivity. Prior research has shown that driving automation with the absence of connectivity can in certain circumstances increase energy consumption. The effectiveness of synergizing connectivity and driving automation technologies is the focus of this work, specifically applied to vehicle cohorts of mixed composition, light and heavy duty, and powertrains ranging from all electric to conventional internal combustion engine. The project team is led by Michigan Technological University (MTU) and partnered with AVL Mobility Technologies Inc. (AVL), Borg Warner (BW), Traffic Technology Services (TTS), American Center for Mobility (ACM) and Navistar (NAV). The main thrusts for the team are to develop a micro-traffic simulation environment with specific VD&PT system attributes and CAV capabilities, 2) field a vehicle test fleet of mixed classification, propulsion and CAV capacity, 3) develop artificial intelligence (AI) and machine learning (ML) based multi-agent optimization methods for various traffic infrastructures, 4) integrate the virtual environment and the optimization methods then deploy the system as a CAV hardware in the loop (HiL) for the vehicle test fleet and 5) conduct closed track and public road testing to validate simulation and demonstrated energy and mobility improvements at multiple scales. For a cohort of mixed vehicles, the team will demonstrate a reduction of energy consumption of 10-50% at intersection, arterial roadway and limited access highway scenarios through connectivity and automation in simulation and at a closed test track. The energy reduction objectives of the project are summarized in Table 1, indicating the infrastructure and over what distances are relevant considered. Single scenario energy reductions are not relevant and thus, the research team took the approach to vary parameters associated with the infrastructure, vehicle cohort composition and dynamic behavior to generate energy consumption distributions for both unconnected and connected scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2010

NASA Tech Briefs, March 2010

Topics covered include: Software Tool Integrating Data Flow Diagrams and Petri Nets; Adaptive Nulling for Interferometric Detection of Planets; Reducing the Volume of NASA Earth-Science Data; Reception of Multiple Telemetry Signals via One Dish Antenna; Space-Qualified Traveling-Wave Tube; Smart Power Supply for Battery-Powered Systems; Parallel Processing of Broad-Band PPM Signals; Inexpensive Implementation of Many Strain Gauges; Constant-Differential-Pressure Two-Fluid Accumulator; Inflatable Tubular Structures Rigidized with Foams; Power Generator with Thermo-Differential Modules; Mechanical Extraction of Power From Ocean Currents and Tides; Nitrous Oxide/Paraffin Hybrid Rocket Engines; Optimized Li-Ion Electrolytes Containing Fluorinated Ester Co-Solvents; Probabilistic Multi-Factor Interaction Model for Complex Material Behavior; Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators; Compact Rare Earth Emitter Hollow Cathode; High-Precision Shape Control of In-Space Deployable Large Membrane/Thin-Shell Reflectors; Rapid Active Sampling Package; Miniature Lightweight Ion Pump; Cryogenic Transport of High-Pressure-System Recharge Gas; Water-Vapor Raman Lidar System Reaches Higher Altitude; Compact Ku-Band T/R Module for High-Resolution Radar Imaging of Cold Land Processes; Wide-Field-of-View, High-Resolution, Stereoscopic Imager; Electrical Capacitance Volume Tomography with High-Contrast Dielectrics; Wavefront Control and Image Restoration with Less Computing; Polarization Imaging Apparatus; Stereoscopic Machine-Vision System Using Projected Circles; Metal Vapor Arcing Risk Assessment Tool; Performance Bounds on Two Concatenated, Interleaved Codes; Parameterizing Coefficients of a POD-Based Dynamical System; Confidence-Based Feature Acquisition; Algorithm for Lossless Compression of Calibrated Hyperspectral Imagery; Universal Decoder for PPM of any Order; Algorithm for Stabilizing a POD-Based Dynamical System; Mission Reliability Estimation for Repairable Robot Teams; Processing AIRS Scientific Data Through Level 3; Web-Based Requesting and Scheduling Use of Facilities; AutoGen Version 5.0; Time-Tag Generation Script; PPM Receiver Implemented in Software; Tropospheric Emission Spectrometer Product File Readers; Reporting Differences Between Spacecraft Sequence Files; Coordinating "Execute" Data for ISS and Space Shuttle; Database for Safety-Oriented Tracking of Chemicals; Apparatus for Cold, Pressurized Biogeochemical Experiments; Growing B Lymphocytes in a Three-Dimensional Culture System; Tissue-like 3D Assemblies of Human Broncho-Epithelial Cells; Isolation of Resistance-Bearing Microorganisms; Oscillating Cell Culture Bioreactor; and Liquid Cooling/Warming Garment.

Source record↗
DOE OSTI2017

Site Identity and Importance in Cosubstituted Bixbyite In2O3

The bixbyite structure of In2O3 has two nonequivalent, 6-coordinate cation sites and, when Sn is doped into In2O3, the Sn prefers the “b-site” and produces a highly conductive material. When divalent/tetravalent cation pairs are cosubstituted into In2O3, however, the conductivity increases to a lesser extent and the site occupancy is less understood. We examine the site occupancy in the MgxIn2−2xSnxO3 and ZnxIn2−2xSnxO3 systems with high resolution X-ray and neutron diffraction and density functional theory computations, respectively. In these sample cases and those that are previously reported in the MxIn2−2xSnxO3 (M = Cu, Ni, or Zn) systems, the solubility limit is greater than 25%, ensuring that the b-site cannot be the exclusively preferred site as it is in Sn:In2O3. Prior to this saturation point, we report that the M2+ cation always has at least a partial occupancy on the d-site and the Sn4+ cation has at least a partial occupancy on the b-site. The energies of formation for these configurations are highly favored, and prefer that the divalent and tetravalent substitutes are adjacent in the crystal lattice, which suggests short range ordering. Diffuse reflectance and 4-point probe measurements of MgxIn2−xSnxO3 demonstrate that it can maintain an optical band gap >2.8 eV while surpassing 1000 S/cm in conductivity. Understanding how multiple constituents occupy the two nonequivalent cation sites can provide information on how to optimize cosubstituted systems to increase Sn solubility while maintaining its dopant nature, achieving maximum conductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Monitoring agroecosystem productivity and phenology at a national scale: A metric assessment framework

Effective measurement of seasonal variations in the timing and amount of production is critical to managing spatially heterogeneous agroecosystems in a changing climate. Although numerous technologies for such measurements are available, their relationships to one another at a continental extent are unknown. Using data collected from across the Long-Term Agroecosystem Research (LTAR) network and other networks, we investigated correlations among key metrics representing primary production, phenology, and carbon fluxes in croplands, grazing lands, and crop-grazing integrated systems across the continental U.S. Metrics we examined included gross primary productivity (GPP) estimated from eddy covariance (EC) towers and modelled from the Landsat satellite, Landsat NDVI, and vegetation greenness (Green Chromatic Coordinate, GCC) from tower-mounted PhenoCams for 2017 and 2018. Overall, our analysis compared production dynamics estimated from three independent ground and remote platforms using data for 34 agricultural sites constituting 51 site-years of co-located time series. Pairwise sensor comparisons across all four metrics revealed stronger correlation and lower root mean square error (RMSE) between end of season (EOS) dates (Pearson R ranged from 0.6 to 0.7 and RMSE from 32.5 to 67.8) than start of season (SOS) dates (0.46 to 0.69 and 40.4 to 66.2). Overall, moderate to high correlations between SOS and EOS metrics complemented one another except at some lower productivity grazing land sites where estimating SOS can be challenging. Growing season length estimates derived from 16-day satellite GPP (179.1 days) were significantly longer than those from PhenoCam G CC (70.4 days, p adj < 0.0001) and EC GPP (79.6 days, p adj < 0.0001). Landscape heterogeneity did not explain differences in SOS and EOS estimates. Annual integrated estimates of productivity from EC GPP and PhenoCam G CC diverged from those estimated by Landsat GPP and NDVI at sites where annual production exceeds 1000 gC/m –2 yr –1 . Based on our results, we developed a “metric assessment framework” that articulates where and how metrics from satellite, eddy covariance and PhenoCams complement, diverge from, or are redundant with one another. The framework was designed to optimize instrumentation selection for monitoring, modeling, and forecasting ecosystem functioning with the ultimate goal of informing decision-making by land managers, policy-makers, and industry leaders working at multiple scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

An Empirical Validation of a Constrained Bin Packing Algorithm for a Home Energy Management System

The increasing number of intelligent electrical appliances and home energy management systems provide a big opportunity for demand response services from residential and small commercial buildings to the grid. Simultaneously, direct control of individual devices by utilities can cause communication bottlenecks, as well as coordination and privacy concerns. These challenges can be addressed by combining the constituent devices into a single house battery equivalent for the purposes of demand response, using Minkowski sum and a 2d bin packing problem. However, the well-studied traditional problems have not been tested in a real house, as implementation carries significant challenges of its own. We deploy the packing problem on residential devices in a controllable house. We report the barriers we found, such as charge forecast and scalability of the algorithm, and discuss our solutions. The study serves as an intermediate step between existing theoretical research and possible future steps, such as prototype deployments of systems that provide residential demand response.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Preparing the FUSRAP Colonie Interim Storage Site for Transfer Back to the US Department of Energy Office of Legacy Management - 19215

The Formerly Utilized Sites Remedial Action Program (FUSRAP) Colonie Interim Storage Site was transferred from the US Department of Energy (US DOE) to the US Army Corps of Engineers (USACE) in 1997. The USACE initiated remediation efforts at the Site under FUSRAP. The Site was separated into three distinct operable units (OU) to more efficiently manage the remedial process: 1) Groundwater OU, 2) Main Site Soils OU, and 3) Vicinity Property OU. The USACE has completed remedial actions at each of these three OUs and has advanced the OU remedies at the Site to the long-term stewardship stage to be executed by the US DOE Office of Legacy Management (LM). The US DOE LM is the current real property owner of record of the Colonie Main Site. A summary of each OU and the activities needed to prepare for site transfer follows: OU 1 - USACE issued the Colonie Groundwater OU Record of Decision (ROD) (USACE 2010a) on April 9, 2010. The Groundwater ROD remedy is monitored natural attenuation (MNA) and long-term monitoring (LTM) of groundwater after source removal completion. Results of groundwater monitoring indicate reductions in concentrations of contaminants of concern (COC). Based on the marked progress to date, USACE has optimized the groundwater LTM program (USACE, 2014) by reducing the well network, sampling frequency, and analytical parameters, and by abandoning wells that are no longer needed. A Groundwater ROD Five-Year Review report was submitted to the New York State Department of Environmental Conservation (NYSDEC) for review in 2018. NYSDEC agreed that MNA is still an appropriate remedial method although it is progressing at a slower rate than predicted. OU 2 - From 1999 to 2007, USACE completed the large-scale removal of soil at the Main Site, which included the adjacent Town of Colonie Vicinity Property. Radioactively contaminated soil along with accessible metals-contaminated soil and soil containing volatile organic compounds (VOC) were removed during this effort. A total of 103,402 cubic meters (m{sup 3}) of soil was excavated and disposed offsite. On March 26, 2015, USACE signed the Main Site Soils OU ROD (USACE, 2015a). The ROD remedy included provisions for Land Use Controls (LUC) consisting of institutional controls (IC) through an Environmental Easement for management of three small and discrete inaccessible locations within three of the 27 Final Status Survey units of the Main Site. The Environmental Easement provides a means of protection based on both current and future land use by placing restrictions on soil excavation and reuse. The easement and a supporting Site Management Plan (SMP) will be finalized by LM in coordination with NYSDEC. OU 3 - the Vicinity Property OU ROD was signed on 20 September 2017. This ROD declared No Action (NA) for dust and No Further Action (NFA) for soil and other media for the Vicinity Properties. Prior to the ROD, USACE performed dust sampling and other characterization activities at representative commercial and residential Vicinity Property locations. These efforts were reported in the Colonie FUSRAP Site Vicinity Property Operable Unit Remedial Investigation Summary Report (USACE, 2016). A Site Closeout Report (SCOR) was issued to NYSDEC and approved in 2018. The approval of this report starts the transfer process back to the LM. Ongoing and future transfer activities include records retention and management, preparation and filing of real estate records, physical site management (fencing, landscape maintenance, well abandonment) and coordination with state regulators and LM staff. This presentation is intended to make all stakeholders aware of the necessary steps for site transfer from the USACE back to the LM. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Dynamic Catalysis Fundamentals: I. Fast calculation of limit cycles in dynamic catalysis

Dynamic catalysis—the forced oscillation of catalytic reaction coordinate potential energy surfaces (PES)—has recently emerged as a promising method for the acceleration of heterogeneously-catalyzed reactions. Theoretical study of enhancement of rates and supra-equilibrium product yield via dynamic catalysis has, to-date, been severely limited by onerous computational demands of forward integration of stiff, coupled ordinary differential equations (ODEs) that are necessary to quantitatively describe periodic cycling between PESs. Here, we establish a new approach that reduces, by ≳108×, the computational cost of finding the time-averaged rate at dynamic steady state (i.e. the limit cycle for linear and nonlinear systems of kinetic equations). Our developments are motivated by and conceived from physical and mathematical insight drawn from examination of a simple, didactic case study for which closed-form solutions of rate enhancement are derived in explicit terms of periods of oscillation and elementary step rate constants. Generalization of such closed-form solutions to more complex catalytic systems is achieved by introducing a periodic boundary condition requiring the dynamic steady state solution to have the same periodicity as the kinetic oscillations and solving the corresponding differential equations by linear algebra or Newton-Raphson-based approaches. The methodology is well-suited to extension to non-linear systems for which we detail the potential for multiple solutions or solutions with different periodicities. For linear and non-linear systems alike, the acute decrement in computational expense enables rapid optimization of oscillation waveforms and, consequently, accelerates understanding of the key catalyst properties that enable maximization of reaction rates, conversions, and selectivities during dynamic catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS) - Deliverable Task 7: Risk Assessment

The “Optimizing Alabama’s CO 2 Storage in Shelby County: Project OASIS” CarbonSAFE Phase II Project seeks to build on regional data sets that demonstrate that the subsurface within Shelby County, Alabama has the potential to store commercial volumes of CO 2 safely, permanently, and economically. The primary target CO 2 Storage Complex is the deep Ketona Dolomite located within a 140 square mile area of the Valley and Ridge Region of Alabama. This deep saline reservoir is beneath a confining system encompassing at least 6,500 ft of shales and other low permeability sediments. Project OASIS drilled a deep stratigraphic test well to confirm the geological properties of the confining system and storage reservoir(s) within the Storage Complex. The geological data was incorporated into numerical models to establish the areal extent of the CO 2 plume and help design the storage site and its monitoring system. The project is managed by the Southern States Energy Board (SSEB), an interstate compact organization consisting of governors and state legislative leaders from sixteen southern states, Puerto Rico, and the U.S. Virgin Islands, as well as an appointee by the President of the United States. The organizational compact provides it with access to state government organizations and legislatures. The Board also maintains an Associate Members program comprised of energy resource companies, utilities, trade groups, academic R&D science and technology experts and energy consultants. Further, the SSEB staff is experienced in managing and coordinating complex energy and environmental programs, from research programs to full-scale design and demonstrations of new and innovative technologies. Project OASIS is a public-private partnership of six entities with multiple principal investigators (PIs). SSEB’s Lead PI and Co-PI are responsible for all aspects of project performance in accordance with the DOE-NETL Cooperative Agreement. SSEB has issued subgrants to Advanced Resources International, Inc., Alabama A&M University, Auburn University, Crescent Resource Innovation, and Oklahoma State University. Advanced Resources International, Inc., issued subgrants to Baker Hughes and Loudon Technical Services for field services

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Designing Ceria/Alumina for Efficient Trapping of Platinum Single Atoms

Cerium oxide (ceria) has been shown to be very effective at trapping platinum atoms, due to formation of stable surface complexes at step edges, where coordinatively unsaturated cerium cations are present. But ceria loses its effectiveness when heated to high temperatures, due to loss of surface area and growth in particle size associated with sintering of the oxide. Being a rare-earth, and with limited supplies worldwide, it is important to develop methods to improve the effectiveness of ceria as a catalyst support. Here we explore the performance for trapping Pt atoms when the ceria is supported on a high surface area alumina carrier. This helps create a more sustainable catalyst formulation, especially if we can retain the high dispersion of Pt seen on ceria supports. For this work, we studied the atom trapping efficacy of ceria/alumina samples with increasing ceria content (8 wt% - 50%) and contrasted the behavior with pure ceria. Electron microscopy reveals that when dispersed on alumina, ceria is present in the form of crystalline nanoparticles as well as isolated cerium ions. These two forms of ceria differ markedly in their ability to trap Pt atoms. Atomically dispersed cerium is present in the form of Ce 3+ cations on alumina, however this form of ceria is not effective for trapping Pt atoms. Our results show that the atom trapped Pt resides primarily on crystalline ceria nanoparticles. CO oxidation was used as a probe reaction to evaluate the performance of these Pt AT /ceria-alumina catalysts. As a result, we conclude that over the range of ceria loadings we investigated, 50% ceria/alumina represents the optimal catalyst support for achieving high surface area and atom trapping efficiency while helping reduce the total ceria content in this catalyst system.

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

Secure Control Regions for Distributed Stochastic Systems with Application to Distributed Energy Resource Dispatch

With the increasing connectedness and interdependence of systems that are stochastic in nature, the issue of how to manage and coordinate them for safe operation has evidently become more important. In many networked system architectures, the system-wide output must be delicately managed, often within a prescribed set of bounds. In this paper, a novel control framework is proposed where the bounds on the outputs are translated into independent bounds on the controllable inputs of each subsystem. The main benefit of this framework is that respecting the individual control bounds suffices to guarantee that the system-wide outputs will remain within safe boundaries. Because the systems are assumed to be stochastic, the bounds on the output are introduced as probabilistic chance constraints. The benefits of this framework are demonstrated by applying it to the control of distributed energy resources in a distribution network where the main goal is to keep the voltage magnitudes within their prescribed bounds. The control bounds are evaluated using real data on an IEEE test system.

chance constrained optimization↗
DOE OSTI2022

Secure Control Regions for Distributed Stochastic Systems with Application to Distributed Energy Resource Dispatch: Preprint

With the increasing connectedness and interdependence of systems that are stochastic in nature, the issue of how to manage and coordinate them for safe operation has evidently become more important. In many networked system architectures, the system-wide output has to be delicately managed; often within a prescribed set of bounds. In this paper, a novel control framework is proposed where the bounds on the outputs are translated into independent bounds on the controllable inputs of each subsystem. The main benefit of this framework is that respecting the individual control bounds suffices to guarantee that the system-wide outputs will remain within safe boundaries. Since the systems are assumed to be stochastic, the bounds on the output are introduced as probabilistic chance constraints. The benefits of this framework are demonstrated by applying it to the control of distributed energy resources in a distribution networks where main goal is to keep the voltage magnitudes with their prescribed bounds. The control bounds are evaluated using real data on an IEEE test system.

chance constrained optimization↗
NASA NTRS2002

Mars Infrared Spectroscopy: From Theory and the Laboratory To Field Observations

The continuity and timely implementation of the Mars exploration strategy relies heavily on the ability of the planetary community to interpret infrared spectral data. However, the increasing mission rate, data volume, and data variety, combined with the small number of spectroscopists within the planetary community, will require a coordinated community effort for effective and timely interpretation of the newly acquired and planned data sets. Relevant spectroscopic instruments include the 1996 TES, 2001 THEMIS, 2003 Pancam, 2003 Mini-TES, 2003 Mars Express OMEGA, 2003 Mars Express PFS, and 2005 CFUSM. In light of that, leaders of the Mars spectral community met June 4-6 to address the question: What terrestrial theoretical, laboratory, and field studies are most needed to best support timely interpretations of current and planned visible infrared spectrometer data sets, in light of the Mars Program goals? A primary goal of the spectral community is to provide a reservoir of information to enhance and expand the exploration of Mars. Spectroscopy has a long history of providing the fundamental compositional discoveries in the solar system, from atmospheric constituents to surface mineralogy, from earth-based to spacecraft-based observations. However, such spectroscopic compositional discoveries, especially surface mineralogies, have usually come after long periods of detailed integration of remote observations, laboratory analyses, and field measurements. Spectroscopic information of surfaces is particularly complex and often is confounded by interference of broad, overlapping absorption features as well as confusing issues of mixtures, coatings, and grain size effects. Thus some spectroscopic compositional discoveries have come only after many years of research. However, we are entering an era of Mars exploration with missions carrying sophisticated spectrometers launching about every 2 years. It is critical that each mission provide answers to relevant questions to optimize the success of the next mission. That will not occur effectively unless the spectroscopic remote sensing data can be processed and understood on an approximate 2-year rate. Our current knowledge of spectral properties of materials and confounding effects of the natural environment are note well enough understood for the accurate interpretations needed for such ambitious and time critical exploration objectives. This workshop focused on identify ing critical gaps in moving the field towards the goal of rapid and accurate analysis and interpretation.

Kirkland, Laurel↗