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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 595 records · Page 33

pnnl-predictive-phenomics/csc052-gem

Genome-Scale Metabolic Model Continuous Validation with Memote for CarbStor Community Member Bacillus These repositories contain the continuous validation environment for an organism-specific genome-scale metabolic model (GEM) using Memote. Memote is a software tool that provides a suite of tests to ensure the quality and consistency of metabolic models. By integrating Memote into a continuous integration (CI) workflow, we can automatically validate updates to the GEM, ensuring that model modifications improve or maintain the model's integrity.

Torres, Victor E.↗

pnnl-predictive-phenomics/csc009-gem

Genome-Scale Metabolic Model of CarbStore Community member Curtobacterium (csc009) Continuous Validation with Memote These repositories contain the continuous validation environment for an organism-specific genome-scale metabolic model (GEM) using Memote. Memote is a software tool that provides a suite of tests to ensure the quality and consistency of metabolic models. By integrating Memote into a continuous integration (CI) workflow, we can automatically validate updates to the GEM, ensuring that model modifications improve or maintain the model's integrity

Lin, Tesia↗

EMSL-Computing/pspecterlib

Proteomics R package for matching peptide fragments for both digested and intact proteomics

Degnan, David [Pacific Northwest National Laborato↗

Extension of Complex Refractive Index Measurements to the Near-Infrared for Liquids: Methodology and Uncertainty Analysis

Optical identification of liquid droplets, aerosols, or thin films is important for many applications. While reference spectra are sometimes available for such measurements, they are not always applicable to the observed spectrum or the given sample morphology. Reference spectra for many forms can be modeled, however, if the n/k vectors (real and imaginary refractive indices) are available. In previous work we have reported protocols to determine the n/k vectors for dozens of liquids, primarily in the mid-infrared (MIR) spectral range from 7500 to 400 cm –1 . In this work we extend the spectral range into the near-infrared (NIR) region, demonstrating a method to measure and merge the data sets to create composite n/k data ranging from 10 000 to 400 cm –1 (1.0 to 25 µm) with absorbance fidelity spanning over four orders of magnitude, and vastly improved signal-to-noise in the NIR. The precision of the composite data is evaluated for three different liquids, focusing primarily on the steps for converting the raw absorbance spectra to k values. The variability in both MIR and NIR data as well as in the final n/k vectors is also investigated for several liquids. For typical liquids, the overall variability (reported as 2σ) in the final n and k-vectors is determined to be ∼0.4% and 3%, respectively. Finally, the derived n/k data are used to calculate absorbance spectra for aerosol droplets, showing marginal variability due to the typical measurement errors in the final n/k vectors.

47 OTHER INSTRUMENTATION↗

Loss Factors for Small Distributed Wind Turbines Based on Field Data in the United States

While wind energy production loss due to unavailability, environmental impacts, curtailment, and other causes has been studied and characterized at the utility-scale wind farm level, observation-based characterization of project loss is lacking for distributed wind energy, particularly for projects involving small wind turbines. Contemporary tools and research that support pre-construction distributed wind energy characterization present a wide range of default loss factors to convert gross energy estimates to net: 7-18%. We hypothesize that we can use generation observations from operational distributed wind projects to develop more accurate representations of loss. Using a density-based filtering technique on distributed wind power generation timeseries, we determine periods of typical performance and use them with regression algorithms in a measure-correlate-predict fashion to simulate what the generation would have been during periods of atypical or unreported performance. From there, the actual versus predicted generation leads to the establishment of observation-informed loss factors (median = 17%) for small, single turbine installation distributed wind projects.

17 WIND ENERGY↗

Grid Expansion Optimal Planning Tools (GridEO): Manual for Users and Developers

This report describes Grid Expansion Optimal Planning Tools (GridEO). GridEO is a Python package for electric power grid capacity expansion modeling. With GridEO, the user can build and solve instances of the Capacity Expansion Planning (CEP) problem to determine an optimal plan of investment in capacity of various types of power grid equipment.

24 POWER TRANSMISSION AND DISTRIBUTION↗

2024 Case Study: Hydrothermal Liquefaction of Biomass Sources at a Wastewater Treatment Facility

A case study was developed for the fiscal year 2024 to examine the potential of wastewater-grown microalgae as a feedstock for hydrothermal liquefaction (HTL) to produce fuels and other products. In this year’s case study, scenarios are investigated in which the algae cultivation process is placed at different points within the water resource recovery facility (WRRF). Additionally, the supply of biomass for HTL is boosted by blending with wastewater solids collected at different locations within the WRRF.

09 BIOMASS FUELS↗

ICP-MS For Analysis of Lithium Isotopic Ratios in Materials Highly Enriched in 7 Li (CRADA 626) Final Report

The intent of this project was to determine appropriate methodologies for analysis of lithium isotopes for 1) quasi-online monitoring of isotope separations, and 2) high-precision characterization of end-products, including lithium fluoride and lithium-beryllium fluoride (FLiBe). Traditionally, isotopic analysis requires the use of expensive, sophisticated instrumentation with often relatively long analytical timelines. We determined that the use of cheaper, smaller, and easier-to-operate instruments are sufficient for rapid analysis of lithium isotopes to monitor isotope separation efficiencies. In addition, we found that the analytical precision afforded by these lower-cost instruments is comparable to the more sophisticated (i.e., more expensive) instrumentation when the isotopic composition of lithium becomes highly depleted in 6Li. This finding will ultimately help lower costs of manufacturing of depleted lithium that is required for operation of certain designs of Generation IV nuclear reactors.

07 ISOTOPE AND RADIATION SOURCES↗

A Review of Carbon-14 Removal by Ion Exchange Resins and Potential Remediation Application in the 100-K Area

During operations at the U.S. Department of Energy Hanford Site, releases of chemical and radioactive waste resulted in contamination of the soil and groundwater beneath portions of the site, including inadvertent releases of carbon-14 in the 100-K Area. Ongoing environmental cleanup efforts in the 100-K Area are focused on hexavalent chromium [Cr(VI)] and thus have not yet addressed the two carbon-14 groundwater plumes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Improving durability and performance of solid oxide electrolyzers by controlling surface composition on oxygen electrodes

Solid oxide electrolysis cell (SOEC) is a promising technology for high-efficiency energy conversion, enabling the production of hydrogen, syngas, synthetic fuels, and various commodity chemicals. Unlike traditional thermochemical processes, SOECs operate at elevated temperatures (600-850°C), benefiting from favorable thermodynamics and reaction kinetics. This makes them highly energy efficient compared to alkaline or polymer electrolyte membrane (PEM) electrolysis technologies. However, despite these advantages, SOECs face significant challenges related to performance degradation over time. A primary issue is the degradation of the oxygen electrode due to strontium (Sr) segregation and impurity poisoning from chromium (Cr) and sulfur (S). This is because the pathway to deposition of Cr and S include the reaction of Cr and S with the segregated SrO at the surface. Sr segregation leads to the formation of insulating compounds such as SrCrO4 and SrSO4, which block active sites, reduce oxygen exchange rates, and compromise the electrode's electrochemical stability. The degradation mechanisms involve complex interactions between the electrode material's surface chemistry, microstructure, and the operating environment. Sr segregation is particularly problematic because it facilitates the deposition of Cr and S impurities, exacerbating performance losses. Addressing these issues is critical to enhancing the durability and economic viability of SOEC technology. The primary goal of this project is to improve the durability and performance of SOECs by controlling the surface composition of the oxygen electrode. This is achieved by suppressing Sr segregation, thereby mitigating impurity poisoning pathways. The project aims to enhance the oxygen exchange rate, improve cell stability, and extend the operational lifespan of SOECs without necessitating major changes to electrode chemistry or stack components.

30 DIRECT ENERGY CONVERSION↗

Optimal Control for Fast Frequency Response and Black-Start using Embedded Storages with Grid-Forming Control

The grid-forming inverter is regarded as the solution for integrating high levels of renewable resources into future power systems. Ensuring the stable operation of grids necessitates that grid-forming inverters offer fast frequency response. This report introduces an optimal control method that coordinates the embedded storage within the grid-forming control model with conventional synchronous generators. The optimized active power reference for the embedded storage is generated using receding horizon optimization control, aiming to keep the center of inertia frequency within acceptable limits. The effectiveness of the proposed control is verified through testing in the IEEE 39-bus system. In addition, with grid-forming capability, we will also investigate the application of using mobile embedded storages as black-start units to provide cranking power to energize non-blackstart generators in a black-start process.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Nanopore Activity Assays for Detection of Biomarker Protease Activity: Design and Testing of Substrates for Both Nanopore Sequencing and PCR-Based Detection Methods

The work performed in this project has demonstrated the ability to construct proteolytic enzyme substrates that are PCR and sequencing-readable reporter molecules. Specifically, the goal was to detect those reporter molecules via PCR and Oxford Nanopore Technologies MinION sequencing methods following exposure to the biomarker protease thrombin. The assay development focused on binding the constructed peptide-oligonucleotide chimera to immobilized streptavidin. The action of thrombin on the peptide portion of the molecule released the oligonucleotide for detection. Detection of protease activity was demonstrated in a concentration-dependent manner using MALDI-MS, RT-PCR and DNA sequencing. Additional steps to remove background release of reporter molecules during the assay was used to improve the difference in detected oligonucleotide reporter following protease activity. Additional steps in assay development will be to (1) test the assay in an appropriate matrix, (2) investigate detection using additional DNA sequencing platforms and (3) demonstrate multiplexed detection of multiple protease markers in a single reaction.

59 BASIC BIOLOGICAL SCIENCES↗

Strontium Speciation in Relevant Tank Waste Components Examined by Electrospray Ionization Mass Spectrometry

The identification of chemical species formed in complex nuclear waste is crucial for the development and employment of advanced separations technologies to remediate the Hanford site by processing tank waste. The current Tank Side Cesium Removal (TSCR) process deployed at Hanford utilizes crystalline silicotitanate (CST) ion exchange (IX) media to aid in the separation of low-activity waste for proper treatment and disposal. The inorganic IX media is highly selective for Cs but has been shown to also remove Sr from caustic simulants and small-scale IX processing of Hanford tank waste.(Fiskum, Rovira et al. 2019, Fiskum, Campbell et al. 2021, Westesen, Campbell et al. 2022) Quantitative Sr removal has not been observed in all tank waste supernates tested; thus, to better understand Sr removal and effectively predict processing behavior through TSCR, it is necessary to first investigate Sr speciation in tank waste. This work utilized electrospray ionization mass spectrometry (ESI-MS) to identify ionic Sr complexes that form in the presence of NO 3 –, NO 2 –, OH–, and Cl–. Although our results show that NO 3 –, NO 2 –, and OH– are competitive for Sr 2+ binding, previous data from IX studies indicate that [SrOH] + is not the dominant species of concern in tank waste processing schemes.(Fiskum, Campbell and Trang-Le 2020) Our results show that the [Sr(NO3)]+ species and the [Sr(NO2)] + species form in considerable abundances, which may affect the ability to separate Sr using CST in nuclear waste separation processes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of a Western U.S. Fusion Energy Commercialization Hub

Fusion energy, if successfully commercialized and globally adopted, could substantially increase U.S. energy dominance and provide essentially unlimited baseload power for the national grid. It also stands to provide the U.S. with a strong source of economic growth through the 2030s and 2040s, giving the U.S. a new and highly internationally competitive industry for export. Fusion can also provide the increased electrical power generation capacity required to power current and future artificial intelligence (AI) activities. In October 2024, the CleanTech Alliance held a fusion energy commercialization regional hub workshop alongside its annual Seattle Fusion Week conference. The event brought together fusion companies, researchers, economic development experts, federal and state government representatives, and power utilities from the western states of Washington, California, Colorado and Nevada. Attendees discussed the potential of regionally focused commercialization of fusion energy in three pillars: technology, workforce, and economic development. Mel Clark, President & CEO, CleanTech Alliance, and Dr. Javier Garay, Associate Dean for Research and Professor of Mechanical and Aerospace Engineering, at the University of California San Diego (UCSD) and Founding Director of the UCSD Fusion Engineering institute, are co-PIs for this project. The project is sponsored by the U.S. Department of Energy’s Office of Fusion Energy Sciences (FES) through a Field Work Proposal to Pacific Northwest National Laboratory (PNNL) with Karl Mueller as point-of-contact. Chris Ajemian (Principal, Ajemian Consulting, LLC) and Dr. Christopher Keane (Professor of Physics and former Vice-President for Research, Washington State University) co-organized the workshop and were the editors for this report. This report details the current state of the work of the four western states to develop industry-led collaboration with national laboratories, universities, and government at all levels to hasten the commercialization of fusion energy. It provides a summary of fusion energy R&D needs, presents the ideas the attendees at the workshop identified for deepening regional collaboration, and makes findings and recommendations for next steps.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Microgrid Handbook for Army Resilience: A Technical Review

The Army recognizes the need for its installations to operate as independently and efficiently as possible with secure energy and water resource that cannot be limited or shut off by external forces or events, whether natural or man-made . In an effort to make this possible, the Army has identified microgrids as an effective way to achieve the goal of secure power for operations, both for domestic and international installations. This document is designed to educate Army Installation leaders about what microgrids are, options for their components, financing, and operations, as well as other regulatory and technological considerations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

GCAM Regional Tuning: A framework to tune GCAM parameters

GCAM assumptions typically generate scenarios that are designed to be internally consistent and globally coherent. The gcamdata tool which facilitates the compilation of data sets and user assumptions is not well suited to tailoring to specific country or regional realities, sponsor requirements, or perform harmonization for model intercomparison needs. As described in this report, the GCAM Regional Tuning project develops a computational framework that enables users to adjust GCAM parameters, so model outputs match targeted outcomes at user-defined spatial, temporal, and sectoral resolutions. The framework integrates GCAM, gcamdata, and gcamwrapper with a set of flexible “tuning directives” and an iterative numerical solver. Users can define targets (e.g., technology shares in power generation, BEV uptake, sectoral service demands), select tuners that manipulate relevant GCAM parameters (e.g., share weights, cost adders, elasticities), and export tuned parameters as reusable GCAM XML inputs for future runs. We demonstrate the approach and document usage, diagnostics, and known limitations, and we outline potential future directions.

97 MATHEMATICS AND COMPUTING↗

Ion Exchange Processing of AW-105 Hanford Tank Waste through Crystalline Silicotitanate in a Staged 2- then 3-Column System

The Hanford Site stores an estimated 56 million gallons of mixed radioactive and chemically hazardous waste in large underground tanks. In support of the Direct Feed Low-Activity Waste (DFLAW) Program for expediting Hanford tank waste supernate treatment, laboratory-scale ion exchange processing using prototypic unit operations was conducted on AW-105 tank waste at the Pacific Northwest National Laboratory Radiochemical Processing Laboratory. This report describes the small-scale ion exchange testing with 9.2 L of diluted and filtered supernate from Tank 241-AW-105 (hereafter referred to as AW-105) at 16 °C (62 °F). One of the waste acceptance criteria (WAC) for the Waste Treatment Plant (WTP) Low-Activity Waste Facility is that the waste must contain less than 3.18×10 -5 Ci 137 Cs per mole of Na. For the AW-105 tank waste to meet this criterion, only 0.225% of the influent 137 Cs concentration may be delivered to the WTP; this requires a Cs decontamination factor of 445. Testing with AW-105 matched current Tank Side Cesium Removal (TSCR) facility prototypic operations where a lead-lag configuration was used until the lag column reached the WAC limit, then a polish column was brought online for continued processing in a lead-lag-polish column configuration. Feed was processed at 1.9 bed volumes (BVs) per hour; the flowrate, in terms of contact time with the crystalline silicotitanate (CST) bed, matched the expected flowrate at TSCR. The Cs-decontaminated product was retained for vitrification testing (to be reported separately). The lead column reached 83% Cs breakthrough after processing ~1500 BVs of feed; the 50% Cs breakthrough was interpolated from the breakthrough data and occurred at 1041 BVs. Despite the AW-105 having a significantly higher K concentration (0.55 M compared to 0.10 M), testing compared to previous AP-107 ion exchange column testing at 16 °C showed no difference in BVs processed to reach the WAC on the lead column and only an approximate ~20 BV decrease in volume processed to reach the WAC limit on the lag column. The negligible differences in capacity despite the 5x concentration differences in K was determined to be due to the significantly lower NO3 concentration in the AW-105 supernate compared to the AP-107 tank waste matrix. A comparison in breakthrough curves for the two tests also indicated slightly faster kinetic behavior in the AW-105, with the variations in feed matrices (lower NO3 concentration) likely responsible for the deviation. The Cs effluent from the lag column reached the WAC limit after processing 772 BVs. Anticipating this breakthrough point, the polish column was preemptively installed around 675 BVs. Cs breakthrough from the lag column began at 300 BVs, reaching 1.10×10 1 µCi/mL, or 14.13 % Cs breakthrough, after processing all 1500 BVs of feed. The polish column processed nominally 830 BVs and reached 2.10×10 -1 µCi/mL, or 0.27 % Cs breakthrough at the conclusion of the test. Table S.1 and Figure S.1 summarize the observed column performance and relevant Cs loading characteristics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Core Model Proposal #390: Base Year Update: Initial Updates Preparing for the New Base Year

GCAM's current base year – the last historical year used for calibration – 2015, is considerably lagged compared to the present year, indicating out-of-date assumptions about near-past state of the resources, commodities, and technologies represented in GCAM. This proposal makes data and code changes to enable updating the GCAM base year easier by making the processing code more flexible and robust.

97 MATHEMATICS AND COMPUTING↗