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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 OSTI2022

Potential for Transactive Energy to Improve the Provisioning of Grid Services from Batteries

This study assessed the degree to which transactive energy systems could help reduce or remove barriers to the deployment of battery energy storage, and realize the full potential of battery resources to supply needed services to the grid and fairly compensate various types of battery owners. To enable this assessment, typical battery deployments were characterized, along with energy markets, Federal Energy Regulatory Commission Order rulings and implementations, grid services, and current deployment barriers. Finally, this study analyzed the value that accrues to batteries supplying today’s grid services as a function of the participation models associated with three primary types of battery ownership: merchant-owned transmission-connected batteries; utility-owned distribution-connected batteries; and customer-owned behind-the-meter batteries. This provided both quantitative and qualitative assessments comparing opportunities for battery storage in business-as-usual and transactive energy scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗
DOE OSTI2026

Offshore Wind Farm Turbine and Energy Storage Optimization

Abstract This paper evaluates the technical and economic feasibility of repurposing decommissioned offshore oil and gas platforms as electrical substations for offshore wind projects in the U.S. Gulf of America, a region characterized by relatively low and highly variable wind speeds, extensive legacy offshore infrastructure, and exposure to merchant electricity markets. A unified techno-economic framework is developed using the Repurposing Offshore Infrastructure for Continued Energy (ROICE) Economic Model (REM) to integrate Gulfspecific wind resource assessment, commercial wind turbine performance, offshore infrastructure cost modeling, and wholesale electricity market exposure. Gulf wind speed data are vertically extrapolated to turbine hub height and combined with manufacturer power curves to compute annual energy production and capacity factors across a broad portfolio of commercial turbines, enabling identification of turbine designs best suited for low-wind offshore environments. Hourly electricity price data from the Midcontinent Independent System Operator (MISO) day-ahead market are incorporated to characterize revenue potential, price volatility, and the temporal alignment between wind generation and market conditions. In addition, a conceptual framework for offshore battery energy storage system (BESS) integration is developed to support future investigation of market-responsive energy shifting at repurposed platforms. Results from the turbine evaluation demonstrate that machines with lower cut-in wind speeds and earlier ‘rated-power’ characteristics significantly outperform larger, industry-standard offshore turbines for the same net power under Gulf wind conditions, underscoring the need for region-specific technology selection. Market analysis further reveals substantial price variability and limited intrinsic alignment between wind production and high-price periods, motivating consideration of operational flexibility mechanisms. While storage optimization is not implemented in this study, the REM framework establishes a transparent and replicable foundation for co-evaluating turbine selection, infrastructure constraints, and market exposure, providing a practical pathway for assessing the potential role of repurposed offshore platforms in enabling economically viable offshore wind development in the Gulf of America.

02 PETROLEUM↗
DOE OSTI2023

HarDWR - Raw Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. In order to hold a water right in the western United States, an entity, (e.g., an individual, corporation, municipality, sovereign government, or non-profit) must register a physical document with the state's water regulatory agency. State water agencies each maintain their own database containing all registered water right documents within the state, along with relevant metadata such as the point of diversion and place of use of the water. All western U.S. states have digitized their individual water rights databases, along with the geospatial data describing the spatial units where water rights are managed. Each state maintains and provides their own water rights data in accordance with individual state regulations and standards. We collected water rights databases from 11 western United States states either by downloading them from publicly accessible web portals, or by contacting state water management representatives; detailed descriptions of where and when the data was collected is provided in the README.txt, as well as Lisk et al.(in review). This collection of data are those raw water rights. Each state formats their data differently, meaning that file types, field availability, and names vary from state to state. Note, the data provided here reflects the state of the water rights databases at the time we collected the data; updates have likely occurred in many states. Some pieces of information are common among all states. These are: priority date, volume or flow of water allowed by the right, stated water use of the right, and some means of identifying the geography and source of the water pertaining to the right - typically the coordinates of the Point of Diversion (PoD) of a waterbody or well. Arizona regulates water in a different way than the other 10 states. Outside of some relatively small critical agricultural areas called Active Management Areas (AMAs), Arizona does not maintain any water rights. However, the state does require registration of surface and groundwater pumping devices, which includes disclosing the mechanical specifics of the devices. We used these records as a proxy for water rights. Each state, and their respective water right authorities, have made their water right records available for non-commercial reference uses. In addition, the states make no guarantees as to the completeness, accuracy, or timeliness of their respective databases, let alone the modifications which we, the authors of this paper, have made to the collected records. None of the states should be held liable for using this data outside of its intended use. In addition, the following states have requested specifically worded disclaimers to be included with their data. Colorado: "The data made available here has been modified for use from its original source, which is the State of Colorado. THE STATE OF COLORADO MAKES NO REPRESENTATIONS OR WARRANTY AS TO THE COMPLETENESS, ACCURACY, TIMELINESS, OR CONTENT OF ANY DATA MADE AVAILABLE THROUGH THIS SITE. THE STATE OF COLORADO EXPRESSLY DISCLAIMS ALL WARRANTIES, WHETHER EXPRESS OR IMPLIED, INCLUDING ANY IMPLIED WARRANTIES OF MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE. The data is subject to change as modifications and updates are complete. It is understood that the information contained in the Web feed is being used at one's own risk." Montana: "The Montana State Library provides this product/service for informational purposes only. The Library did not produce it for, nor is it suitable for legal, engineering, or surveying purposes. Consumers of this information should review or consult the primary data and information sources to ascertain the viability of the information for their purposes. The Library provides these data in good faith but does not represent or warrant its accuracy, adequacy, or completeness. In no event shall the Library be liable for any incorrect results or analysis; any direct, indirect, special, or consequential damages to any party; or any lost profits arising out of or in connection with the use or the inability to use the data or the services provided. The Library makes these data and services available as a convenience to the public, and for no other purpose. The Library reserves the right to change or revise published data and/or services at any time." Oregon: "This product is for informational purposes and may not have been prepared for, or be suitable for legal, engineering, or surveying purposes. Users of this information should review or consult the primary data and information sources to ascertain the usability of the information." The available data is provided as a series of compressed files, which each containing the full data collected from each state. Some of the files have been renamed, to more easily know which state the data belongs to. The file renaming was also required as some files from different states had the same name. In other cases, the data for a state has been placed in a folder indicating which state it belongs to - as the state organized its data by selected subregions. Below is a brief description of the format of the collected data from each state. ArizonaRights_StatementOfClaimants: A folder containing a database of interconnected CSV files. The soc_erd.pdf file contains a visual flowchart of how the various files are connected, beginning with SOC_MAIN.csv in the center of the page. ArizonaRights_SurfaceWaterRightsData: A folder containing a database of a single Shapefile and 10 associated CSVs. SurfaceWater.pdf contains a visual flowchart of how the various files are connected, beginning with ADWR_SW_APPL_REGRY.csv. ArizonaRights_Well55Registry: A folder containing a database of a single Shapefile and 59 associated CSVs. Wells55.pdf contains a visual flowchart of how the various files are connected, beginning with WellRegistry.shp. CaliforniaRights_eWRIMS_directDatabase: A folder containing a collection of four "series" Microsoft Excel files, as either XLS or XLSX. The four "series": byCounty, byEntity (what type of legal entity holds the right), byUse (stated water use), and byWatershed, are various methods by which the California water rights are organized within the state's database. However, it was observed that by only collecting a single series, not all water rights were being provided. So, essentially, the majority of records within each "series" are copies of each other, with each "series" containing some unique records. ColoradoRights_NetAmounts: A folder containing 78 CSV files, with one file per Colorado Water District. IdahoRights_PointOfDiversion: A Shapefile containing the Points of Diversion for the entire state of Idaho. IdahoRights_PlaceOfUse: A Shapefile containing the Place of Use polygons for the entire state of Idaho. MontanaRights_WaterRights: A Geodatabase file containing the Points of Diversion and Places of Use for the entire state of Montana. The name of the Points of Diversion Feature Layer within the Geodatabase is "WRDIV", and the name of the Places of Use Feature Layer is "WRPOU". NevadaRights_POD_Sites: A Shapefile containing the Points of Diversion for the entire state of Nevada. NewMexicoRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of New Mexico. OregonRights_state_shp: A folder containing 36 Shapefiles and are split between "pod" (Point of Diversion) and "pou" (Place of Use) for each water management basin within Oregon. In other words, each basin has one "pod" file and one "pou" file. The "pod" files are point shapes, and the "pou" files are polygons. UtahRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of Utah. WashingtonRights_WaterDiversions_ECY_NHD: A Geodatabase file containing both the Points of Diversion for the entire state of Washington. The name of the Feature Layer within the Geodatabase is "WaterDiversions_ECY_NHD". WyomingRights: A folder containing four subdirectories, one for each Wyoming Water Division. Each Division directory includes a varying number of subdirectories for each Wyoming Water District. Each District folder contains two copies of the Point of Diversion records for that area, with one copying being in CSV and one copy in Microsoft Excel XLS format.

Lisk, Matthew↗
DOE OSTI2020

HarDWR - Raw Water Rights Records

A dataset within the Harmonized Database of Western U.S. Water Rights (HarDWR). For a detailed description of the database, please see the meta-record v2.0. Changelog v2.0 - Switched source data from collecting records from each state independently to using the WestDAAT dataset v1.0 - Initial public release Description In order to hold a water right in the western United States, an entity, (e.g., an individual, corporation, municipality, sovereign government, or non-profit) must register a physical document with the state's water regulatory agency. State water agencies each maintain their own database containing all registered water right documents within the state, along with relevant metadata such as the point of diversion and place of use of the water. All western U.S. states have digitized their individual water rights databases, as well as geospatial data defining the areas in which water rights are managed. Each state maintains and provides their own water rights data in accordance with individual state regulations and standards. In addition, while all states make their water rights publicly available, each provides their records in unique formats, meaning that file types, field availability, and terms vary from state to state. This leads to additional challenges to managing resources which cross state lines, or conducting consistent multi-state water analyses. For the first version of HarDWR, we collected the water rights databases from 11 Western States of the United States. In order to preform regional analyses with the collected data, the raw records had to be harmonized into one single format. The Water Data Exchange (WaDE) is a program dedicated to the sharing of water-related data for the Western U.S. in a singular consistent format. Created by the Western States Water Council (WSWC) to facilitate the collection and dissemination of water data among WSWC's member states and the public, WaDE provides an important service for those interested in water resource planning and management in their focus region. Of the services which WaDE provides, the one of the most interesting is the WestDAAT dataset, which is a collection of water rights data provided by the 18 WSWC member states that have been standardized into a single format, much like we had done on a more limited scale with HarDWR v1. For this version of HarDWR we decided to use WestDAAT, specifically a snapshot created in Feburary 2024, as our water rights source data. A full explanation of the benefits gained from this switch can be found in the description of the updated Harmonized Water Rights Records v2.0, but in short it has allowed us to focus more of our efforts on answering research questions and gaining a more realistic understanding of how water rights are allocated. For more information on how the data for WestDAAT was collected, please see the WaDE data summary. Terms of Use While WaDE works directly with the state agencies to collect and standardize the water rights records, the ultimate authority for the water rights data remains the individual states. Each state, and their respective water right authorities, have made their water right records available for non-commercial reference uses. In addition, the states make no guarantees as to the completeness, accuracy, or timeliness of their respective databases, let alone the modifications which we, the authors of this paper, have made to the collected records. None of the states should be held liable for using this data outside of its intended use. As several of the states update their water rights databases daily, the information provided here is not the latest possible, and should not be used for legal purposes. WestDAAT itself has irregular updates. Additional questions about the data the source states provided should be directed to the respective state agencies (see methods.csv and organization.csv files described below). In addition, although data was presented here was not collected directly from the states, several states requested specifically worked disclaimers when sharing their data. These disclaimers are included here as an acknowledgement from where the water rights data is primarily sourced. Colorado: "The data made available here has been modified for use from its original source, which is the State of Colorado. THE STATE OF COLORADO MAKES NO REPRESENTATIONS OR WARRANTY AS TO THE COMPLETENESS, ACCURACY, TIMELINESS, OR CONTENT OF ANY DATA MADE AVAILABLE THROUGH THIS SITE. THE STATE OF COLORADO EXPRESSLY DISCLAIMS ALL WARRANTIES, WHETHER EXPRESS OR IMPLIED, INCLUDING ANY IMPLIED WARRANTIES OF MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE. The data is subject to change as modifications and updates are complete. It is understood that the information contained in the Web feed is being used at one's own risk." Montana: "The Montana State Library provides this product/service for informational purposes only. The Library did not produce it for, nor is it suitable for legal, engineering, or surveying purposes. Consumers of this information should review or consult the primary data and information sources to ascertain the viability of the information for their purposes. The Library provides these data in good faith but does not represent or warrant its accuracy, adequacy, or completeness. In no event shall the Library be liable for any incorrect results or analysis; any direct, indirect, special, or consequential damages to any party; or any lost profits arising out of or in connection with the use or the inability to use the data or the services provided. The Library makes these data and services available as a convenience to the public, and for no other purpose. The Library reserves the right to change or revise published data and/or services at any time." Oregon: "This product is for informational purposes and may not have been prepared for, or be suitable for legal, engineering, or surveying purposes. Users of this information should review or consult the primary data and information sources to ascertain the usability of the information." File Descriptions The unmodified February, 2024 WestDAAT snapshot is composed of nine files. Below is a brief description of each file, as well as how they were utilized for HarDWR. WaDEDataDictionaryTerms.xlsx: As the file's name implies, this is a data dictionary for all of the below named files. This file describes the column names for each of the following files, with the exception of citation.txt which does not have any columns. The descriptions for each file are divided by tab,with the same name as their associated file, within this document. allocationamount.csv: The "main" file of the group, it contains the water right records for each state. Of particular note, each water right is broken down into one or more water allocations. Allocations may be withdrawn from one or more locations, or even multiple allocations associated with a particular location. This is a more subtle and realistic representation of how water is used than what was available in the first version of HarDWR. For the records from some states, this can mean that multiple allocations listed under a single right will appear as rows within this file. citation.txt: A combination of contact information for WaDE personnel, disclaimer about how the data should be used, and guidelines for citing WestDAAT. methods.csv: A file describing the source and method by which WaDE collected water rights data from each state. organization.csv: A file listing the water rights authoritative agencies for each state. sites.csv: This file provides the geographic, and other descriptors, of the physical location of allocations, called 'sites'. To reiterate, it is possible for one allocation to be associated with multiple sites, as well as one site to be associated with multiple allocations. The two descriptors which we were most interested in where the site's coordinates, as well as whether the site was classified as a Point of Diversion (POD) or a Place of Use (POU). As a general rule, PODs are geographic points, while POUs are areas typically represented as property boundaries or irregularly shaped polygons. sites_pouGeometry.csv: For those allocations with a POU site, this file contains the defining points for the associated polygons. variables.csv: A file describing the units in which an allocation's water amount is reported within WestDAAT. This information is essentially a repeat of the 'AllocationFlow_CFS' and 'AllocationVolume_AF' columns within allocationamount.csv, at least for our purposes. watersources: This file describes the source of water from which each site extracts from. For our purposes, this table was used to determine whether the water came from Surface Water, Groundwater, or Unspecified Water.

Lisk, Matthew↗
DOE OSTI2023

NREL 25-cm2 High-Pressure Low-Temperature Electrolysis Cell Hardware (Open Source)

This data resource describes an open-source cell hardware that enables low temperature electrolysis (LTE) testing at elevated pressures. Existing commercial options have several downsides when it comes to R&D testing. They are often not designed for repeated reassembly, may not be able to accommodate porous transport layers with different thicknesses, and do not give state-of-the-art performance. Therefore, this hardware was developed specifically with LTE R&D in mind and its design is being made available to the global LTE community. This work was planned and funded by the U.S. Department of Energy's H2NEW consortium (https://h2new.energy.gov/). The hardware design package (.zip file) details the drawings, auxiliary materials, and procedures required to fabricate, assemble, and operate the National Renewable Energy Laboratory's (NREL's) high-pressure low-temperature electrolysis cells. While the hardware itself—end plates, current collectors, flow fields, bolts and washers, tube fittings—is always the same, the assembly and operating procedures may change depending on the active materials being tested, especially for the membrane. Material-specific assembly and operating procedures will be posted to the H2NEW website as they are developed and validated. Disclaimer: The documents and drawings included in this download package describe a design for a low temperature electrolysis hardware that is intended to comply with leak testing according to ASME B31.1. Safe operation at ambient and elevated pressures is the sole responsibility of the end user, which should be evaluated on a case-by-case basis for each individual cell. Factors affecting the sealing capability may depend on, for example, machining quality, cell assembly components, operating conditions, and operating history. Operation at pressure should only be performed on qualified test stands by qualified operators. NREL/ALLIANCE FOR SUSTAINABLE ENERGY, LLC/DOE DISCLAIM ALL WARRANTIES, EXPRESS OR IMPLIED, INCLUDING THE WARRANTIES OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE, AND MAKES NO WARRANTY AS TO THE ACCURACY, COMPLETENESS, OR USEFULNESS OF ANY INFORMATION PROVIDED HEREIN. USE OF THIS PACKAGE IS AT THE USER’S OWN RISK.

08 HYDROGEN↗
DOE OSTI2020

Techno-Economic Analysis for GTI's Compact Hydrogen Generator

A technoeconomic analysis of the compact hydrogen generator compared to a traditional steam methane reformer (SMR) was performed for both processes with and without carbon capture. The project goal for the technoeconomic analysis was to demonstrate a minimum of 20% lower CAPEX and 15% lower levelized cost of hydrogen compared to SMR with and without carbon capture. GTI obtained baseline capital and costs for the SMR with and without and methodology to calculate the levelized cost of hydrogen from an IEAGHG Technical Report: 2017-02 Techno-Economic Evaluation of SMR Based Standalone (Merchant) Hydrogen Plant with CCS. This methodology was then applied to GTI’s compact hydrogen generator using direct material costs previously obtained from a reputable engineering procurement and construction company, CB&I Howe-Baker. The analysis was performed for plants producing 90MMSCFD (million standard cubic feed per day) of hydrogen. Direct material costs were converted to total installed costs and total capital requirements using the same multiplying factors for both processes. We have found that the direct materials cost of the compact hydrogen generator is less than half the direct materials cost required for SMR without capture, and about one quarter the direct materials cost of SMR with carbon capture. This low materials cost translates into a significant CAPEX savings and lower levelized cost of hydrogen that exceed the goals of the techno-economic assessment. We have found that the CHG has a 43% lower installed cost and capital requirement compared to SMR without capture, that results in a levelized cost of hydrogen that is 19% lower than SMR. When 90% CO2 capture is added to the plants, the advantages is even better. The CHG has a 51% lower installed and capital requirement compared to SMR with capture, resulting in a 28% lower levelized cost of hydrogen. A sensitivity analysis was performed and showed natural gas feedstock cost and discount rate to be the main contributors to hydrogen price sensitivity. Given these significant cost advantages, GTI is encouraged to continue to develop the technology and market the economic advantages as well as the efficiency gains and ability to inherently capture CO2.

08 HYDROGEN↗
DOE OSTI2022

Impact of Tree Age and Anatomical Fraction on Forest Residue Pyrolysis and Hydrotreating

Utilization of cost-advantaged biomass and waste resources to produce clean, domestic biofuels will be a key factor in decarbonizing transportation in the United States. This study investigates how the distribution of anatomical fractions (stem wood, bark, needles, branches) from pine forest residues of different ages impacts pyrolysis and hydrotreating processes, including product composition, carbon efficiency, economics, and overall sustainability. Commercially sourced 13- and 23-year-old loblolly pine residues were chosen to represent available resources; whole tree thinnings, and tops and branches from merchantable timber, respectively. Detailed characterization of the residue samples, product distributions, bio-oil, char, and gas characterization data are presented for 13 experiments, including the individual fractions, blends, and air-classified samples to reduce ash content. Pyrolysis mass balances averaged 97 +/- 3%. As expected, bio-oil yields were lower for the bark, needles, and blends with high proportions of these (53-56% dry basis), and highest for the debarked stem wood (67-71% dry basis). Lower yields were attributed to the high ash content of the needles, but also to the high lignin content in the bark (>50%), which is hypothesized to have led to increased char formation during pyrolysis. Higher-oil yield was generally correlated with total volatiles, hydrogen, oxygen, glucan, and mannan; somewhat correlated with xylan and acetyl content; and negatively correlated with total carbon, fixed carbon, nitrogen, sulfur, and extractives. Air classification of the residues was effective in reducing ash content (1.5% to 0.64%), extractives (~7% to 2%), and sulfur (0.04% to 0.02%), resulting in a small increase in yield, a significant increase in the GC-detectable proportion of oil (27% to 34%) and a net economic benefit. These experimental results were used to conduct technoeconomic and life cycle analyses, which are also summarized here.

biofuels↗
DOE OSTI2024

Biofuels as Heavy Fuel Oil Substitutes in the Maritime Sector: Findings and Potential Pathways

The United States Department of Energy has commissioned four national laboratories to evaluate the feasibility of biofuels in the maritime sector. This effort is briefly described including the overall project goals, structure and aims. The large two-stroke crosshead engines used to power large merchant vessels were of particular interest since they can burn lower combustion quality fuels relative to four-stroke engines. This characteristic allows for consideration of pyrolysis oils and hydrothermal liquefaction (HTL) oils which are feedstock agnostic and, in the raw state, are more economical compared to distillate drop-in fuels. Pyrolysis and HTL oils are collectively known as bio-intermediates since they require additional processing for use in distillate fuel systems. The key limiting feature is that these bio-intermediate fuels will cause asphaltene precipitation when blended with heavy fuel oils (HFOs) such as very low sulfur fuel oil (VLSFO) unless they are upgraded to remove water and oxygenates. Economics are the key driver at this point in time, and preliminary techno-economic analyses (TEAs) indicate that bio-intermediates have potentially lower cost relative to other biofuels such as biodiesel and renewable diesel. Additionally, life cycle analyses (LCAs) of feedstocks and pathways show the life cycle carbon reduction benefit relative to heavy fuel oils. In addition to TEA and LCA results, we also present on the technical feasibility of these fuels. These studies have focused on the properties of biofuel blends with VLSFO that are critical to the fuel systems of maritime vessels fueled with HFOs. These properties include the compatibility with fuel system metals, viscosity, and blend stability. Aging studies with blends of VLSFO with biodiesel, HTL, and pyrolysis oils are also presented. Future efforts being planned to conduct additional biofuel testing, including the use of biofuels as pilot fuels in zero carbon shipping options fueled with ammonia and methanol, ship-based demonstrations, and bioresource competition studies.

Kass, Michael↗
DOE OSTI2023

Pumping Iron: A Multi-omics Analysis of Two Extremophilic Algae Reveals Iron Economy Management

Marine algae are responsible for half of the world's primary productivity, but this critical carbonsink is often constrained by insufficient iron. One species of marine algae, Dunaliella tertiolecta, isremarkable for its ability to maintain photosynthesis and thrive in low-iron environments. A relatedspecies, Dunaliella salina Bardawil, shares this attribute but is an extremophile found in hypersaline environments. To elucidate how algae manage their iron requirements, we produced highquality genome assemblies and transcriptomes for both species to serve as a foundation for acomparative multi-omics analysis. We identified a host of iron-uptake proteins in both species,including a massive expansion of transferrins and a novel family of siderophore-iron uptakeproteins. Complementing these multiple iron-uptake routes, ferredoxin functions as a large ironreservoir that can be released by induction of flavodoxin. Proteomic analysis revealed reducedinvestment in the photosynthetic apparatus coupled with remodeling of antenna proteins bydramatic iron-deficiency induction of TIDI1, a light harvesting complex protein found also in otherchlorophytes. These combinatorial iron scavenging and sparing strategies make Dunaliellaunique among photosynthetic organisms

iron homeostasis, phytoplankton, Iron starvation i↗
DOE OSTI2023

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

The open-source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic properties of chemical species, high-pressure limit reaction rate coefficients, and pressure-dependent rate coefficient over multi-well molecular potential energy surfaces (PES) including the effects of collisional energy transfer on phenomenological kinetics. Arkane can use estimates to fill in information for molecules or reactions where quantum chemistry information is missing. The software solves the internal energy master equation for complex unimolecular reaction systems. Inputs to the software include converged electronic structure computations performed by the user using a variety of supported software packages (Gaussian, Molpro, Orca, TeraChem, Q-Chem, Psi4). The software outputs high-pressure limit rate coefficients and pressure-dependent phenomenological rate coefficients, as well as computed thermodynamic properties (enthalpy, entropy, and constant pressure heat capacity) with added energy corrections. Some of the key features of Arkane include treatment of 1D, 2D or ND hindered internal rotation modes, treatment of free internal rotation modes, quantum tunneling effect consideration, transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) rate coefficient computations, master equation solution with four implemented methods, inverse-Laplace transform of high-pressure limit rate coefficients into the energy domain, energy corrections based on bond-additivity or isodesmic reactions, automated and efficient PES exploration, and PES sensitivity analysis. The present work describes the design of Arkane, how it should be used, and refers to the theory that it employs. Arkane is distributed via the RMG-Py software suite (https://github.com/ReactionMechanismGenerator/RMG-Py).

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

An optimized ChIP-Seq framework for profiling histone modifications in Chromochloris zofingiensis

The eukaryotic green alga Chromochloris zofingiensis is a reference organism for studying carbon partitioning and a promising candidate for the production of biofuel precursors. Recent transcriptome profiling transformed our understanding of its biology and generally algal biology, but epigenetic regulation remains understudied and represents a fundamental gap in our understanding of algal gene expression. Chromatin immunoprecipitation followed by deep sequencing (ChIP-Seq) is a powerful tool for the discovery of such mechanisms, by identifying genome-wide histone modification patterns and transcription factor-binding sites alike. Here, we established a ChIP-Seq framework for Chr. zofingiensis yielding over 20 million high-quality reads per sample. The most critical steps in a ChIP experiment were optimized, including DNA shearing to obtain an average DNA fragment size of 250 bp and assessment of the recommended formaldehyde concentration for optimal DNA-protein cross-linking. We used this ChIP-Seq framework to generate a genome-wide map of the H3K4me3 distribution pattern and to integrate these data with matching RNA-Seq data. In line with observations from other organisms, H3K4me3 marks predominantly transcription start sites of genes. Our H3K4me3 ChIP-Seq data will pave the way for improved genome structural annotation in the emerging reference alga Chr. zofingiensis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An Algal Nutrient‐Replete, Optimized Medium for Fast Growth and High Triacylglycerol Accumulation

Microalgae are promising sources to sustainably meet the global needs for energy and products. Algae grow under different trophic conditions, where nutritional status regulates biosynthetic pathways, energy production, and growth. The green alga Chromochloris zofingiensis has strong economic potential because it co-produces biofuel precursors and the high-value antioxidant astaxanthin while accumulating biomass when grown mixotrophically. As an emerging reference alga for photosynthesis, metabolism, and bioproduction, C. zofingiensis needs a defined, optimized medium to standardize experiments during fast growth for batch cultivation. Because the interplay of glucose treatment (+Glc) and mineral deficiency influences photosynthesis, growth, and the production of lipids and astaxanthin, we designed a replete nutrient medium tailored to the C. zofingiensis cellular ionome. We combined inductively coupled plasma mass spectrometry (ICP-MS) and +Glc growth curves to determine a medium that is nutrient replete for at least 5 days of +Glc logarithmic growth. We found that there are high nutritional needs for phosphorus and sulfur during mixotrophy. Iron was the only element measured for which the cellular concentration correlated with exogenous concentration and was iteratively adjusted until the cellular ionome was consistent through the logarithmic growth phase. This Chromochloris-Optimized Ratio of Elements (CORE) medium supports fast growth and high biomass and lipid accumulation without causing excess nutrient toxicity. This defined, nutrient-replete standard is important for future C. zofingiensis investigations and can be adapted for other species to support high biomass for batch cultivation. The method used to develop CORE medium shows how ionomics informs replicable media design and may be applied in industrial settings to inform cost-effective biofuel production.

Jeffers, Tim L. [University of California, Berkele↗
DOE OSTI2024

Chlamydomonas cells transition through distinct Fe nutrition stages within 48 h of transfer to Fe-free medium

Low iron (Fe) bioavailability can limit the biosynthesis of Fe-containing proteins, which are especially abundant in photosynthetic organisms, thus negatively affecting global primary productivity. Understanding cellular coping mechanisms under Fe limitation is therefore of great interest. For this paper, we surveyed the temporal responses of Chlamydomonas ( Chlamydomonas reinhardtii ) cells transitioning from an Fe-rich to an Fe-free medium to document their short and long-term adjustments. While slower growth, chlorosis and lower photosynthetic parameters are evident only after one or more days in Fe-free medium, the abundance of some transcripts, such as those for genes encoding transporters and enzymes involved in Fe assimilation, change within minutes, before changes in intracellular Fe content are noticeable, suggestive of a sensitive mechanism for sensing Fe. Promoter reporter constructs indicate a transcriptional component to this immediate primary response. With acetate provided as a source of reduced carbon, transcripts encoding respiratory components are maintained relative to transcripts encoding components of photosynthesis and tetrapyrrole biosynthesis, indicating metabolic prioritization of respiration over photosynthesis. In contrast to the loss of chlorophyll, carotenoid content is maintained under Fe limitation despite a decrease in the transcripts for carotenoid biosynthesis genes, indicating carotenoid stability. These changes occur more slowly, only after the intracellular Fe quota responds, indicating a phased response in Chlamydomonas, involving both primary and secondary responses during acclimation to poor Fe nutrition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Genetically pliable green algae for bioproduction of modified fatty acids, nutritional therapeutic oils, and biopharmaceuticals

Homologous recombination (HR) is an essential tool for complex metabolic engineering in yeast, but transgene integration into plant and green algal nuclear genomes predominantly occurs by non-homologous end-joining. Species of the closely related, oleaginous trebouxiophytes Auxenochlorella and Prototheca, are unusual among the green algae in that HR is the favored mechanism for DNA integration into the nuclear genome. This property enables locus-specific targeting of gene cassettes encoding multiple enzymes for manipulating existing biochemical pathways or introducing new functions. Genetic malleability, and regulatory approval for human consumption, coupled with robust fermentation performance at industrial scale, establishes Auxenochlorella and Prototheca as prime candidates for algal production of biochemicals and biomaterials. The examples presented here highlight strain improvement and engineering for synthesis of hydroxylated fatty acids for biomaterials, structured triglycerides resembling human milk fat for infant nutrition, very-long-chain mono- and polyunsaturated fatty acids with nutraceutical or therapeutic potential, and cannabinoids for pharmacological applications.

Moseley, Jeffrey L. [University of California, Ber↗