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DOE OSTI2022

Distributed Energy Resource Cybersecurity Standards Development [Final Report]

Currently, the solar industry is operating with little application-specific guidance on how to protect and defend their systems from cyberattacks. This 3-year Department of Energy (DOE) Solar Energy Technologies Office-funded project helped advance the distributed energy resource (DER) cybersecurity state-of-the-art by (a) bolstering industry awareness of cybersecurity concepts, risks, and solutions through a webinar series and (b) developing recommendations for DER cybersecurity standards to improve the security performance of DER products and networks. Drafting DER standards is a lengthy, consensus-based process requiring effective leadership and stakeholder participation. This project was designed to reduce standard and guide writing times by creating well-researched recommendations that could act as a starting place for national and international standards development organizations. Working within the SunSpec/Sandia DER Cybersecurity Workgroup, the team produced guidance for DER cybersecurity certification, communication protocol standards, network architecture s, access control, and patching. The team also led subgroups within the IEEE P 1547.3 Guide for Cybersecurity of Distributed Energy Resources Interconnected with Electric Power Systems committee and pushed a draft to ballot in October 2021.

14 SOLAR ENERGY↗

DOE OSTI2021

Data Quality of Salt Property Measurements

Data quality is a key element to assessing technical uncertainties in property values of salt mixtures that are pivotal in molten salt reactor (MSR) design and safety assessments under both normal operating conditions and accident scenarios. Key properties for the salt mixtures being evaluated for use in MSRs have not been measured and the few values for relevant salt compositions available in the literature are inconsistent and not suitable for use in licensing. The applications of established techniques commonly used for property measurements to molten salts are still experimental in nature and vetted consensus standards are not yet available. Work is in progress to develop and standardize methods through DOE and commercially funded projects. The quality of measured property values limits the current ability to reliably design equipment and model normal MSR operation and the effects of operational upsets. Insights from experimental measurements pertinent to reducing technical uncertainty for regulatory development are summarized in this report. Quality controls are recommended for key properties based on the mathematical calculations used to derive property values and methods used to measure experimental values and salt produced for use in the measurements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Evaluation of Distributed Power Apportioning with Net Load Management Engine in Microgrids Using Power Hardware-in-the-Loop Simulation

This article presents the performance evaluation of ratio consensus-based distributed power apportioning engine along with centralized net load management (NLM) engine that ensures viable and stable operation of an islanded microgrid. Managing net load variability in a microgrid with high penetrations of uncertain renewable generation and ever-changing load demands is a crucial need in order to ensure viable and stable operation of the microgrid. Centralized “dispatch-rule”-based and/or multi-agent-based distributed control of distributed energy resources (DERs) in microgrid are well accepted for microgrid by adapting ANSI/ISA-95-based hierarchical control architecture. In the application where microgrid network has large geographical span with multiple DERs dispersed in the network, high penetration of uncertain renewable energy resources, and ever-changing load demands, a judicious selection of techniques/solutions for managing net-load resources for maintaining viability and stability is required. With this motivation, this article proposes a novel solution to mitigate the challenges by incorporating a mixed centralized NLM engine and distributed power apportioning control of DERs and loads. A power-hardware-in-the-loop (PHIL) -based experiment is conducted with the centralized NLM engine and the distributed power apportioning engine along with two commercial inverters. The experimental results validates the efficacy of the proposed method in ensuring viability and stability of a microgrid.

hardware-in-the-loop simulation↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

Lean-burn gasoline and diesel engines can offer substantially higher fuel efficiency, good driving performance, and reduced carbon dioxide emission compared to stoichiometric gasoline engines. Various catalyst technologies have been developed to remove the pollutants from these engines. For example, a three-way catalyst (TWC) is used to remove hydrocarbons (HC), carbon monoxide (CO), and nitrogen oxides (NOx) from gasoline engines during the stoichiometric conditions. During the lean-burn conditions, a TWC or a diesel oxidation catalyst (DOC) is used to control HC and CO emissions. NOx is removed by either lean NOx trap catalyst (LNT) that can store NOx under lean conditions and reduce NOx under rich conditions, or selective catalytic reduction catalyst (SCR) that can selectively remove NOx with a reducing agent. Among the NOx reduction catalyst technologies, SCR offers a number of advantages, including excellent NOx reduction efficiency over a wide range of temperatures and overall lower system cost. In fact, the SCR technology using ammonia (NH3) as reductant has been proven effective and used commercially for the removal of NOx emissions from stationary sources since the 1970s. Currently, SCR is being used to meet the NOx emission standards for diesel engines in Europe and North America, and also being considered for meeting the future NOx emission standards for lean-burn gasoline engines. Because of the challenges associated with storage, handling and transportation of ammonia on a vehicle, aqueous urea solution (e.g., Diesel Exhaust Fluid, AdBlue) has been developed as ammonia storage compound for mobile applications. When the aqueous urea solution is sprayed into exhaust gas stream, urea is decomposed to release ammonia, which then reduces NOx over the downstream SCR catalyst. Although aqueous urea solution technology has enabled automakers and engine manufacturers to meet the current NOx emission standards, this process of releasing ammonia requires a hot exhaust gas and sufficient mixing, creating challenges for low temperature NOx emission control and aftertreatment system packaging. For these reasons, alternative technologies have been developed as ammonia sources (e.g., solid urea, ammonium carbamate, metal ammine chloride) during the past few years. These technologies promise more convenient handling and distribution of ammonia sources, and help maximize the low-temperature performance of SCR catalysts and reduce the overall system volume and weight. However, none of these alternative technologies can be successfully implemented without the industry consensus. Therefore, the USCAR SCR work group, which is comprised of representatives from GM, Ford, and Chrysler, has decided to investigate the potential alternative ammonia carriers, define common standard vehicle interfaces, and address personal and environmental safety concerns with part suppliers and chemical companies. Under this CRADA Project, USCAR and Battelle will investigate alternative ammonia carrier materials that are currently under development. Based on the data and information derived under the CRADA project, the USCAR SCR work group plans to build the consensus and make recommendations for the industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Investigation of Ammonia Carrier Materials for Next Generation Ammonia Dosing System - CRADA 334 (Abstract)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

CovS inactivation reduces CovR promoter binding at diverse virulence factor encoding genes in group A Streptococcus

The control of virulence gene regulator (CovR), also called caspsule synthesis regulator (CsrR), is critical to how the major human pathogen group A Streptococcus fine-tunes virulence factor production. CovR phosphorylation (CovR~P) levels are determined by its cognate sensor kinase CovS, and functional abrogating mutations in CovS can occur in invasive GAS isolates leading to hypervirulence. Presently, the mechanism of CovR-DNA binding specificity is unclear, and the impact of CovS inactivation on global CovR binding has not been assessed. Thus, we performed CovR chromatin immunoprecipitation sequencing (ChIP-seq) analysis in the emm1 strain MGAS2221 and its CovS kinase deficient derivative strain 2221-CovS-E281A. We identified that CovR bound in the promoter regions of nearly all virulence factor encoding genes in the CovR regulon. Additionally, direct CovR binding was observed for numerous genes encoding proteins involved in amino acid metabolism, but we found limited direct CovR binding to genes encoding other transcriptional regulators. The consensus sequence AATRANAAAARVABTAAA was present in the promoters of genes directly regulated by CovR, and mutations of highly conserved positions within this motif relieved CovR repression of the hasA and MGAS2221_0187 promoters. Analysis of strain 2221-CovS-E281A revealed that binding of CovR at repressed, but not activated, promoters is highly dependent on CovR~P state. CovR repressed virulence factor encoding genes could be grouped dependent on how CovR~P dependent variation in DNA binding correlated with gene transcript levels. Taken together, the data show that CovR repression of virulence factor encoding genes is primarily direct in nature, involves binding to a newly-identified DNA binding motif, and is relieved by CovS inactivation. These data provide new mechanistic insights into one of the most important bacterial virulence regulators and allow for subsequent focused investigations into how CovR-DNA interaction at directly controlled promoters impacts GAS pathogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Historic and modern nuclear graphite impurities: Pathways to improved waste strategies

Graphite has been used in large volumes as a structural material and neutron moderator since the earliest days of nuclear fission. However, no international consensus exists on the disposal of irradiated graphite, leaving much of the historic radioactive graphite inventory in interim vault or silo storage. With several new graphite-moderated reactors planned or under construction, the issue of graphite waste management is becoming increasingly urgent. This paper reviews and quantifies impurities in both historic and modern nuclear graphite, with emphasis on nitrogen—responsible for much of the 14 C inventory—and chlorine, which plays a critical role in repository performance and design. Modern graphites, benefitting from stringent quality-control measures developed for non-nuclear industries, meet or exceed the ASTM Ultra-High Purity nuclear standards, even without halide purification. Both chlorine and nitrogen concentrations have declined over time. For chlorine, identified as a key impurity influencing U.S. waste repository design, we propose a target of 0.1 appm in as-fabricated billets as a reasonable benchmark. Nitrogen sources are traced throughout the graphite production process, with surface and bulk concentrations characterized for all materials studied. Modern graphites commonly exhibit nitrogen levels below 5 appm, with values approaching 1 appm achievable. Using such reduced-nitrogen grades is critical to keeping graphite-induced radioactivity below the greater-than-Class-C waste threshold, thereby avoiding disposal cost penalties of nearly an order of magnitude.

Chlorine↗

DOE OSTI2021

Corrosion Testing Proposal -1: Assessment of the Corrosion of Stainless Steel Subjected to an Aqueous Solution of Hydrochloric Acid

This corrosion-test proposal outlines the methods to promote rapid pitting corrosion on various pitting resistant stainless steels under controlled conditions. This study can be performed in-whole or in- part as the Corrosion Working Group (CWG) leadership of the Los Alamos National Laboratory (LANL) deems pertinent. This proposal is in response to CWG’s need to understand the mechanisms and the possible detrimental failure of the 316L SAVY (an acronym that represents the first initial of the four co-developers, Stone, Anderson, Veirs, Yarbro) 4000 container design currently in service. This detrimental failure evolved from a question that the CWG arrived to by consensus as “What is the critical pit depth that would comprise the design wall-strength of the SAVY-4000?”

36 MATERIALS SCIENCE↗

DOE OSTI2022

Process-oriented analysis of dominant sources of uncertainty in the land carbon sink

The observed global net land carbon sink is captured by current land models. All models agree that atmospheric CO 2 and nitrogen deposition driven gains in carbon stocks are partially offset by climate and land-use and land-cover change (LULCC) losses. However, there is a lack of consensus in the partitioning of the sink between vegetation and soil, where models do not even agree on the direction of change in carbon stocks over the past 60 years. This uncertainty is driven by plant productivity, allocation, and turnover response to atmospheric CO 2 (and to a smaller extent to LULCC), and the response of soil to LULCC (and to a lesser extent climate). Overall, differences in turnover explain ~70% of model spread in both vegetation and soil carbon changes. Further analysis of internal plant and soil (individual pools) cycling is needed to reduce uncertainty in the controlling processes behind the global land carbon sink.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase

Recognition of promoters in bacterial RNA polymerases (RNAPs) is controlled by sigma subunits. The key sequence motif recognized by the sigma, the -10 promoter element, is located in the non-template strand of the double-stranded DNA molecule ~10 nucleotides upstream of the transcription start site. Here, we explain the mechanism by which the phage AR9 non-virion RNAP (nvRNAP), a bacterial RNAP homolog, recognizes the -10 element of its deoxyuridine-containing promoter in the template strand. The AR9 sigma-like subunit, the nvRNAP enzyme core, and the template strand together form two nucleotide base-accepting pockets whose shapes dictate the requirement for the conserved deoxyuridines. A single amino acid substitution in the AR9 sigma-like subunit allows one of these pockets to accept a thymine thus expanding the promoter consensus. Our work demonstrates the extent to which viruses can evolve host-derived multisubunit enzymes to make transcription of their own genes independent of the host.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Advancing Development of Emissions Detection (Final Report)

This document is the final report to the U.S. Department of Energy (DOE for contract DE-FE0031873) awarded to Colorado State University (CSU). CSU and partners at Harrisburg University of Science and Technology, University of Texas Arlington, and University of Texas at Austin organized several testing rounds to provide knowledge focused on advancing the detection capabilities of emissions monitoring devices. With this funding opportunity the research group began by establishing the Advancing the Development of Emission Detection (ADED) program, with the goal focused on enhancing the accuracy, reliability, and field applicability of methane detection technologies. This effort aimed to address the critical challenges of identifying and quantifying methane emissions while enabling industry stakeholders to meet regulatory compliance and environmental sustainability goals. The program engaged with industry, government, and technology stakeholders to promote adoption and consensus on testing techniques for methane detection solutions. Methane, a potent greenhouse gas, contributes significantly to global warming, and the oil and natural gas (O&G) sector is a primary source of methane emissions. Regulatory measures such as leak detection and repair (LDAR) programs have been implemented to address emissions. However, traditional LDAR approaches, reliant on handheld and component-level measurements, are resource-intensive. To address these limitations and move with evolving regulations, advanced methane technologies are emerging. These solutions include ground-based sensors, mobile systems (e.g., drones, vehicles, and aircraft), and satellite-based platforms. They offer innovative capabilities for autonomous monitoring, larger spatial coverage, and emission quantification using methods such as tracer gas techniques and inverse modeling with Gaussian plume analysis. The ADED program began with creating protocols for methane controlled release (CR) testing these continuous monitoring (CM) and survey technologies that detect and monitor methane emissions at O&G facilities. The protocols were then implemented throughout testing of CM and survey devices at CSU’s Methane Emissions Technology Evaluation Center (METEC) facility from 2021 through 2024. As apart of the protocol, solutions that tested under the ADED program installed their solutions at METEC, documented their system under test, and provided detection reports to the METEC team for analysis. The METEC team would provide the solutions with analyzed reports of their emissions and ground truth data of the releases conducted during their testing session. Under the ADED program, CMs were also tested at O&G facilities for a six week test run of challenge release (ChR) releases. The findings from the ADED program underscore the critical role of collaborative research and innovation in tackling methane emissions, offering a pathway for the oil and gas sector to achieve significant environmental and economic benefits. Results from METEC testing saw improvement of performance and accuracy across all solutions over the extent of the ADED experiments. The results also showed a variance in CM solution performance between CRs and ChRs. That variance pushed the team to further analyze the differences between CR testing environments and field conditions. With the drive from regulations and that variance in field conditions, the ADED team began designing a new CR testing protocol and additions to the METEC testing facility. The METEC team is furthering the progress made through the ADED program with awarded funding from DE-FE0032276. This funding pushes the development of METEC’s addition with new equipment, allowing for an updated facility layout. METEC still facilitates for traditional facilities, with a legacy pad, while expanding an new design based on how O&G infrastructure has Final Report - Contract Number: DE-FE0031873 been changed over the last decade. Throughout the ADED program the team has also been working with international partners to ensure staying in the trend globally. International partners have been essential in moving the new protocol forward to implement into CR testing at the METEC facility in Spring 2025.

42 ENGINEERING↗

DOE OSTI2024

Synthesis and characterization of isotopically barcoded nickel, molybdenum, and tungsten taggants for intentional nuclear forensics

Intentional nuclear forensics is a concept wherein the deliberate addition of benign and persistent material signatures to nuclear material can be used to reduce the time between the discovery of material outside of regulatory control and determination of its original provenance. One concept within intentional nuclear forensics involves the use of perturbed stable isotopes to generate unique isotope ratio “barcodes” to encode information (e.g., production batch, location, etc.) and track material throughout the nuclear fuel cycle. Synthesis of taggant species of nickel (Ni), molybdenum (Mo), and tungsten (W) was undertaken via a double-spike mechanism, wherein two highly enriched isotopes of interest per elemental taggant were mixed to form an enriched “double-spike” which was subsequently isotopically diluted with bulk material having a natural isotopic composition. Two taggant species perturbing isotopic ratios, alpha (α) and beta (β), for each of Ni, Mo, and W were synthesized. Independent measurements of double spikes and alpha and beta taggant species agreed within uncertainty and are clearly resolvable from natural compositions. High-precision analyses were independently performed by MC-ICP-MS at two U.S. National Laboratories, with consensus values and uncertainties calculated for all samples. Observed isotopic perturbations in the final taggant species measured on the order of hundreds to thousands of permille (‰) with respect to natural for isotope ratios of interest (e.g., 60 Ni/ 58 Ni, 100 Mo/ 98 Mo, 186 W/ 183 W). Discrepancies between modeled and measured isotopic compositions were observed and are largely attributed to imprecise vendor assay values for starting materials. Using measured starting material compositions as inputs for the mixing model improved the level of agreement between predicted and measured α and β taggant isotope ratios. Overall, characterization of all taggant species demonstrates that this “barcode” concept could have viability for use in nuclear forensics. Finally, it is expected that for any two-isotope mixing array dozens of isotopic barcodes could be encoded into a material system and subsequently resolved utilizing modern mass spectrometric methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2023

Blockchain for Fault-Tolerant Grid Operations Version 2.0

This report explores the potential of distributed ledger technology (DLT) as a transformative tool to enhance fault-tolerant operations in electrical distribution systems. Leveraging DLT's core attributes, including an immutable decentralized ledger, distributed consensus mechanisms, and state replication capabilities, this study focuses on three critical use cases. A central aspect of this research centers on the utilization of a consensus-driven ledger, providing actors within the system, such as distributed resources, with access to a reliable data repository. This empowers these actors to collaborate effectively and make informed decisions, all securely recorded on the blockchain. The first use case concentrates on data configuration, utilizing mathematical criteria---particularly, the chi-squared test for gross error detection---to identify trustworthy sensors for advanced decision-making. Building upon this foundation of trust, the second use case, topology identification, accurately determines circuit breaker states, unveiling the distribution network's topology. Ultimately, the third use case leverages this trust to execute switching actions, reconfiguring feeders and restoring power to disconnected customers after fault events. The concept of trust serves as a cornerstone in this approach, marking a departure from traditional fault location, isolation, and service restoration (FLISR) methods. Additionally, the blockchain-based architecture introduces decentralization, empowering disconnected areas to make autonomous decisions, even when communication with a central control center is disrupted. The primary contributions of this report are twofold: (1) a novel approach for evaluating distribution system voltage areas while preserving data ownership and (2) the implementation of interactions between distribution network areas using the actor model. Unlike the previous sequential approach for evaluating the area connection voltages, which required a radial network topology, this study's area model reduction enables a more versatile approach. The area model reduction addresses issues of prolonged data waiting times and multiple points of failure within the previous approach. Notably, the presented evaluation for the reduced network model area connection reveals a significant increase in the differences in voltage magnitudes. Simulation and evaluation of area agents across four distinct cases elucidate the area-level interaction behavior during a fault event. Simulations demonstrate that the proposed distributed FLISR (DFLISR) approach can successfully restore service to an affected area. Varying message delays and message loss probabilities in each simulation case underscore their impacts on restoration times, ranging from 3 min and 32 s to 6 min and 19 s. In contrast, power is not restored in an area in one of our simulation cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Predicted Impacts of Pt and Ionomer Distributions on Low-Pt-Loaded PEMFC Performance

Low-cost, high performance proton exchange membrane fuel cells (PEMFCs) have been difficult to develop due to limited understanding of coupled processes in the cathode catalyst layer (CCL). Low-Pt-loaded PEMFCs suffer losses beyond those predicted solely due to reduced catalyst area. Although consensus links these losses to thin ionomer films in the CCL, a precise mechanistic explanation remains elusive. In this publication, we present a physically based PEMFC model with novel structure-property relationships for thin-film Nafion, validated against PEMFC data with low Pt loading. Results suggest that flooding exacerbates kinetic limitations in low-loaded PEMFCs, shifting the Faradaic current distribution. As current density increases, protons travel further into the CCL, resulting in higher Ohmic overpotentials. We also present a parametric study of CCL design parameters. We find that graded Pt and ionomer loadings reduce Ohmic losses and flooding, but individually do not provide significant improvements. However, a dual-graded CCL (i.e., graded Pt and ionomer) is predicted to significantly improve the maximum power density and limiting current compared to uniformly loaded CCLs. This work highlights the importance of accurate transport parameters for thin-film Nafion and provides a pathway to low-cost PEMFCs via precise control of CCL microstructures.

08 HYDROGEN↗

DOE OSTI2024

Materials Science of the Interstitial Doping Process

Particle accelerators are an increasingly important tool for frontier science. Growing initial and operating costs are a significant barrier for upgrades and for new machines. While everything matters, the major cost contributor is the SRF cavities and their ancillary facilities (e.g., cryoplant). Accordingly, the accelerator science community devotes much R&D effort to improving their energy efficiency (increased Q o ) and gradient (E acc ). While improved gradient is at the forefront for certain machines (ILC), improved quality factor has broader impact, benefitting all SRF applications. An important opportunity for accelerator science and technology to move forward arose in the course of building the LCLS-II, the second generation Linac Coherent Light Source at SLAC. At more or less the same time, researchers at Fermilab discovered that introducing a small amount of nitrogen to the niobium surface could improve the mid-range quality factor as much as three-fold. A firm resolution of how nitrogen confers its benefit attracts much current research interest. The key elements of the “nitrogen doping” process were vacuum bake at 800 °C, brief exposure to mTorr of nitrogen at several hundred degrees followed by electropolish (EP) to remove several microns from the surface to eliminate unwanted nitrides: While the process as a whole was novel, the comprising unit operations are familiar to the accelerator community. It was judged reasonable to adopt it as a cost-reduction technology for LCLS-II. Researchers carried out a program of varying process parameters and measuring performance in single-cell cavities, leading to a consensus stable protocol for the project. The transition to vendor fabrication and multiple niobium sources has presented unforeseen challenges of performance variation evidently not connected to anything that could be incorporated in a purchase specification. Moving beyond the high temperature N-doping process above, researchers reported a simplified process consisting entirely of tens of hours anneal in a N atmosphere at low temperatures (~120°C – 160°C) after 800 °C UHV bake. These processes typically yield a few-nm doped layer while the high temperature process yields at least a few to many micron doped layer. Even more recently, oxygen has been used to dope instead of nitrogen which leaves a few-µm O-alloyed layer upon vacuum annealing for 300 °C for ~3 hours. The investigation of these materials is just beginning, but the process simplification they may offer is surely attractive. The very low quantity of material that appears to be significant in the “infusion” process indicates the need for very careful control of gas species available for diffusion into the surface during low temperature treatment, both for process control and research to characterize the underlying dynamics. Oxygen alloying offers the further opportunity to utilize the decomposition of the surface native oxide as the dopant source. It is necessary to understand and (thus) manage this process. We have been supported by the Department of Energy Offices of High Energy Physics and Nuclear Physics to pursue this goal.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Four principles to establish a universal virus taxonomy

A universal taxonomy of viruses is essential for a comprehensive view of the virus world and for communicating the complicated evolutionary relationships among viruses. However, there are major differences in the conceptualisation and approaches to virus classification and nomenclature among virologists, clinicians, agronomists, and other interested parties. Here, we provide recommendations to guide the construction of a coherent and comprehensive virus taxonomy, based on expert scientific consensus. Firstly, assignments of viruses should be congruent with the best attainable reconstruction of their evolutionary histories, i.e., taxa should be monophyletic. This fundamental principle for classification of viruses is currently included in the International Committee on Taxonomy of Viruses (ICTV) code only for the rank of species. Secondly, phenotypic and ecological properties of viruses may inform, but not override, evolutionary relatedness in the placement of ranks. Thirdly, alternative classifications that consider phenotypic attributes, such as being vector-borne (e.g., “arboviruses”), infecting a certain type of host (e.g., “mycoviruses,” “bacteriophages”) or displaying specific pathogenicity (e.g., “human immunodeficiency viruses”), may serve important clinical and regulatory purposes but often create polyphyletic categories that do not reflect evolutionary relationships. Nevertheless, such classifications ought to be maintained if they serve the needs of specific communities or play a practical clinical or regulatory role. However, they should not be considered or called taxonomies. Finally, while an evolution-based framework enables viruses discovered by metagenomics to be incorporated into the ICTV taxonomy, there are essential requirements for quality control of the sequence data used for these assignments. Combined, these four principles will enable future development and expansion of virus taxonomy as the true evolutionary diversity of viruses becomes apparent.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Investigation of Defect Physics for Efficient, Durable and Ubiquitous Perovskite Solar Modules (Final Technical Report)

Organometal halide perovskite solar cells have experienced eye-catching improvements in its recent few years. It serves as one of the most promising candidates to replace the currently widely used silicon-based solar modules. To implement its final step to the real application, functional longevity becomes the dernier continent to conquer. As a polycrystalline material, defect plays critical role in the efficiency and stability of the perovskite solar cells. Thus, the investigation of the defect physics of the perovskite layer is indispensable in this research field. However, hard evidence and a consensus are still lacking in terms of the specific nature of the defects and their effects on performance and hysteresis, and perhaps even more importantly, there is absence of fundamental understanding of the correlations between the defects and long-term operational stability of the device. A more fundamental understanding of the nature of defects in perovskite materials is of paramount importance to progress their efficiency and durability. In this work we propose in-depth studies of correlations of defects with performance and stability of perovskite solar cells. Our project aimed 1) to investigate the defects physics in perovskite solar cells, and 2) to develop a comprehensive understanding and physical model of defects and its influence on performance and stability of perovskite solar cells. With the support from program manager, Peter Lobaccaro, and the Solar Energy Technologies Office of U.S. Department of Energy, the project ends with impact achievements. Our research results have systematically provided strategies to analyze the influences of constructive molecular configurations to the charged defects in the perovskite lattices and developed in-depth understanding of chemical additive approach to improve the perovskite solar cell performance and stability. As history has shown us, control over defect properties of semiconductor materials is the key to achieving high performance and low cost devices. Therefore, the potential impact of unlocking the understanding and manipulation of defects in perovskites is great, enabling this technology to realize SETO goals. The research project is highly productive with 18 published papers in three years in top-level journals such as Science, Nature, Nature Materials, Nature Communications, Journal of American Chemistry Society, Joule, Advanced Materials, and Nano Letters. These works have drawn great attention nationwide with notable total citations over 700 times from 2020 to 2022.

14 SOLAR ENERGY↗

DOE OSTI2023

IACMI Project 4.7: Pultruded Textile Carbon Fiber for Spar Caps (Final Report)

The primary objective of this project was to demonstrate the potential to significantly reduce the cost of wind turbine blades with carbon fiber reinforced polymer (CFRP) structure. Applicability of textile carbon fibers (TCF) were evaluated for use in pultruded spar cap (SC) elements as a path to cost reduction for utility scale wind turbine blades. In earlier work for the Department of Energy (DOE) Wind Energy Technologies Office (WETO), a collaboration of Sandia National Laboratory (SNL), Oak Ridge National Laboratory (ORNL), and Montana State University has demonstrated potential for pultruded TCF to compete with infused fiberglass and commercially available carbon fiber pultruded sections for spar cap construction. In the design cases evaluated, the TCF sections fared well when compared on cost per unit composite stiffness and cost per unit composite compressive strength for those designs [1]. Both stiffness and compressive strength tend to be key factors in the design of blade composite Spar Cap which carry the bulk of the blade structural loads in bending. Spar Cap design tends to distribute largely symmetric tensile and compressive stresses to opposite sides of the spar structure, but since carbon fiber composite compressive strength is typically 20-50% lower than tensile strength, the compressive loading reaches failure levels well before the tensile loading. Stiffness is critical in containing the large tip deflection in high wind loading situations. However, materials and process development were very limited in the earlier study and the work in this project was expanded to make the comparative information more representative of what will be required in order to make further inroads towards implementation. Similar to that study, this project team confirmed that the primary materials of interest for pultruded spar cap elements should be thermoset (TS) resins reinforced by carbon fibers, utilizing as high a percentage of TCF as practical to benchmark cost and performance against commercial carbon fibers. To make the closest comparison possible and eliminate specific test article size, resin selection, and equipment/operational nuance effects, the team planned to pultrude sections with 100% commercially available carbon fiber (Panex 35 carbon fiber from Zoltek) as well as samples utilizing high fractions of TCF. The resin system chosen was based on formulations recommended by large wind industry supplier Hexion and consisted of Hexion resin RSL-4597, curing agent CCA-138, and internal mold release additive 117, along with common kaolin filler ASP400P from BASF. As commonly deployed in spar cap configurations, the team had a mold built to pultrude a rectangular spar cap element of 100mm width and 3mm thickness. The extremely limited number of samples produced for the earlier study were produced with a “generic” epoxy utilized for a variety of applications by the pultruder contracted to produce test articles for demonstration purposes. More importantly, those samples were produced at a fiber fraction only slightly over 50%. Based on feedback from our industrial advisory team for that project and strongly recommended by this project team, the consensus is that it is highly desirable to obtain fiber fractions of 65-68% for significant penetration in wind blade spar cap. Although this requirement has yet to be exhaustively confirmed in readily available information, this was established as a project goal and informally decided we needed to exceed 60% fiber fraction to gain serious industry consideration. Previous TCF pultrusion trials have been challenged by the lack of robust TCF packages, resulting in non-uniform tension across and between tows, as well as excess labor and waste for removal of interleaved paper. The non-uniform tension and associated intermingling of tows in textile acrylic fiber tows and associated difficulties created from broken filaments in carbon fiber conversion inhibit the ordered packing necessary to enhance fiber fraction elevation. (These “cross-overs” are not considered undesirable for textile applications and there is some sense that they might be advantageous for those applications). In addition to work that is ongoing at the acrylic fiber manufacturers to improve their formats, The Institute of Advanced Composites Manufacturing Innovation (IACMI) Project 6.12 (report PA16-0349-6.12-01) [2] has developed and demonstrated a more robust packaging and creeling approach that at least partially addresses these issues, thus improving control of the TCF feed into the pultrusion unit. It was hoped that these and other improvements currently being implemented would allow us to achieve fiber fractions at least approaching these fiber fraction targets. During this project, sections utilizing 100% commercially available carbon fiber reinforcement were produced as a baseline, as well as sections reinforced with about 94% TCF and the balance being commercially available fiber for comparison. The most important finding was that similar to results reported in the earlier WETO-funded project and results from tests of TCF reported at IACMI meetings, this work demonstrated that sections pultruded with TCF in an epoxy resin frequently utilized in actual spar cap production had stiffness and compressive strengths largely comparable to similar sections pultruded with a commercially available carbon fiber also frequently utilized in the wind industry. Although the amount of that data is limited, some of the tensile strength results were actually closer than would have been expected based on fiber strength results provided by the TCF and commercial fiber producers. The actual test data are reported and discussed in detail in Section 5. The pultruded sections dominated by TCF reinforcement were approximately 8-10% lower in fiber fraction than for the sections produced using commercial fiber alone, making direct comparison difficult. The COVID-19 project has provided significant insight into the current state-of-the-art with various TCF product forms. The data obtained in this project will guide the planned improvements at the precursor level, especially in attaining uniform tensioning and payout to facilitate enhanced fiber fractions and overall processability of the TCF composites. The project team is providing guidance to stakeholders concerning the attributes, needs, and potential demand for TCF in wind blade spar caps. Results achieved in this project are consistent with findings in the related work cited [1] and support this guidance and the high potential for this product type. TCF precursor-producing partners continue to express interest in enhancing their product forms and the team looks forward to working with these improved materials as they become available.

42 ENGINEERING↗