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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

Analysis of the ARTIC Version 3 and Version 4 SARS-CoV-2 Primers and Their Impact on the Detection of the G142D Amino Acid Substitution in the Spike Protein

The ARTIC Network provides a common resource of PCR primer sequences and recommendations for amplifying SARS-CoV-2 genomes. The initial tiling strategy was developed with the reference genome Wuhan-01, and subsequent iterations have addressed areas of low amplification and sequence drop out. Recently, a new version (V4) was released, based on new variant genome sequences, in response to the realization that some V3 primers were located in regions with key mutations. Herein, we compare the performance of the ARTIC V3 and V4 primer sets with a matched set of 663 SARS-CoV-2 clinical samples sequenced with an Illumina NovaSeq 6000 instrument. We observe general improvements in sequencing depth and quality, and improved resolution of the SNP causing the D950N variation in the spike protein. Importantly, we also find nearly universal presence of spike protein substitution G142D in Delta-lineage samples. Due to the prior release and widespread use of the ARTIC V3 primers during the initial surge of the Delta variant, it is likely that the G142D amino acid substitution is substantially underrepresented among early Delta variant genomes deposited in public repositories. In addition to the improved performance of the ARTIC V4 primer set, this study also illustrates the importance of the primer scheme in downstream analyses.

59 BASIC BIOLOGICAL SCIENCES↗

Safe and Private Forward-trading Platform for Transactive Microgrids

Power grids are evolving at an unprecedented pace due to the rapid growth of distributed energy resources (DER) in communities. These resources are very different from traditional power sources, as they are located closer to loads and thus can significantly reduce transmission losses and carbon emissions. However, their intermittent and variable nature often results in spikes in the overall demand on distribution system operators (DSO). To manage these challenges, there has been a surge of interest in building decentralized control schemes, where a pool of DERs combined with energy storage devices can exchange energy locally to smooth fluctuations in net demand. Building a decentralized market for transactive microgrids is challenging, because even though a decentralized system provides resilience, it also must satisfy requirements such as privacy, efficiency, safety, and security, which are often in conflict with each other. As such, existing implementations of decentralized markets often focus on resilience and safety but compromise on privacy. In this article, we describe our platform, called TRANSAX, which enables participants to trade in an energy futures market, which improves efficiency by finding feasible matches for energy trades, enabling DSOs to plan their energy needs better. TRANSAX provides privacy to participants by anonymizing their trading activity using a distributed mixing service, while also enforcing constraints that limit trading activity based on safety requirements, such as keeping planned energy flow below line capacity. We show that TRANSAX can satisfy the seemingly conflicting requirements of efficiency, safety, and privacy. We also provide an analysis of how much trading efficiency is lost. Trading efficiency is improved through the problem formulation, which accounts for temporal flexibility, and system efficiency is improved using a hybrid-solver architecture. Lastly, we describe a testbed to run experiments and demonstrate its performance using simulation results.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks

The acceleration of scientific computation, data analytics, and artificial intelligence is driving a surge in computational requirements. Yet, state-of-the-art high-performance computing systems are approaching physical limitations that impede further significant improvements in energy efficiency. As we move towards post-exascale computing systems, innovative approaches are necessary to overcome this barrier in power consumption. Novel analog and hybrid digital-analog architectures hold promise for enhancing energy efficiency by several orders of magnitude. Biochemical computation stands out among the various solutions being explored due to its potential to enable new classes of devices with immense computational capabilities. These devices can capitalize on the inherent efficacy of biological cells in solving optimization problems and are scalable through increasing reaction system size or vessel capacity, potentially satisfying scientific computing's high-performance requirements. Nonetheless, several theoretical and practical limitations persist, including problem formulation and mapping to chemical reaction networks (CRNs) and implementation of actual CRN devices. In this paper, we propose a framework for biochemical computation using systems chemistry. We present the initial components of our approach: an abstract chemical reaction dialect implemented as a multi-level intermediate representation (MLIR) compiler extension and a pathway to represent mathematical problems with CRNs. To showcase the potential of this approach, we emulate a simplified chemical reservoir device. This work lays the groundwork for leveraging chemistry's computing potential in creating energy-efficient, high-performance computing systems tailored to contemporary computational needs.

artificial intelligence↗

Unlocking Scholarly Insights: Leveraging Machine Learning Approaches for Citation Analysis and Intent Classification

Publicly funded organizations, notably institutions like the Los Alamos National Laboratory (LANL), are deeply vested in acquiring robust productivity metrics to gauge the entirety of their research output. Motivated by the imperative to enhance institutional productivity assessment, this study investigates the utilization of Large Language Models (LLM) such as BERT-based models, as well as local LLaMa-30b-instruct and Mixtral-8x7b-instruct architectures for classifying type of URL referenced resources in academic papers such as software, dataset, as well as authorship intent. Challenges in discerning resource types from context are highlighted, along with the potential of BERT and LLMs to address these challenges. Through comprehensive analysis, this research unveils a notable surge in documents featuring URL citations, indicative of the escalating importance of digital resources in scholarly publications. Moreover, citations to datasets and software demonstrate consistent growth over time, underscoring their increasing significance. Our findings also reveal that LANL authors contribute substantially to accessible science, comprising about 10% of dataset and software mentions in LANL

Large Language Models, BERT, citation classificati↗

AI-Powered Knowledge Graphs for Neuromorphic and Energy-Efficient Computing

The surge in scientific literature obscures breakthroughs and hinders the discovery of new research paths. We propose an artificial intelligence (AI) powered framework using large language models (LLMs) and knowledge graphs (KGs) to automate parts of scientific discovery, focusing on energy-efficient AI circuits. Our hybrid approach combines LLMs, structured data, and ontology-based reasoning to construct a comprehensive knowledge graph that integrates insights across computational neuroscience, spiking neuron models, learning rules, architectural motifs, and neuromorphic device technologies. This multi-domain representation enables the generation of hypotheses that connect biological function with implementable, energy-efficient hardware architectures. Using KG embeddings and graph neural networks, the framework generates hypotheses for novel circuits, validates them through optimization on exascale HPC systems, and with tools like SuperNeuro and Fugu, the most promising designs will be prototyped in hardware. This open-source system aims to accelerate discoveries and bridging neuroscience with hardware innovation, drive collaboration, and unlock new opportunities in low-power AI computing.

Gautam, Ashish [ORNL]↗

I/O in Machine Learning Applications on HPC Systems: A 360-degree Survey

Growing interest in Artificial Intelligence (AI) has resulted in a surge in demand for faster methods of Machine Learning (ML) model training and inference. This demand for speed has prompted the use of high performance computing (HPC) systems that excel in managing distributed workloads. Because data is the main fuel for AI applications, the performance of the storage and I/O subsystem of HPC systems is critical. In the past, HPC applications accessed large portions of data written by simulations or experiments or ingested data for visualizations or analysis tasks. ML workloads perform small reads spread across a large number of random files. This shift of I/O access patterns poses several challenges to modern parallel storage systems. In this paper, we survey I/O in ML applications on HPC systems, and target literature within a 6-year time window from 2019 to 2024. We define the scope of the survey, provide an overview of the common phases of ML, review available profilers and benchmarks, examine the I/O patterns encountered during offline data preparation, training, and inference, and explore I/O optimizations utilized in modern ML frameworks and proposed in recent literature. Lastly, we seek to expose research gaps that could spawn further R&D.

97 MATHEMATICS AND COMPUTING↗

Optogenetics Illuminates Applications in Microbial Engineering

Optogenetics has been used in a variety of microbial engineering applications, such as chemical and protein production, studies of cell physiology, and engineered microbe–host interactions. These diverse applications benefit from the precise spatiotemporal control that light affords, as well as its tunability, reversibility, and orthogonality. This combination of unique capabilities has enabled a surge of studies in recent years investigating complex biological systems with completely new approaches. We briefly describe the optogenetic tools that have been developed for microbial engineering, emphasizing the scientific advancements that they have enabled. In particular, we focus on the unique benefits and applications of implementing optogenetic control, from bacterial therapeutics to cybergenetics. Lastly, we discuss future research directions, with special attention given to the development of orthogonal multichromatic controls. With an abundance of advantages offered by optogenetics, the future is bright in microbial engineering.

59 BASIC BIOLOGICAL SCIENCES↗

( Invited ) Ruggedness of SiC and GaN Power Transistors in Switching Based Tests

Currently, a spectrum of reliability tests are being performed by both device manufacturers and end users. Many of these qualification tests are operated within the device safe-operating-area (SOA), however, the devices often undergo dynamic events in many converter applications that can exceed the SOA boundaries. This paper presents our recent work on quantifying the out-of-SOA robustness of GaN power high-electron-mobility transistors (HEMTs) and SiC power MOSFETs by switching based tests. The unclamped inductive switching stresses are applied to p-gate GaN HEMTs to evaluate their surge-energy and overvoltage robustness. The continuous, hard-switching, turn-off stresses are applied to SiC MOSFETs to evaluate their overvoltage switching robustness. As a result, both experiments demonstrate the robustness of SiC and GaN devices under out-of-SOA switching events, and the physics of degradation and failure are understood.

42 ENGINEERING↗

Storm DEPART(Damage Estimate Prediction And Recovery Tool)

Damage prediction, materials needed, and resource allocation modeling capability in order to support pre-incident planning and preparation by predicting damage to the power generation capacity, transmission grids, distribution networks, and communications assets. The capabilities will be developed by multiple factors to include wind bands, storm surge, and flooding forecasts to participant’s assets which will result in a report of predicted damages. Additional factors to include available participants infrastructure data to include class, age, construction, location, wind rating, and additional information not in the public domain. Based on predicted damages, the output will be a bill of materials (BOM) to support short-term recovery operations. The extensiveness and level of detail for this BOM will depend on the replacement configuration specifications provided for each individual participant asset. Any limiting factors for the model will be applied related supply chain and resource constraints.

Klett, Mary↗

Intercomparison of Deep Learning Model Architectures for Atmospheric River Prediction

With a rapid surge in the application of machine learning (ML) for a diverse range of tasks in climate science, the present study addresses a challenge for climate scientists when selecting the optimal ML or deep learning (DL) architecture for a given application. In particular, a DL intercomparison study was performed with a focus on forecasting the position of atmospheric rivers (ARs) on short-range time scales (up to 5-day lead times). AR predictions from multiple DL architectures, including various types of convolutional autoencoders and a vision transformer (ViT), were compared against ECMWF ERA5 reanalysis and hindcasts from a global climate model. DL models with similar trainable parameters were trained on ERA5 reanalysis data and AR positions derived from a thresholding algorithm to ensure a fair comparison among the DL models. Each model’s performance and accuracy in forecasting AR location and key input fields within a 5-day window were assessed using metrics of root-mean-square error, anomaly correlation, and mean intersection over union. The ViT architecture outperformed other autoencoder models in most of the metrics. Incorporating additional meteorological fields only yielded slight improvements in forecasting certain fields at longer lead times. The results also suggest that a smaller number of input time steps or smaller number of autoregressive steps can achieve better prediction skills, while also improving the overall computational efficiency. This research offers valuable insights into the strengths and weaknesses of different DL techniques for AR forecasting, hopefully guiding the development of improved models for forecasting this phenomenon.

54 ENVIRONMENTAL SCIENCES↗

Observing, Measuring, and Assessing the Consequences of Snow Drought

Warmer and shorter winters from climate change will reduce snowpacks in most seasonally snow-covered regions of the world, with consequences for freshwater availability in spring and summer when people and ecosystems demand water most. Recent record-low snowpacks, such as those in the winters of 2013/14 and 2014/15 in the western United States, have led to a surge in research on “snow droughts,” which are pointed to as harbingers of global warming that pose significant societal hazards. Yet, despite the importance of understanding snow droughts to best prepare for their attendant impacts, the concept remains amorphous, with no agreed-upon definition of what they are, how best to measure them, and how such snow droughts connect to warm-season impacts. These knowledge gaps limit our understanding of the risks posed by snow droughts in the present and future, and thus our preparedness for their differential impacts on freshwater resources. To address these issues, we compile a hemispheric ensemble of in situ, satellite, and reanalysis snowpack datasets. We use this ensemble to evaluate the scientific challenges and uncertainties arising from differences in defining and measuring snow droughts, and to identify opportunities to leverage this information to better understand the significance of snow droughts. We show that a clearer quantification of what constitutes a snow drought, including its uncertainties, improves our ability to anticipate costly and disruptive warm-season droughts, which is vital for informing risk management and adaptation to changing snow regimes.

54 ENVIRONMENTAL SCIENCES↗

Systemic immunological responses are dependent on sex and ovarian hormone presence following acute inhaled woodsmoke exposure

Background: Rural regions of the western United States have experienced a noticeable surge in both the frequency and severity of acute wildfire events, which brings significant challenges to both public safety and environmental conservation efforts, with impacts felt globally. Identifying factors contributing to immune dysfunction, including endocrinological phenotypes, is essential to understanding how hormones may influence toxicological susceptibility. Methods: This exploratory study utilized male and female C57BL/6 mice as in vivo models to investigate distinct responses to acute woodsmoke (WS) exposure with a focus on sex-based differences. In a second set of investigations, two groups were established within the female mouse cohort. In one group, mice experienced ovariectomy (OVX) to simulate an ovarian hormone-deficient state similar to surgical menopause, while the other group received Sham surgery as controls, to investigate the mechanistic role of ovarian hormone presence in driving immune dysregulation following acute WS exposure. Each experimental cohort followed a consecutive 2-day protocol with daily 4-h exposure intervals under two conditions: control HEPA-filtered air (FA) and acute WS to simulate an acute wildfire episode. Results: Metals analysis of WS particulate matter (PM) revealed significantly increased levels of 63 Cu, 182 W, 208 Pb, and 238 U, compared to filtered air (FA) controls, providing insights into the specific metal components most impacted by the changing dynamics of wildfire occurrences in the region. Male and female mice exhibited diverse patterns in lung mRNA cytokine expression following WS exposure, with males showing downregulation and females displaying upregulation, notably for IL-1β, TNF-α, CXCL-1, CCL-5, TGF-β, and IL-6. After acute WS exposure, there were notable differences in the responses of macrophages, neutrophils, and bronchoalveolar lavage (BAL) cytokines IL-10, IL-6, IL-1β, and TNF-α. Significant diverse alterations were observed in BAL cytokines, specifically IL-1β, IL-10, IL-6, and TNF-α, as well as in the populations of immune cells, such as macrophages and polymorphonuclear leukocytes, in both Sham and OVX mice, following acute WS exposure. These findings elucidated the profound influence of hormonal changes on inflammatory outcomes, delineating substantial sex-related differences in immune activation and revealing altered immune responses in OVX mice due to ovarian hormone deficiency. In addition, the flow cytometry analysis highlighted the complex interaction between OVX surgery, acute WS exposure, and their collective impact on immune cell populations within the hematopoietic bone marrow niche. Conclusions: In summary, both male and female mice, alongside females subjected to OVX and those who had sham surgery, exhibit significant variations in the expression of proinflammatory cytokines, chemokines, lung mRNA gene expression, and related functional networks linked to signaling pathways. These differences potentially act as mediators of sex-specific and hormonal influences in the systemic inflammatory response to acute WS exposure during a wildfire event. Understanding the regulatory roles of genes expressed differentially under environmental stressors holds considerable implications, aiding in identifying sex-specific therapeutic targets for addressing acute lung inflammation and injury.

59 BASIC BIOLOGICAL SCIENCES↗

Air quality and health impacts of the 2020 wildfires in California

Abstract Background Wildfires in 2020 ravaged California to set the annual record of area burned to date. Clusters of wildfires in Northern California surrounded the Bay Area covering the skies with smoke and raising the air pollutant concentrations to hazardous levels. This study uses the Fire Inventory from the National Center for Atmospheric Research database and the Community Multiscale Air Quality model to estimate the effects of wildfire emissions on air quality during the period from August 16 to October 28 of 2020. In addition, low-cost sensor data for fine particulate matter (PM 2.5 ) from the PurpleAir network is used to enhance modeled PM 2.5 concentrations. The resulting impacts on ozone and PM 2.5 are used to quantify the health impacts caused by wildfires using the Benefits Mapping and Analysis Program – Community Edition. Results Wildfire activity significantly increased direct PM 2.5 emissions and emissions of PM 2.5 and ozone precursors. Direct PM 2.5 emissions surged up to 38 times compared to an average day. Modeling results indicated that wildfires alone led to a rise in ozone daily maximum 8-h average by up to 10 ppb and exceeded PM 2.5 air quality standards in numerous locations by up to 10 times. While modeled PM 2.5 concentrations were lower than measurements, correcting these with PurpleAir data improved the accuracy. The correction using PurpleAir data increased estimates of wildfire-induced mortality due to PM 2.5 exposure by up to 16%. Conclusions The increased hospital admissions and premature mortality attributed to wildfires were found to be comparable to the health impacts avoided by strategies aimed at meeting ozone and PM2.5 air quality standards. This suggests that widespread wildfire emissions can negate years of efforts dedicated to controlling air pollution. The integration of low-cost sensor data proved invaluable in refining the estimates of health impacts from PM2.5 resulting from wildfires.

54 ENVIRONMENTAL SCIENCES↗

Enhancement of terahertz fields in LiTaO 3 waveguides using a conical pulse front

The development of methods for the generation of strong ultrafast electromagnetic pulses in the terahertz (THz) spectral range has led to a surge of progress in nonlinear THz spectroscopy and THz control of molecular and collective responses. For spectroscopy in the 1-THz range, the submillimeter wavelengths and associated large spot sizes, large optical elements, and short distances between final focusing elements and samples can lead to cumbersome experimental setups that are incompatible with some sample environments. Here, we introduce a novel terahertz ring excitation (TREx) optical pumping geometry to generate superposing, focusing fields in planar THz waveguides made out of the electro-optic material lithium tantalate. High THz fields, >175 kV/cm, are generated and measured optically with no free-space THz propagation. The field level achieved by pumping with a sequence of concentric rings of excitation light exceeds by about 20× the result of a single cylindrically focused line of pump light that has been used routinely in previous work. The technique opens new prospects for compact waveguide-based linear and nonlinear THz spectroscopy and signal processing.

47 OTHER INSTRUMENTATION↗

COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms

We need to effectively combine the knowledge from surging literature with complex datasets to propose mechanistic models of SARS-CoV-2 infection, improving data interpretation and predicting key targets of intervention. Here, we describe a large-scale community effort to build an open access, interoperable and computable repository of COVID-19 molecular mechanisms. The COVID-19 Disease Map (C19DMap) is a graphical, interactive representation of disease-relevant molecular mechanisms linking many knowledge sources. Notably, it is a computational resource for graph-based analyses and disease modelling. To this end, we established a framework of tools, platforms and guidelines necessary for a multifaceted community of biocurators, domain experts, bioinformaticians and computational biologists. The diagrams of the C19DMap, curated from the literature, are integrated with relevant interaction and text mining databases. We demonstrate the application of network analysis and modelling approaches by concrete examples to highlight new testable hypotheses. This framework helps to find signatures of SARS-CoV-2 predisposition, treatment response or prioritisation of drug candidates. Such an approach may help deal with new waves of COVID-19 or similar pandemics in the long-term perspective.

59 BASIC BIOLOGICAL SCIENCES↗

HERO WEC V1 Upgrade - 2023 Laboratory Testing (processed data)

The following submission includes processed laboratory data from NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC), in the form of MATLAB workspaces. This dataset was created using NREL's Large Amplitude Motion Platform (LAMP) and collected between August and September 2023. Included with this submission is a test log of all the processed data "HERO WEC LAMP test run log.xlsx" so that the user can easily find the data of interest. Additionally, more detailed descriptions of the type of data and how it was processed, or calculated, can be found in the document titled "Lamp Data Description.docx". The MATLAB workspaces can be visualized using the file "LAMP_Data_Viewer_Ver2.m/mlx". The user simply needs to upload the workspace of interest and run the file "LAMP_Data_Viewer_Ver2.m/mlx". Both the .m and .mlx file format has been provided depending on the user's preference. The MATLAB workspaces have been separated into zip files corresponding to either Drivetrain, Hydraulic, or Electric configuration runs representing the respective test cases that were run. The drivetrain runs were used to characterize the drivetrain only (no pump or generator). The Hydraulic runs represent the configuration when the seawater pump is installed, and the Electric runs represents the configuration when the generator is installed. The following sub-categories of data are included for each type: - DW - Deep water sine wave profile (not run in drivetrain configuration) - Heave - Heave only sine wave profile - Heave_NoRO (hydraulic configuration only) - Heave_ACC (hydraulic configuration only) - IR - Surge and heave irregular wave profile (not run in drivetrain configuration) - RW - Heave only profile created from real world encoder data (not run in drivetrain configuration) For those interested in the raw, unprocessed, data the authors have created a separate submission, linked below. This submission includes the raw TDMS files and associated files necessary to translate the data into either python or MATLAB formats. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗

MASK4 Test Campaign for Sandia WaveBot Device

This data and report details the findings from a wave tank test focused on production of useful work of a wave energy converter (WEC) device. The experimental system and test were specifically designed to validate models for power transmission throughout the WEC system. Additionally, the validity of co-design informed changes to the power take-off (PTO) were assessed and shown to provide the expected improvements in system performance. These data describe the "MASK4" wave tank test of the Sandia WaveBot device. The WaveBot device has been tested a number of times in different permutations at the US Navy's Maneuvering and Sea Keeping (MASK) basin. Each test in this series is referred to as MASK1, MASK2, etc. The WaveBot device was first tested in one degree of freedom (heave) in 2016. This MASK1 test focused primarily on system identification and modeling. After MASK1, major modifications were performed to improve the overall real-time control and measurement system, improve the heave drive train, and add surge and pitch degrees of freedom. The second set of testing, which was broken up in to two stages: MASK2A and MASK2B, focused on bench testing and closed-loop control performance as well as nonlinear modeling. MASK3 then focused on multi-input, multi-output modeling and control for maximization of electrical power. The attached report presents the results from MASK4, which focuses on detailed modeling of the power conversion chain and validation co-design principles by way of the introduction of a magnetic spring. The test log, report, and data from the MASK4 test of the WaveBot augmented with a tunable magnetic spring. Processing codes can be found at the Github link below.

16 TIDAL AND WAVE POWER↗

HERO WEC V1 Upgrade - 2023 Laboratory Testing (Raw Data)

This submission contains the original, unprocessed data from the 2023 Large Amplitude Motion Platform (LAMP) testing of NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This data serves as a companion to MHKDR #520. Data was collected using NREL's Modular Ocean Data AcQuisition (MODAQ) system in TDMS format. Specifications of TDMS files can be found on the NI website. The TDMS files have been separated into zip files corresponding to either Drivetrain, Hydraulic, or Electric configuration runs representing the respective test cases that were run. The drivetrain runs were used to characterize the drivetrain only (no pump or generator). The Hydraulic runs represent the configuration when the seawater pump is installed, and the Electric runs represents the configuration when the generator is installed. The following sub-categories of data are included for each type: - DW - Deep water (monochromatic sine wave) profile (not run in drivetrain configuration) - Heave - Heave only (monochromatic sine wave) profile - Heave_NoRO (hydraulic configuration only) - Heave_ACC (hydraulic configuration only) - IR - Surge and heave irregular wave profile (not run in drivetrain configuration) - RW - Heave only profile created from real world encoder data (not run in drivetrain configuration) Reference documents: - "HERO WEC Lamp Test Run Log.xlsx": contains specifications for each test run - "Lamp Data Description.docx": provides detailed information about data types and processing methods For those interested in the processed data the authors have created a separate submission, MHKDR #520, linked below. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗