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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The Development of Catalysts for Upgrading of Pyrolysis Vapor for Refinery Feedstocks and Intermediates: Cooperative Research and Development, CRADA Number CRD-12-00497 (Final Report)

Fast pyrolysis of biomass with vapor phase upgrading (VPU) can produce refinery feedstocks or intermediates that can meet the Department of Energy’s goal of cost-competitive hydrocarbon fuels by 2017. A key technical barrier for this technology is the lack of selective, cost effective catalysts that can produce high yields of fuel-appropriate hydrocarbons from the pyrolysis vapors. In overcoming this barrier, it will be important to engage leading catalyst development companies to devote their resources and expertise to the development of these materials. Thus, we propose a Cooperative Research and Development Agreement (CRADA) between the National Renewable Energy Laboratory (NREL), a world leader in biomass pyrolysis research and Johnson Matthey (JM), a world leader in the production of advanced catalyst materials to develop and test novel catalysts for efficient VPU. Through its Intercat Inc. subsidiary in Savannah, Ga., Johnson Matthey is internationally recognized as a leader in zeolite-based vapor phase upgrading in refinery duties and an emerging developer of biomass conversion technologies. The research and development efforts described in the proposed work will build upon existing collaborations between NREL and JM and play to the strengths of both institutions. NREL will analyze the composition of pyrolysis vapors as an input to catalyst design, screen and test catalysts, characterize the resulting oil and conduct techno-economic analysis. Catalyst samples will be produced and funded by JM. JM will design and synthesize catalysts, characterize fresh and used catalysts and develop catalyst supports needed to achieve commercially meaningful lifetimes. The project will span catalyst development and testing from the fundamental stage using quantum mechanical modeling and chemical reaction analysis to catalyst screening to integrated pilot studies.

09 BIOMASS FUELS↗
DOE OSTI2021

UKy-CAER Heat Integrated Transformative CO 2 Capture Process in Pulverized Coal Power Plants

The goal of this Phase II Topical Report is to summarize the work for public domain conducted on project DE-FE0031583. Building upon the Design Basis completed during Phase I and in accordance with the Statement of Project Objectives (SOPO), the University of Kentucky (UK) Center for Applied Energy Research (CAER) (Recipient) along with team members has completed the Front End Engineering Design (FEED) for its advanced, versatile post-combustion CO 2 capture system (CCS) at the 10 MWe large pilot scale to be installed at the Wyoming (WY) Integrated Test Center (ITC), using a heat integrated process with split-rich fed, two-stage stripping and any advanced solvent to enhance the CO 2 absorber performance and lower the cost of CO 2 capture. The proposed project (Phases I-III) involves the design, fabrication, installation, testing and evaluation of a large pilot scale facility that will demonstrate the UK CAER transformative CCS integrated with an operating power plant. The work performed in Phase I, detailed in the Phase I Topical Report that was submitted in March 2019, included formation of a project team, securing the host site, and completing pre-FEED design basis, a cost estimation, a preliminary techno-economic analysis (TEA) and an environmental information volume (EIV). The work performed in Phase II, detailed in this Phase II Topical Report, includes completion of FEEDs, completion of a process risk analysis (PRA), obtaining necessary permits, updating the EIV and TEA, updating the cost and schedule estimate for the Phase III scope of work (SOW) and securing the necessary cost share. Updated information is provided on the current status of the UK CAER CCS technology and the project is ready to begin immediately detailed design, construction and operation of the proposed pilot.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Design, Synthesis, and Utility of Defined Molecular Scaffolds

A growing theme in chemistry is the joining of multiple organic molecular building blocks to create functional molecules. Diverse derivatizable structures—here termed “scaffolds” comprised of “hubs”—provide the foundation for systematic covalent organization of a rich variety of building blocks. This review encompasses 30 tri- or tetra-armed molecular hubs (e.g., triazine, lysine, arenes, dyes) that are used directly or in combination to give linear, cyclic, or branched scaffolds. Each scaffold is categorized by graph theory into one of 31 trees to express the molecular connectivity and overall architecture. Rational chemistry with exacting numbers of derivatizable sites is emphasized. The incorporation of water-solubilization motifs, robust or self-immolative linkers, enzymatically cleavable groups and functional appendages affords immense (and often late-stage) diversification of the scaffolds. Altogether, 107 target molecules are reviewed along with 19 syntheses to illustrate the distinctive chemistries for creating and derivatizing scaffolds. The review covers the history of the field up through 2020, briefly touching on statistically derivatized carriers employed in immunology as counterpoints to the rationally assembled and derivatized scaffolds here, although most citations are from the past two decades. The scaffolds are used widely in fields ranging from pure chemistry to artificial photosynthesis and biomedical sciences.

Sato, Daisuke (ORCID:0000000305472659)↗
DOE OSTI2024

Incentivizing and Supporting Early-Stage Solar Innovation in the United States

In 2018, the U.S. Department of Energy's Solar Energy Technologies Office and the National Renewable Energy Laboratory set out to develop a repeatable, predictable prize model (the American-Made Challenges) and an entrepreneurial innovation network (the American-Made Network) to support participants along their innovation journeys. This began with the launch of the Solar Prize. Five years and six rounds later, the Solar Prize is the longest-standing competition of the American-Made Challenges. It has awarded $\$20.1$ million in cash prizes and $\$5.5$ million in technical support vouchers to 140 teams across all aspects of the solar industry. By sharing the outputs of the prize, we hope that our lessons learned will help continue to build the clean tech entrepreneurship support ecosystem.

14 SOLAR ENERGY↗
DOE OSTI2022

Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa

Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa (for corresponding manuscript: DOI: 10.1002/bbb.2148) PDF Files: Images of 1H NMR spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum). Suppression of the water peak was achieved using a NOESY-1D with presaturation, a recycle delay of 5 s, and a total of 64 scans. Spectra were acquired at 298 K and processed with automatic phase correction, baseline correction, and chemical shift referencing to TSP-d4. Images show all 1H data from 10 to 1ppm with inset spectra of region of interest (4.0 to 3.1 ppm). Text Files: Spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum) were converted into text files for plotting. Files contain 8192 points of raw spectral data from 12.23 to -2.78 ppm. The text file contains 4 columns of data and includes: Point number, Intensity, Hz, and ppm. Xcel Spreadsheet: HPLC measured monomeric sugar concentrations and bucketed 1H NMR data used to build monomeric sugar composition prediction models. Sugar composition in biomass determined from HPLC analyses are given in mg sugar/mg of biomass. Spectral bucketing was performed using Bruker’s AMIX software. Spectra were divided into 0.005 ppm buckets in the region of 3.10– 4.15 ppm for a total of 210 buckets. Headers for the bucketed data are the chemical shift in ppm of the center of the bucket. Bucketed data was used to build partial least squares models for subsequent predictions in The Unscrambler v. 10.5(CAMO A/S, Trondheim, Norway). The formation of methanol during hydrolysis interferes with the quantitative NMR analysis of sugars, so the methanol peak centered at 3.37 ppm and spanning four buckets (3.2925 – 3.2775 ppm) was set to zero for all spectra.

09 BIOMASS FUELS↗
DOE OSTI2024

Tailoring Molecular Space to Navigate Phase Complexity in Cs-Based Quasi-2D Perovskites via Gated-Gaussian-Driven High-Throughput Discovery

Cesium-based quasi-2D halide perovskites (HPs) offer promising functionalities and low-temperature manufacturability, suited to stable tandem photovoltaics. However, the chemical interplays between the molecular spacers and the inorganic building blocks during crystallization cause substantial phase complexities in the resulting matrices. To successfully optimize and implement the quasi-2D HP functionalities, a systematic understanding of spacer chemistry, along with the seamless navigation of the inherently discrete molecular space, is necessary. Herein, by utilizing high-throughput automated experimentation, the phase complexities in the molecular space of quasi-2D HPs are explored, thus identifying the chemical roles of the spacer cations on the synthesis and functionalities of the complex materials. Furthermore, a novel active machine learning algorithm leveraging a two-stage decision-making process, called gated Gaussian process Bayesian optimization is introduced, to navigate the discrete ternary chemical space defined with two distinctive spacer molecules. Through simultaneous optimization of photoluminescence intensity and stability that “tailors” the chemistry in the molecular space, a ternary-compositional quasi-2D HP film realizing excellent optoelectronic functionalities is demonstrated. Finally, this work not only provides a pathway for the rational and bespoke design of complex HP materials but also sets the stage for accelerated materials discovery in other multifunctional systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

IRES Microgrid Energy Integration Report Version 1.0

This report presents technical information and guidance for the planned Integrated Renewable Energy System (IRES) microgrid project. This deployment of the microgrid and its associated assets was initiated in the beginning of 2022 at the Marine and Coastal Research Laboratory (MCRL) facility of Pacific Northwest National Laboratory (PNNL)-Sequim, Washington. The information in the report is organized under two main focus areas: electrical power interface, or interconnection, information of planned IRES assets; and communication and control interface, or interoperability, information of the planned IRES assets. The information will provide technical input for the development of the IRES microgrid controller technical specification, and also provide input for PNNL’s evaluation of adequacy of the electrical service infrastructure at MCRL to support the IRES project and help identify any gaps that will require facility-based upgrades. From an R&D aspect, this study and report will build on PNNL’s research and development work relating to energy storage (ES) codes and standards (C&Ss), including hybrid systems, performed on behalf of the Department of Energy (DOE) Office of Electricity (OE) ES. The current state of C&Ss for advanced technologies and their application, including microgrid-based technology is limited. For cases where formal standards issued by recognized Standards Developing Organizations do not yet exist, guidance is provided based on emerging best practices, including industry-group references that can be leveraged for microgrid technology which is in its early stages of development and use.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Demonstration of Electrolyzer Operation at a Nuclear Plant to Allow for Dynamic Participation in an Organized Electricity Market and In-House Hydrogen Supply

This document details the execution of Cooperative Agreement DE-EE0008849, “demonstration of electrolyzer operation at a nuclear plant to allow for dynamic participation in an organized electricity market and in-house hydrogen supply” during the performance period of 10/1/2019 – 9/30/2024. The project was funded by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE). Constellation Energy Generation, LLC (formerly Exelon Generation Company, LLC) is the prime recipient of the award. Other members of the project team are INL, NREL, ANL and Nel Hydrogen. The main project objective was to demonstrate an end-to-end integrated grid-scale carbon-free H 2 production, storage and utilization pilot plant at a nuclear generating facility. The project also aimed to evaluate market opportunities and regulatory requirements related to the participation of integrated hydrogen production and nuclear plant facilities in organized power markets, by demonstrating dynamic control and operation of the electrolyzer and assessing the economics of dynamic participation combined with the revenue streams from hydrogen production. On March 7th , 2023 Constellation started hydrogen production at it’s Nine Mile Point Nuclear Plant in Oswego, New York. The PEM electrolyzer operating at Nine Mile Point uses 1.25 megawatt of nuclear electricity to produce 560 kilograms of clean hydrogen per day, more than enough to meet the plant’s operational hydrogen use. It will also help set the stage for possible large-scale deployments at other clean energy centers in Constellation’s fleet that would couple clean hydrogen production with storage and other on-site uses. Employing the lessons learned from the 1.25 MW demonstration-scale, nuclear-powered clean hydrogen production facility at Nine Mile Point, Constellation was a major participant in the MachH2 hydrogen hub recently selected for up to $\$$1 billion by the Department of Energy (DOE) as part of the bipartisan Infrastructure Investment and Jobs Act. Constellation will use a portion of the hub funding to build the world’s largest nuclear-powered clean hydrogen production facility at its LaSalle Clean Energy Center in Illinois. The project was featured in a number of news articles and press releases and received 2 awards. At the 2023 DOE HFTO’s Annual Merit Review meeting, the P.I. Dr. Uuganbayar Otgonbaatar and project manager Robert Beaumont were recognized for “outstanding achievements in the development and demonstration of a first-of-a-kind clean hydrogen production facility, powered by carbon-free nuclear energy, at the Nine Mile Point Nuclear Station in Oswego, New York.” The project was also awarded 2023 Nuclear Energy Institute’s Top Innovative Practice award.

08 HYDROGEN↗
DOE OSTI2025

Joint Modeling of Wind Speed and Wind Direction Through a Conditional Approach

Atmospheric near surface wind speed and wind direction play an important role in many applications, ranging from air quality modeling, building design, wind turbine placement to climate change research. It is therefore crucial to accurately estimate the joint probability distribution of wind speed and direction. In this work, we develop a conditional approach to model these two variables, where the joint distribution is decomposed into the product of the marginal distribution of wind direction and the conditional distribution of wind speed given wind direction. To accommodate the circular nature of wind direction, a von Mises mixture model is used; the conditional wind speed distribution is modeled as a directional dependent Weibull distribution via a two-stage estimation procedure, consisting of a directional binned Weibull parameter estimation, followed by a harmonic regression to estimate the dependence of the Weibull parameters on wind direction. A Monte Carlo simulation study indicates that our method outperforms two other approaches in estimation efficiency: one that utilizes periodic spline quantile regression and another that generates data from the commonly used Abe-Ley distribution for cylindrical data. We illustrate our method by using the output from a regional climate model to investigate how the joint distribution of wind speed and direction may change under some future climate scenarios. Our method indicates significant changes in the variation of wind speed with respect to some directions.

17 WIND ENERGY↗
DOE OSTI2023

Developing an Equity Framework for State Regulatory Decision-Making

The report presents a framework for states that seek to incorporate equity into regulatory decision-making. Berkeley Lab contextualizes approaches and metrics from various states into example processes to exemplify how this may be done, including topics such as the development of equity goals and definitions, intervenor funding, community engagement, performance-based ratemaking, and utility resource planning. The report offers five takeaways and considerations, supported by these examples: 1. Equity comprises multiple tenets and stages, all of which must be considered in parallel. 2. At the start of designing new equity-related processes, it is critical to establish clear and actionable goals, definitions, roles, and responsibilities to ensure progress. 3. Once goals are established, it is critical to align tools and metrics that bridge the gap between what an intervention may do and how it may impact communities and households. 4. Processes should be stakeholder driven. It is important to not only increase education and outreach, but to actively seek out and incorporate feedback from inclusive public processes and build in accountability mechanisms. Processes should be iterative. Feedback loops between evaluations and program design provide the flexibility to better align existing interventions with community priorities and to incorporate equity into future decision-making.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Efficient and assured reinforcement learning-based building HVAC control with heterogeneous expert-guided training

Abstract Building heating, ventilation, and air conditioning (HVAC) systems account for nearly half of building energy consumption and $$20\%$$ of total energy consumption in the US. Their operation is also crucial for ensuring the physical and mental health of building occupants. Compared with traditional model-based HVAC control methods, the recent model-free deep reinforcement learning (DRL) based methods have shown good performance while do not require the development of detailed and costly physical models. However, these model-free DRL approaches often suffer from long training time to reach a good performance, which is a major obstacle for their practical deployment. In this work, we present a systematic approach to accelerate online reinforcement learning for HVAC control by taking full advantage of the knowledge from domain experts in various forms . Specifically, the algorithm stages include learning expert functions from existing abstract physical models and from historical data via offline reinforcement learning, integrating the expert functions with rule-based guidelines, conducting training guided by the integrated expert function and performing policy initialization from distilled expert function. Moreover, to ensure that the learned DRL-based HVAC controller can effectively keep room temperature within the comfortable range for occupants, we design a runtime shielding framework to reduce the temperature violation rate and incorporate the learned controller into it. Experimental results demonstrate up to 8.8 X speedup in DRL training from our approach over previous methods, with low temperature violation rate.

Xu, Shichao↗
DOE OSTI2021

BETO 2021 Peer Review - Continuous Enzymatic Hydrolysis Development (CEHD) WBS 2.4.1.101

The Continuous Enzymatic Hydrolysis Development (CEHD) project aims to reduce the cost and commercialization scale-up risks of biorefinery sugar-lignin production through development of a deployable continuous enzymatic hydrolysis (CEH) process. Through the use of external cross flow membrane filtration loops coupled to enzymatic hydrolysis (EH) reactors, pretreated biomass solids and enzymes are retained for reaction while solubilized product sugars are removed in situ, with high extents of conversion achieved through a series of reactor-membrane unit stages. The CEHD project is focused on advancing CEH as a transformational, process-intensified, lower-cost method for producing soluble clarified biomass sugars and insoluble lignin-rich streams than traditional batch enzymatic hydrolysis (BEH). The project's primary objective is to reduce the cost of CEH to be compellingly lower than conventional BEH, 10% lower in year 1 and 20% lower in year 3 (end of project). A related objective is to expand CEH's operating envelope to increase process efficiency. Through more thorough de-risking and demonstration of CEH, in conjunction with building a suite of modeling and optimization tools that allow for more facile rigorous in silico evaluation of novel CEH designs and modalities, this project intends to elevate industry interest in adopting CEH as an improvement over conventional batch processing. This project was merit reviewed in FY20. It's now in its first year of a new 3-year plan spanning FY21-FY23.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

TASTI-GRID: a holistic view of Florida's grid resilience opportunities

In December of 2025, the American Society of Civil Engineers updated Florida’s infrastructure grade to a ”C+” – reflecting overall investments in recent years. With the recommendation to further strengthen the electric grid and establish consistent building standards, extreme weather, aging infrastructure, and population in-migration are still compounding Florida’s grid vulnerabilities. Key challenges related to hurricane and other tropical & marine weather events are not unique to Florida. However, the state’s topography, location, demographics, and variation among rural and urban centers for tourism and industry, demonstrate the need for unique approaches to advancing critical infrastructure resilience, particularly for large concentrations of elderly residents or in areas of historic underinvestment. Florida’s grid asset advancements are credited with a reduction in average power outage durations. Yet, improvements since 2021 have set the stage for future resilience activities – as modernization efforts have greatly improved data collection – enabling better understanding of vulnerabilities and trends across counties and localities (particularly in Central Florida).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Renewable Thermal Hybridization Framework for Industrial Process Heat Applications

Renewable thermal energy systems (RTES) could be hybridized with different renewable options (e.g., flat plate collectors (FPCs) with parabolic collectors), or combined with existing heat supplies (e.g., fossil fuels), to give options for targeted solar IPH applications, industrial decarbonization and the reduction of fuel consumption. Buildings and industrial thermal energy applications require different temperature ranges, quantities, and rates of thermal energy, and as such require flexible, cost competitive solutions, able to provide heat over various temperature ranges. Hybrid solutions and thermal energy storage (TES) will be important for the dispatch of heat at optimal times needed by the demand side of the buildings and industrial applications. A variety of tools and platforms, such as the System Advisor Model (SAM), can provide hourly thermal yield simulations from single renewable energy (RE) technology options, including FPCs or CSP for solar IPH. We have investigated a variety of approaches to hybrid system modeling for RTES at different temperatures or combinations of technologies and developed an initial framework. The hybridization framework starts by creating a heat stream and raising the temperature of that heat stream by various combinations of RE technologies and other sources such as fossil fuels, new fuels or electric heating in multiple stages, with options for TES and/or waste heat recovery (WHR).

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Intercomparison of flood inundation models across land use types and hydrological flood stages

Flood Inundation Mapping (FIM) model selection is a key operational decision because accurate, rapid mapping underpins early warning and resource allocation. FIM performance is context-dependent and can vary with hydrograph phase, land-use/land-cover (LULC), and the evaluation benchmark. Intercomparison studies typically assess a single near-peak snapshot against one reference dataset. Here, we provide a context-stratified intercomparison across (i) multiple hydrograph phases, (ii) LULC classes, and (iii) benchmark types, for five FIM approaches spanning a wide range of physical complexity and operational cost (TRITON, LISFLOOD-FP, HEC-RAS 2D, ARC-Curve2Flood, and OWP HAND-FIM). We use the Hurricane Matthew flood (2016) in the Neuse River Basin, North Carolina, USA, as a case study. Using high-resolution remote sensing-derived flood inundation maps, hand-labeled points, and building footprints, we assess model skill across two rising and two falling hydrograph limbs and across major LULC types. Results show that model rankings shift systematically across contexts: LISFLOOD-FP ranks highest in three of four flood phases, while TRITON leads during one rising limb phase; LISFLOOD-FP performs best in vegetated areas, whereas HEC-RAS improves relative performance in agricultural and urban areas; and benchmark choice influences conclusions, with LISFLOOD-FP performing best for flooded-building detection in the late falling limb, while TRITON ranks highest against hand-labeled points. We also report representative wall-clock runtimes for each workflow to provide use-case context for operational feasibility. Together, these results offer transferable guidance for model selection and for designing large-scale, benchmark-aware FIM intercomparison studies.

Nikrou, Parvaneh [University of Alabama]↗
DOE OSTI2025

Descriptor: Infrastructure Perception and Control: Multi-Sensor Object Tracking Dataset (IPC-MSOT)

Traffic intersections are crucial and challenging nodes in transportation networks where multiple lanes of vehicles and pedestrians converge. Traffic accidents often occur at traffic intersections, including a large proportion of traffic fatalities and about one-half of all traffic injuries in the United States. Object detection data were collected in 2024 across three intersections in Colorado Springs, CO, USA, over the course of multiple days and various times to induce a heterogeneous mix of traffic conditions and behaviors. The purpose of the data collection exercises was to learn various attributes about infrastructure sensors and to build a repository of high-resolution, object-level data that can be used for research and development (e.g., to develop multisensor data fusion algorithms). The Infrastructure Perception and Control:Multi-Sensor Object tracking (IPC-MSOT) dataset was collected as part of the U.S. Department of Transportation's Strengthening Mobility and Revolutionizing Transportation (SMART) project, where the city of Colorado Springs, Colorado, and the National Renewable Energy Laboratory collaborated to collect object-level trajectory data from road users using multiple types of infrastructure sensors deployed at different intersections. This dataset allows for testing of late-stage sensor fusion algorithms and their ability to ingest multimodal sensor data, and it can be utilized by traffic engineers to design and evaluate trajectory-based signal control strategies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Hawai‘i National Marine Renewable Energy Center (HINMREC)

The Hawaii National Marine Renewable Energy Center (HINMREC) was established to facilitate the commercialization of wave energy converter (WEC) devices, and to accelerate development and testing of Ocean Thermal Energy Conversion (OTEC) technologies. Housed at the Hawaii Natural Energy Institute (HNEI) of the University of Hawaii (UH), this program started with execution of the contract between the US Department of Energy (DOE) and UH in March 2009, and activities ran through the end of the project in September 2019. The DOE tasked HINMREC with facilitating and accelerating the build-out of the Navy’s Wave Energy Test Site (WETS), the nation’s first grid-connected open water wave energy conversion test facility, located off Marine Corps Base Hawaii (MCBH) in Kaneohe, on the island of Oahu. WETS was expanded from an existing test berth at 30m water depth to include test berths at 60m and 80m water depths. In recognition of the high costs associated with at-sea testing and evaluation of WEC devices, it was deemed imperative that HINMREC seek ways to reduce costs to developers by providing key research support to these early-stage technologies. WETS and HINMREC’s support allowed development of wave energy technology by providing a testing infrastructure that allows technology developers to test, demonstrate and evaluate their WEC devices, and generate data in order to advance WEC designs toward commercial readiness. HINMREC’s roles have included support in the establishment of the full site, including of wave resource characterization and site survey, followed by the essential roles of independent WEC device power performance assessment and environmental monitoring in support of deployed pre-commercial WECs. This DOE-funded work transitioned effectively to continue Navy-funded tasks for OTEC development, and activities at WETS, now under Naval Facilities Engineering Command (NAVFAC) funding. A secondary objective in the establishment of HINMREC was to assist the private sector in moving OTEC systems beyond proof-of-concept to pre-commercialization, primarily focused on system and component engineering, and local and global investigations into the potential environmental impacts of OTEC systems. HINMREC was tasked with maintaining high-resolution models of ocean thermal resources and the potential sustainable power output of OTEC systems. Ongoing tests begun previously under Navy funding at the OTEC Heat Exchangers (HXs) Test Facility at the Natural Energy Laboratory of Hawaii Authority (NELHA), in Kona on Hawaii Island, have been continued to identify cost-effective aluminum alloys for use in OTEC systems operating in the corrosive marine environment.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

The Role of Dimer Formation in the Nucleation of Superlattice Transformations and Its Impact on Disorder

The formation of defect-free two-dimensional nanocrystal (NC) superstructures remains a challenge as persistent defects hinder charge delocalization and related device performance. Understanding defect formation is an important step toward developing strategies to mitigate their formation. However, specific mechanisms of defect formation are difficult to determine, as superlattice phase transformations that occur during fabrication are quite complex and there are a variety of factors influencing the disorder in the final structure. Here, we use Molecular Dynamics (MD) and electron microscopy in concert to investigate the nucleation of the epitaxial attachment of lead chalcogenide (PbX, where X = S, Se) NC assemblies. We use an updated implementation of an existing reactive force field in an MD framework to investigate how initial orientational (mis)alignment of the constituent building blocks impacts the final structure of the epitaxially connected superlattice. This Simple Molecular Reactive Force Field (SMRFF) captures both short-range covalent forces and long-range electrostatic forces and allows us to follow orientational and translational changes of NCs during superlattice transformation. Our simulations reveal how robust the oriented attachment is with regard to the initial configuration of the NCs, measuring its sensitivity to both in-plane and out-of-plane misorientation. We show that oriented attachment nucleates through the initial formation of dimers, which corroborate experimentally observed structures. We present high-resolution structural analysis of dimers at early stages of the superlattice transformation and rationalize their contribution to the formation of defects in the final superlattice. Collectively, the simulations and experiments presented in this paper provide insights into the nucleation of NC oriented attachment, the impact of the initial configuration of NCs on the structural fidelity of the final epitaxially connected superlattice, and the propensity to form commonly observed defects, such as missing bridges and atomic misalignment in the superlattice due to the formation of dimers. Here, we present potential strategies to mitigate the formation of superlattice defects.

36 MATERIALS SCIENCE↗