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DOE OSTI2021

Managing the techno-economic impacts of partial string failure in multistring energy storage systems

The role of energy storage systems (ESSs) is becoming increasingly important for today’s electric power systems. Unavailability of an ESS assigned to critical grid services may cause unwanted disruption of those services and hence, may have a significant techno-economic impact. Like any physical equipment, an ESS is vulnerable to various types of faults. Failure of one or more strings in a multistring ESS does not have to be the cause of shutting down the entire ESS. It can still operate with a partial number of strings and continue providing critical services to the grid, if there are no reliability or safety issues and is acceptable under applicable standards. However, it is important to make sure that the control strategies are adaptable to the changes in ESS capacity caused by failed strings. Also, depending on the previous operation and type of failure, the reallocation of duty cycle burden among available strings could be non-uniform. These complexities suggest that mitigation of the impact of partial failure in multistring ESSs is not trivial and needs careful consideration. This is the topic of this paper. The proposed work investigates the impact of partial failure of a large multistring ESS on the assigned service and develops strategies to adjust the ESS control duty cycles for reducing such impacts. In doing so, the paper proposes a novel two-stage framework that plans for the multistring failure using robust optimization theory and then adjusts in real-time using a rule-based algorithm, based on the real-time information on the power availability of the string. Illustrations provided in this work are based on frequency regulation use-case, which is a common application for many utility-scale ESSs. A 750 kilowatt (kW)/1500 kilowatt-hour (kWh) 3-string ESS is used for the demonstration in this work and the efficacy of the proposed method is demonstrated and compared against methods that do not incorporate string failure in their strategy. In particular, here we show that revenue loss of 93% can be incurred when partial string failure is not included in operation and planning. These losses in revenue are reduced by 60% with the proposed method.

25 ENERGY STORAGE↗

DOE OSTI2021

Energy and power quality measurement for electrical distribution in AC and DC microgrid buildings

Today's selection of DC microgrid buildings features a diverse set of electrical topologies and turnkey solutions, each with specific design trade-offs and optimizations. Designers desperately need standardized metrics and procedures for measurement and verification (M&V) to analyze and compare the advantages of each DC solution to traditional AC building networks. This work develops M&V procedures for quantifying and comparing the energy efficiency and power quality in buildings. To calculate full-building efficiency, this work introduces the measurement-informed modeling method, a procedure that develops and refines a building's energy model with metered data. To quantify power quality, this work defines a new voltage quality index that applies to both AC and DC buildings. This article describes the equipment, instrumentation, and operation necessary to calculate the efficiency and power quality. It then demonstrates these methods with a set of field tests. We report these M&V procedures can ultimately be used to compare and improve the efficiency and power quality of various DC topologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Thermo-economic analysis of a solid oxide fuel cell-gas turbine hybrid with commercial off-the-shelf gas turbine

The thermodynamic and economic performance of a natural gas-fueled solid oxide fuel cell (SOFC)-gas turbine (GT) hybrid system with a commercial off-the-shelf GT is investigated. Until today, commercial GTs are primarily engineered for the direct use of energy dense fuels, such as natural gas, and the integration of commercial GTs into a SOFC-GT hybrid remains challenging. In this work technically feasible and economically viable GT operating modes are identified to gauge the technology’s competitiveness on the free market. Steady state, full load operating conditions were established for various GT operating modes: I) constant spool speed operation, II) variable spool speed operation and III) partially closed compressor inlet guide vanes. For each GT operating mode, the performance was investigated over a range of SOFC fuel utilization factors, while considering physical constraints inside the SOFC, such as local temperature gradients in flow direction as well as overall cell temperature differences. The results of the thermodynamic evaluation served as inputs for the economic analysis of the SOFC-GT hybrid power plant. The results show that the integration of an off-the-shelf GT not only results in a significant derating of the GT, but also substantially impacts the SOFC operation, the main power producer in this SOFC-GT hybrid. To maximize the SOFC power output it is desirable operate the GT in a region of high air mass flow rates and low pressure ratios, which increases the number of stacks that can be accommodated and reduces the SOFC cooling requirement. The lowest costs of electricity are obtained at constant spool speed operation, while the highest efficiencies are reached at variable spool speed operation. Critical for the integration of off-the-shelf GTs, which historically have been designed for natural gas, is the surge margin. The largest surge margins are obtained by closing the compressor inlet guide vanes. Furthermore, higher SOFC fuel utilization factors are shown to increase the surge margin as the turbine firing temperature is decreased.

25 ENERGY STORAGE↗

DOE OSTI2023

Cost analysis of distributed storage in AC and DC microgrids

Building and microgrid designs with highly-distributed electrical storage have potential advantages over today's conventional topologies with centralized storage. Herein this paper studies the capital cost benefits of several residential behind-the-meter distributed-storage topologies, including AC and DC versions of systems with load-packaged batteries and resilient sub-networks. The study begins by defining the block configuration of each topology. This work then develops a model for the cost of the power electronics necessary to interface with the storage elements. Finally, the analysis develops a model for the total cost of each storage topology, incorporating the installation and soft costs. The results suggest that while the cost of power electronics is lower in centralized topologies, the total cost is lower for distributed storage due to the avoided costs of installation and permitting. This paper also explores the benefits of load-packaged batteries for savings in electrical infrastructure.

25 ENERGY STORAGE↗

DOE OSTI2025

Benchmarking thermal energy storage cost for industrial process heat

Process heat accounts for roughly half of industrial energy demand, and currently 95% of process heat is derived from the combustion of natural gas, oil, and coal. Electrification of industrial heating could be an alternative, potentially expanding locations suitable for manufacturing; however, industrial facility owners may desire energy storage to stabilize energy costs. In this work, the economic benefits of pairing thermal storage with electrified process heat to reduce the average price paid for energy are analyzed. Cost savings focus on energy arbitrage, or leveraging flexible energy pricing schemes, alone. The cost of natural gas combustion across decades (2019-2060) is compared to the costs of electricity and thermal energy storage in four United States Independent System Operator (ISO) regions. Systems installed today may not yield positive net present value (NPV) compared to the use of natural gas. However, using estimated electricity prices, systems installed in 2030 using arbitrage alone could be profitable when compared to natural gas in some regions of the U.S. Furthermore, if capital expenditures could be reduced by 50% for sensible thermal storage systems by 2030, profitable systems are found across all regions. This implies that electrification of industrial process heat, when paired with inexpensive thermal energy storage systems, could be less expensive than brownfield natural gas systems, using arbitrage as the only source of revenue and without a dependency on any future policy drivers such as pricing externalities that could further incentivize the electrification of industrial process heat.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Selective recovery of native copper from basalt tailings using alkaline glycinate solution

Mafic and ultramafic rocks present an intriguing pathway for CO 2 capture through strategic enhancements to the natural silicate weathering cycle. Simultaneously, these rock types are often hosts to appreciable amounts of metals critical to U.S. energy independence, particularly in the context of alkaline mine tailings from historical metal mining. The research and scientific prerogative, then, is to identify promising mafic and ultramafic feedstocks and conduct exploratory studies to effectively recover these critical minerals while preserving the potential for mineral carbonation. The Keweenaw Peninsula of Michigan hosts the largest native Cu reservoir within basalt in the world and experienced a rich history of Cu production spanning from pre-historic times to the mid-1900s. Today, much of the Cu mining legacy remains as mine waste tailings. In this study, we examined the Cu extractability from Keweenaw Basalt tailings using a sodium glycinate solution, in comparison with acid and sodium hydroxide leaching. Experimental results showed an 85 % Cu extraction rate using sodium glycinate as the extraction solution with negligible release of other cations from the basalt. The kinetic and extraction mechanisms of Cu selective recovery using glycinate solution were discussed using time-resolved experimental data and kinetic geochemical modeling. Theoretical estimation of carbon mineralization potential of all the existing basalt waste tailings (∼500 million tons) can reach 85.5 MMT CO 2 . A total of 0.786 MMT Cu can be recovered with sodium glycinate, with a value of 7.7 billion USD. In conclusion, this novel application of alkaline glycinate for selective Cu recovery from basalt mine tailings demonstrates the viability of selective metal recovery using a non-hazardous chemical while preserving CO 2 capture potential and presents a potential pathway toward reducing energy-related emissions and providing an unconventional domestic source of critical minerals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Microalgae as a future food source

One of the key challenges that we face in the 21st century is the need to feed an ever-increasing human population with increasingly limited natural resources. Even today it is estimated that roughly 1 out of 9 people in the world are undernourished, of which the most important factor is protein-energy malnutrition. By establishing microalgae as a new food and feed platform, we have the opportunity to increase the supply of these essential products to address global demands in a more efficient and environmentally sustainable way. Many types of algae are nutritionally complete foods, their yields outperform most plant crops, and there is a growing set of tools to develop improved strains of algae. Similar improvements were achieved in traditional crops through thousands of years of breeding and strain selection, whereas with the newest genetic engineering tools and advanced strain selection techniques, similar changes can be implemented in microalgae in just a few years. Here we describe different strategies that could be used to enhance the nutritional content, productivity, and organoleptic traits of algae to help drive development of this new crop. Clearly developing more efficient, sustainable, and nutritious foods and feed would be an enormous benefit for the planet, and algae represents an opportunity to develop a new crop that would complement traditional agriculture, and one that could potential result in a more efficient means to meet the world's food and feed supply.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Energy efficiency and thermal resilience analysis for row houses using representative building energy models

Row houses, a prevalent medium-density urban archetype, were popularized during industrial era to accommodate the working class in the U.S. cities. Today, many of these structures are deteriorating, exacerbating the energy cost for residents with limited economic resources. Moreover, many households that lack Air Conditioning (AC) are vulnerable to extreme summer heat, an issue expected to worsen in the future. Energy-efficient retrofits can help mitigate these challenges. However, current literature provides limited insight into how existing building energy codes impact the energy efficiency and thermal resilience of row houses in current and future weather scenarios. This study provides a detailed method to address this gap by employing calibrated representative energy models of row houses as a baseline, and evaluating the annual energy savings and summertime thermal safety improvements from code compliant retrofits under current and future typical weather conditions. Using Baltimore City as a case study, results show that under current weather, retrofitting row houses yields significant energy savings along with notable thermal resilience improvements. The end unit row house realizes higher energy savings, whereas the interior unit experiences greater thermal resilience improvement after retrofitting. In future, retrofitted row houses can still save energy, but residents will face numerous hours of fatal indoor temperatures without AC in summer. Additionally, findings reveal stark zone-wise variations in thermal safety, and elevated humidity risks in certain zones post-retrofit, emphasizing the need for zonal retrofit strategies and better natural ventilation strategies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Design and evaluation of alphabetic and numeric input methods for virtual reality

In today’s virtual reality (VR), users have various ways to influence their VR experience, including alphanumeric input. While typing characters and numbers is straightforward on desktop computers, it presents challenges and opportunities in head-mounted display VR due to specific interaction methods and a lack of real-world visual stimuli. Addressing these open questions, our work implements and evaluates ten approaches to alphabetic and numeric inputs in VR. Here, we describe the design motivation behind these input methods and evaluate them in a user study with 40 participants divided into groups for alphabetic and numeric keyboards. This comparison investigates each method’s performance and user interactions. Our findings suggest that different input methods significantly impact words per minute and error rates, and that certain keyboard designs may receive better subjective evaluations despite poorer objective performance.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Preface: Special Issue: Catalysis for C1 Chemistry

This document is the preface for a Special Issue published in Catalysis Today that commemorates the career of Professor Jerry Spivey from LSU. It highlights the research contained in the special issue which represent areas in C1 catalytic chemistry where Professor Spivey made significant contributions. These areas include natural gas conversion, Fischer-Tropsch synthesis, superacid catalysis and more.

Fischer-Tropsch↗

DOE OSTI2021

Effect of plasticity on the experimental characterization of the creep property of a cement paste: Spherical vs. conical microindentation

Microindentation is today a powerful tool for rapidly characterizing the elastic modulus and the logarithmic basic creep of a cement paste. However, a theoretical work proved that a microindentation test with a sharp indenter shape involves stress concentration and delayed plasticity which can cause an overestimation of the estimated creep property. This work aims at experimentally investigating the effect of the shape indenter on the identification of the visco-elastic property of a cement paste by microindentation. First, several microindentation grids were carried out on a cement paste with both a Berkovich indenter and a spherical indenter at different penetration depths or load levels for load control (creep) tests or displacement control (relaxation) tests, respectively. As for a visco-elastic material the duality principle between creep and relaxation holds, a numerical method was developed for predicting the relaxation response from the assumed logarithmic creep compliance. The present results show that only spherical microindentation satisfy the duality principle for which creep and relaxation response can be predicted by a unique logarithmic creep compliance function. Finally, spherical microindentation creep tests at low load as well as spherical microindentation relaxation tests provide a greater indentation modulus M and contact creep modulus C{sub v} as likely less affected by possible plasticity effects.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Dynamic beam shaping—Improving laser materials processing via feature synchronous energy coupling

Today, tailored laser beams are rarely used and thus an opportunity to optimize existing or introduce new processes is missed. New methods of dynamic beam shaping have the potential to change that in future. This keynote paper deals with methods allowing a transient energy input into the workpiece at such time scales that the underlying interaction processes are guided towards the desired result. It shows principles, categorizes necessary system technology, and gives application examples to familiarize the reader with the topic. It postulates that time-scale-dependent coupling between transient energy input and addressed process features is key for achieving the optimum.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Current research in low temperature proton exchange membrane-based electrolysis and a necessary shift in focus

While hydrogen has limited use in energy markets today, significant growth is possible in grid storage and as an energy carrier in other sectors. Along with lower electricity prices, further hydrogen cost reduction can enable electrochemical water splitting, particularly as the use of intermittent, renewable power sources increases and the quantity and duration of storage requirements limit electrical storage options. With the improved viability of large-scale hydrogen production, research in low temperature electrolysis has dramatically increased. The overwhelming majority of research efforts within proton exchange membrane-based systems has focused on catalyst development, although a smaller set have developed transport layers as well. As proton exchange membrane-based electrolysis shifts into higher technology readiness levels, however, there is a growing need for work optimizing materials integration, developing component-specific and device-level accelerated stress tests, and addressing manufacturing considerations. These areas directly impact electrolyzer performance, durability, and cost, and are critical to advancing hydrogen’s value and electrochemical water splitting.

08 HYDROGEN↗

DOE OSTI2023

Effect of the ..beta..-Hydroxy Group on Ester Reactivity: Combustion Kinetics of Methyl Hexanoate and Methyl 3-Hydroxyhexanoate

One of the major biofuels used today is biodiesel, composed of fatty acid methyl esters. The fats and oils feedstocks used to make biodiesel are in relatively short supply. To meet increasing global demand, engineered microorganisms have been developed to catalyze conversion of sugar to fatty acid esters that contain unique ..beta..-hydroxy-esters. This study investigated the effect of a hydroxyl group on the combustion characteristics of methyl esters by comparing the chemical behavior of methyl hexanoate (MHx) and methyl 3-hydroxyhexanoate (M3OHHx) - used as surrogates for diesel-boiling-range esters with longer fatty acid chains. The oxidation of these esters was studied experimentally in a flow reactor at 0.84 and 10 bar, 600 to 1,100 K, and stoichiometric conditions; and in a constant volume combustion chamber at 5 and 10 bar, 600 to 900 K, and equivalence ratios of 0.3 and 0.6. MHx was more reactive in the constant volume chamber at temperatures below 800 K at 10 bar and equivalence ratio of 0.6. MHx also exhibited a higher indicated cetane number (16.4) than M3OHHx (8.1). We investigated this reactivity trend using an updated MHx kinetic model and M3OHHx model developed as part of this work. The kinetic models predicted that radicals formed from MHx were consumed by low-temperature chemistry reactions, whereas the M3OHHx reactivity was significantly governed by the ..beta..-radical (on the same carbon as the OH group) chemistry which mainly terminated via the less reactive chain propagation pathway to methyl-3-oxohexanoate + HO2. This study extends our understanding of structural effects on ester reactivity, which will allow for accurate surrogate formulation and performance simulations.

AFIDA↗

DOE OSTI2025

Initial assessment of alternative carbon fiber geometries for design of cost-effective compressive performance: Size effect studies

Carbon fiber provides opportunity to reduce weight in structural composites, including wind turbine blades, due to the material's superior specific stiffness and specific strength compared to alternatives. Despite these advantages, cost and compressive performance are considered weaknesses for carbon fiber products available today. Studies to produce low-cost carbon fiber alternatives, including the use of textile-derived precursor systems, have shown progress and merit through the DOE/ORNL low-cost carbon fiber initiatives. Here, this work focuses on enabling increases in compressive strength through design of the carbon fiber geometry, applicable to both textile and conventional precursor systems, while also providing opportunities to reduce carbon fiber processing costs. Fiber-resin interface and fiber alignment are among the most frequently cited factors controlling composite compressive performance. However, it is believed that there is opportunity in traditionally unexplored routes to increasing compressive strength through alteration of the carbon fiber geometry by increasing the fiber area moment of inertia and/or the fiber perimeter and interfacial area. This paper presents initial results from manufacturing carbon fiber materials to assess the impacts of carbon fiber size on tested composite compressive performance with projected neutral or even beneficial impact on fiber and composite manufacturing economics. Carbon fiber systems with increasing size illustrate a favorable correlation for compressive performance greater than predicted from a micromechanical failure model. The manufacturing and mechanical test results support the hypothesis of this work that alterations to fiber geometry can be used to produce improvements of the compressive strength of carbon fiber reinforced polymers and provide incentive for related work in designing alternative shapes to further enhance compressive performance.

42 ENGINEERING↗

DOE OSTI2023

Recent progress in the synthesis of advanced biofuel and bioproducts

Energy is one of the most complex fields of study and an issue that influences nearly every aspect of modern life. Over the past century, combustion of fossil fuels, particularly in the transportation sector, has been the dominant form of energy release. Refining of petroleum and natural gas into liquid transportation fuels is also the centerpiece of the modern chemical industry used to produce materials, solvents, and other consumer goods. In the face of global climate change, the world is searching for alternative, sustainable means of producing energy carriers and chemical building blocks. The use of biofuels in engines predates modern refinery optimization and today represents a small but significant fraction of liquid transportation fuels burnt each year. Similarly, white biotechnology has been used to produce many natural products through fermentation. The evolution of recombinant DNA technology into modern synthetic biology has expanded the scope of biofuels and bioproducts that can be made by biocatalysts. Furthermore, this opinion examines the current trends in this research space, highlighting the substantial growth in computational tools and the growing influence of renewable electricity in the design of metabolic engineering strategies. In short, advanced biofuel and bioproduct synthesis remains a vibrant and critically important field of study whose focus is shifting away from the conversion of lignocellulosic biomass toward a broader consideration of how to reduce carbon dioxide to fuels and chemical products.

09 BIOMASS FUELS↗

DOE OSTI2022

Machine learning in nuclear materials research

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes with associated transmutations, high temperature and temperature gradients, mechanical stresses, and corrosive coolants. They also have a wide range of microstructural and chemical makeups, resulting in multifaceted and often out-of-equilibrium interactions. Machine learning (ML) is increasingly being used to tackle these complex time-dependent interactions and aid researchers in developing models and making predictions, sometimes with better accuracy than traditional modeling that focuses on one or two parameters at a time. Conventional practices of acquiring new experimental data in nuclear materials research are often slow and expensive, limiting the opportunity for data-centric ML, but new methods are changing that paradigm. Here we review high-throughput computational and experimental data approaches, especially robotic experimentation and active learning that is based on Gaussian process and Bayesian optimization. We show ML examples in structural materials (e.g., reactor pressure vessel (RPV) alloys and radiation detecting scintillating materials) and highlight new techniques of high-throughput sample preparation and characterizations, and automated radiation/environmental exposures and real-time online diagnostics. Herein, this review suggests that ML models of material constitutive relations in plasticity, damage, and even electronic and optical responses to radiation are likely to become powerful tools as they develop. Finally, we speculate on how the recent trends of using natural language processing (NLP) to aid the collection and analysis of literature data, interpretable artificial intelligence (AI), and the use of streamlined scripting, database, workflow management, and cloud computing platforms that will soon make the utilization of ML techniques as commonplace as the spreadsheet curve-fitting practices of today.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Dynamic load balancing with enhanced shared-memory parallelism for particle-in-cell codes

Furthering our understanding of many of today’s interesting problems in plasma physics – including plasma based acceleration and magnetic reconnection with pair production due to quantum electrodynamic effects – requires large-scale kinetic simulations using particle-in-cell (PIC) codes. However, these simulations are extremely demanding, requiring that contemporary PIC codes be designed to efficiently use a new fleet of exascale computing architectures. To this end, the key issue of parallel load balance across computational nodes must be addressed. We discuss the implementation of dynamic load balancing by dividing the simulation space into many small, self-contained regions or ‘‘tiles,’’ along with shared-memory (e.g., OpenMP) parallelism both over many tiles and within single tiles. The load balancing algorithm can be used with three different topologies, including two space-filling curves. Here, we tested this implementation in the code Osiris and show low overhead and improved scalability with OpenMP thread number on simulations with both uniform load and severe load imbalance. Compared to other load-balancing techniques, our algorithm gives order-of-magnitude improvement in parallel scalability for simulations with severe load imbalance issues.

97 MATHEMATICS AND COMPUTING↗