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DOE OSTI2022

Spin-Glass-like State and Reversible Room-Temperature Magnetocaloric Effect in Double Distorted Perovskites Nd(Cu 3– x Mn x )Mn 4 O 12

The preparation, complex magnetic properties and room-temperature magnetocaloric effect in Nd(Cu 3–x Mn x )Mn 4 O 12 with cation distribution (Nd 3+ ) A (Cu 3–x 2+x Mn x 3+ ) A' (Mn 1+x 3+ Mn 3–x 4+ ) B O 12 2– (x = 1 and 1.5) have been reported. Both compounds show a sharp paramagnetic-ferromagnetic (FM) transition at T C of 300 and 280 K, respectively. The substitution of Cu by Mn at the A' site induces the emergence of a spin glass state below ≈63 K for x = 1 and ≈72 K for x = 1.5 compound. Another antiferromagnetic-like magnetic transition is also observed in both compounds at 23 and 28 K, respectively, which is discussed as the antiferromagnetic coupling between Nd 3+ at the A' site and (Mn 3+ /Mn 4+ ) at the B site. These two compounds exhibit room-temperature magnetocaloric effect. For a small field of 2 T, the maximum magnetic entropy changes –ΔS M are 1.5 J/kg K at 300 K and 1.4 J/kg K at 280 K, respectively. Furthermore, the –ΔS M (T) curves show an asymmetric distribution, resulting in high refrigerant capacity values for both compounds. We further demonstrate the distinct roles of the A'- and B-site spins on the magnetic properties and the origin of the spin-glass-like state in double distorted perovskites Ln(Cu 3–x Mn x )Mn 4 O 12 family of compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Hydrous Nickel–Iron Turnbull’s Blue as a High-Rate and Low-Temperature Proton Electrode

Proton batteries are emerging as a promising solution for energy storage; however, their development has been hindered by the lack of suitable cathode materials. Herein, a hydrous Turnbull’s blue analogue (TBA) of Ni[Fe(CN) 6 ] 2/3 ·4H 2 O has been investigated as a viable proton cathode. Particularly, it shows an extremely high rate performance up to 6000 C (390 A g –1 ) at room temperature and delivers good capacity values at a low temperature of -40 °C in an aqueous electrolyte. The excellent rate capability is also amenable to high mass loadings of 10 mg cm –2 . Such fast and low-temperature rate behavior likely stems from the fast proton conduction that is afforded by the Grotthuss mechanism inside the TBA structure. Furthermore, advanced characterization, including in operando synchrotron X-ray diffraction (XRD), and X-ray absorption near-edge structure (XANES) were employed to understand the changes of crystal structures and the oxidation-states of metal elements of the electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Variable Renewable Energy Participation in U.S. Ancillary Services Markets: Economic Evaluation and Key Issues

Variable renewable energy (VRE) is not yet meaningfully participating in U.S. ancillary services (AS) markets. VRE participation in AS markets could provide a new source of revenues for VRE resource owners to offset declining energy and capacity values and a new tool for power system operators to address emerging system constraints. This paper uses a price-taker dispatch model and historical prices to estimate the economic value of standalone and hybrid (battery-paired) VRE participation in AS markets, from resource owner and electricity system perspectives, in each of the seven U.S. independent system operator and regional transmission organization (ISO/RTO) markets. Across ISO/RTO markets, average (2015-2019) simulated incremental revenues from regulation market participation were $\$$0.0-2.9/MWh (+0-15% of revenue without participation) for standalone VRE owners and $\$$1-33/MWh (+1-69%) for hybrid VRE owners. However, ISO/RTO reserve markets are relatively thin and have the potential to become saturated by energy storage projects that are currently in ISO/RTO interconnection queues. In most markets, standalone and hybrid VRE were able to provide regulation reserves during periods with high regulation prices, suggesting that VRE participation in AS markets could have high system value. The analysis highlights the value of separate upward and downward regulation products and suggests that ISOs/RTOs might consider initially focusing on enabling hybrid VRE provision of AS.

14 SOLAR ENERGY↗

DOE OSTI2023

The Role of Hydropower Flexibility in Integrating Renewables in a Low-Carbon Grid

In this study, we looked at the role of hydropower flexibility in variable renewable energy (VRE) integration. Our focus was on facilities that have at least ten hours of storage, i.e., plants that are "dispatchable" and have capacity values similar to that of fossil-fired generation. For our modeling framework, we used NREL's Mid-Case/95% Carbon Reduction by 2035 standard scenario as our foundation. This zonal model is representative of the buildout of a near-zero carbon policy grid in an otherwise "business-as-usual" policy and economic environment. We chose this scenario because it aligns well with the Administration's net-zero carbon grid by 2035 goal.

13 HYDRO ENERGY↗

DOE OSTI2023

Energy Storage and Decarbonization Analysis for Energy Regulators: Technical Analysis for the Illinois Commerce Commission

Jurisdictions around the world are enacting and enforcing an increasing number of policies to fight climate change, leading to higher penetration of variable renewable energy (VRE) and energy storage systems (ESSs) in the power grid. One of the biggest challenges associated with this process is the evaluation of the appropriate amount of ESS required to mitigate the variability of the VREs and achieve decarbonization goals of a particular jurisdiction. This report presents methodologies developed and results obtained for determining the minimum amount of ESS required to adequately serve load in a system where fossil fueled generators are being replaced by VREs over the next two decades. This technical analysis is performed by Sandia National Laboratories for the DOE Office of Electricity Energy Storage Program in collaboration with the Illinois Commerce Commission (ICC). The Illinois MISO Zone 4 is used as a case study. Several boundary conditions are investigated in this analysis including capacity adequacy and energy adequacy to determine the quantity of ESS required for MISO Zone 4. Multiple scenarios are designed and evaluated to incorporate the impact of varying capacity values of VREs and on the resource adequacy of the system. Several retirement scenarios involving fossil-fueled assets are also considered. Based on the current plans of new additions and retirements of generating assets, the results of the technical analysis indicate that Illinois MISO Zone 4 will require a significant quantity of ESS to satisfy their electricity demand over the next two decades.

25 ENERGY STORAGE↗

DOE OSTI2025

American-Made Solar Prize: Edgeli Enables DER Integration (CRADA 615) (Final Report)

The purpose of this project was to demonstrate how granular time series data and automated data transformation, and impact assessment tools could speed interconnection approvals for distributed energy resource projects of various types and sizes. Types included community solar, rooftop solar, and EV charging projects. Using software routines to automate the transformation of data (e.g. GIS) to a network database and power flow model then applying scenarios to create hourly (8760) hosting capacity values and voltage and thermal impacts for specific projects, we were able to demonstrate the feasibility of quickly assembling and analyzing key utility data sets for interconnection purposes. The outcomes of this effort will become the foundation for future work that will enhance and encapsulate the software components developed as part of this project, into web services (e.g. APIs) that can be integrated into queue management systems and automate interconnection screening processes.

14 SOLAR ENERGY↗

DOE OSTI2024

Hydrogen Production and Li-Ion Battery Performance with MoS2-SiNWs-SWNTs@ZnONPs Nanocomposites

This study explores the hydrogen generation potential via water-splitting reactions under UV-vis radiation by using a synergistic assembly of ZnO nanoparticles integrated with MoS2, single-walled carbon nanotubes (SWNTs), and crystalline silicon nanowires (SiNWs) to create the MoS2-SiNWs-SWNTs@ZnONPs nanocomposites. A comparative analysis of MoS2 synthesized through chemical and physical exfoliation methods revealed that the chemically exfoliated MoS2 exhibited superior performance, thereby being selected for all subsequent measurements. The nanostructured materials demonstrated exceptional surface characteristics, with specific surface areas exceeding 300 m2 g−1. Notably, the hydrogen production rate achieved by a composite comprising 5% MoS2, 1.7% SiNWs, and 13.3% SWNTs at an 80% ZnONPs base was approximately 3909 µmol h−1g−1 under 500 nm wavelength radiation, marking a significant improvement of over 40-fold relative to pristine ZnONPs. This enhancement underscores the remarkable photocatalytic efficiency of the composites, maintaining high hydrogen production rates above 1500 µmol h−1g−1 even under radiation wavelengths exceeding 600 nm. Furthermore, the potential of these composites for energy storage and conversion applications, specifically within rechargeable lithium-ion batteries, was investigated. Composites, similar to those utilized for hydrogen production but excluding ZnONPs to address its limited theoretical capacity and electrical conductivity, were developed. The focus was on utilizing MoS2, SiNWs, and SWNTs as anode materials for Li-ion batteries. This strategic combination significantly improved the electronic conductivity and mechanical stability of the composite. Specifically, the composite with 56% MoS2, 24% SiNWs, and 20% SWNTs offered remarkable cyclic performance with high specific capacity values, achieving a complete stability of 1000 mA h g−1 after 100 cycles at 1 A g−1. These results illuminate the dual utility of the composites, not only as innovative catalysts for hydrogen production but also as advanced materials for energy storage technologies, showcasing their potential in contributing to sustainable energy solutions.

Chemistry↗

NASA NTRS1986

Heat capacity, enthalpy of mixing, and thermal conductivity of Hg(1-x)Cd(x)Te pseudobinary melts

Heat capacity and enthalpy of mixing of Hg(1-x)Cd(x)Te pseudobinary melts were calculated assuming an associated solution model for the liquid phase. The thermal conductivity of the pseudobinary melts for x = 0, 0.05, 0.1, and 0.2 was then calculated from the heat capacity values and the experimental values of thermal diffusivity and density for these melts. The thermal conductivity for the pseudobinary solid solution is also discussed.

Su, Ching-Hua↗

NASA NTRS1989

Determination of the heat capacities of Lithium/BCX (bromide chloride in thionyl chloride) batteries

Heat capacities of twelve different Lithium/BCX (BrCl in thionyl chloride) batteries in sizes AA, C, D, and DD were determined. Procedures and measurement results are reported. The procedure allowed simple, reproducible, and precise determinations of heat capacities of industrially important Lithium/BCX cells, without interfering with performance of the cells. Use of aluminum standards allowed the accuracy of the measurements to be maintained. The measured heat capacities were within 5 percent of calculated heat capacity values.

Kubow, Stephen A.↗

NASA NTRS1999

Dimensionless Numbers Expressed in Terms of Common CVD Process Parameters

A variety of dimensionless numbers related to momentum and heat transfer are useful in Chemical Vapor Deposition (CVD) analysis. These numbers are not traditionally calculated by directly using reactor operating parameters, such as temperature and pressure. In this paper, these numbers have been expressed in a form that explicitly shows their dependence upon the carrier gas, reactor geometry, and reactor operation conditions. These expressions were derived for both monatomic and diatomic gases using estimation techniques for viscosity, thermal conductivity, and heat capacity. Values calculated from these expressions compared well to previously published values. These expressions provide a relatively quick method for predicting changes in the flow patterns resulting from changes in the reactor operating conditions.

Kuczmarski, Maria A.↗

NASA NTRS2000

Long Life Nickel Electrodes for Nickel-Hydrogen Cells: Fiber Substrates Nickel Electrodes

Samples of nickel fiber mat electrodes were investigated over a wide range of fiber diameters, electrode thickness, porosity and active material loading levels. Thickness' were 0.040, 0.060 and 0.080 inches for the plaque: fiber diameters were primarily 2, 4, and 8 micron and porosity was 85, 90, and 95%. Capacities of 3.5 in. diameter electrodes were determined in the flooded condition with both 26 and 31% potassium hydroxide solution. These capacity tests indicated that the highest capacities per unit weight were obtained at the 90% porosity level with a 4 micron diameter fiber plaque. It appeared that the thinner electrodes had somewhat better performance, consistent with sintered electrode history. Limited testing with two-positive-electrode boiler plate cells was also carried out. Considerable difficulty with constructing the cells was encountered with short circuits the major problem. Nevertheless, four cells were tested. The cell with 95% porosity electrodes failed during conditioning cycling due to high voltage during charge. Discharge showed that this cell had lost nearly all of its capacity. The other three cells after 20 conditioning cycles showed capacities consistent with the flooded capacities of the electrodes. Positive electrodes made from fiber substrates may well show a weight advantage of standard sintered electrodes, but need considerably more work to prove this statement. A major problem to be investigated is the lower strength of the substrate compared to standard sintered electrodes. Problems with welding of leads were significant and implications that the electrodes would expand more than sintered electrodes need to be investigated. Loading levels were lower than had been expected based on sintered electrode experiences and the lower loading led to lower capacity values. However, lower loading causes less expansion and contraction during cycling so that stress on the substrate is reduced.

Rogers, Howard H.↗

NASA NTRS2020

High-capacity ATHLETE Offloader Mobility Constructor Concept for Human Surface Exploration

Using cross-cabled, winch-tendon four-bar frames, a new Artemis-class ATHLETE system is a multi-limbed robotic mobility platform that is designed for surface traverse, precision placement, and offloading of heavy habitats and other large human exploration payloads from high-decked landers. Building upon lessons learned from the All-Terrain Hex-Limbed Extra-Terrestrial Explorer (ATHLETE) robotic mobility system developed for Constellation Lunar Surface Systems and Evolvable Mars Campaign, a high-capacity articulated crane / lift vehicle concept has been devised that would be equipped with multi-limb six-degree-of-freedom dexterity for a variety of tasks supporting planetary surface human exploration missions and outposts. The Artemis-class ATHLETE vehicle would use any combination of three to six wheel-onlimb combinations to provide a wide “outrigger” stance to transfer loads from a high center-of-gravity on sloped terrain to low stable carry configurations for long-distance traverses, and be capable of precision docking of payloads to previously positioned elements. The new vehicle concept improves upon previous Constellation-class ATHLETE versions by allowing modular hot-swapping of individual limbs to improve maintenance and flexibility. The extreme-capacity independent limbs can individually function as single cranes, and can be delivered separately via multiple lander manifests for later congregation into self-driving “Tri-ATHLETE” vehicles after delivery to the surface. This paper provides mission architecture targets and vehicle masses for stepped payload capacity values in Earth, Mars, and Lunar gravity environments, and discusses a variety of swappable tools, including wheeled mobility attachments, grippers, excavation tools, repair fixtures, ISRU extraction, winches, block & tackle rigging combinations, 3D printheads, and construction aids.

Wilcox, Brian↗

DOE OSTI2021

Grid Service Values of Generic Marginal Building Flexibility in Modeled 2030 U.S. Power Systems

The datasets include the capacity, energy, and ancillary service values of a marginal kilowatt-hour (kWh) of generic, daily, shiftable building flexibility as a presumed market entrant in the 2030 U.S. power systems. The results should be interpreted along with the caveats listed in "Valuation of Building Flexibility: Grid Service Value for Initial Market Entrants in Projected 2030 United States Power Systems", which also documents the methods used for the study. The factors examined in the study include: grid scenario, region, original usage hour in the day (local time), and building flexibility parameters - efficiency, dissipation, and shifting window include max pre-shift and max post-shift. Filenames in the datasets: The filenames contain information on the grid scenario, and the building flexibility efficiency and dissipation. For example: MidCase_2030_efficiency1.25_dissipation0.05_value.csv contains all results under Mid RE 2020, efficiency = 1.25, and dissipation = 0.05. * MidCase = Mid RE Each .csv file contains: region: The location of the building flexibility, aligned with U.S. Energy Information Administration (EIA) National Energy Modeling System (NEMS) Electricity Market Module regions. max_pre_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift earlier. max_post_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift later. local_datetime: Original datetime of 1kWh of building energy consumption. local_orig_h: Original usage hour (1-24) of building energy consumption, ignores daylight saving. local_shift_to: The datetime to when building energy consumption shifts, if shifting happens. If no shifting occurs, this cell is left blank. energy: Net energy value of energy shifting. capacity: Net capacity value of energy shifting. shifting_value: Net energy plus capacity value of energy shifting. spin: Spin reserve value at the original datetime of consumption. flex: Flexible reserve value at the original datetime of consumption. reg: Regulation reserve value at the original datetime of consumption. total_profit: Assuming the building flexibility is capable of providing energy, capacity, and ancillary services, total profit is the maximum value of energy shifting value, spin reserve value, flexible reserve value, and regulation reserve value - one of the four choices at any given hour - because we do not allow its value to be double-counted.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

The Value of Increased HVDC Capacity Between Eastern and Western U.S. Grids: The Interconnections Seam Study

The Interconnections Seam Study examines the potential economic value of increasing electricity transfer between the Eastern and Western Interconnections using high-voltage direct-current (HVDC) transmission and cost-optimizing both generation and transmission resources across the United States, proposing, assessing, justifying, and illustrating a major infrastructure change involving two of the worlds largest power grids. The study conducted a multi-model analysis that used co-optimized generation and transmission expansion planning and production cost modeling. Four transmission designs under eight scenarios were developed and studied to estimate costs and potential benefits. The results show benefit-to-cost ratios that reach as high as 2.5, indicating significant value to increasing the transmission capacity between the interconnections under the cases considered, realized through sharing generation resources and flexibility across regions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

The Value of Increased HVDC Capacity Between Eastern and Western U.S. Grids: The Interconnections Seam Study

The Interconnections Seam Study examines the potential economic value of increasing electricity transfer between the Eastern and Western Interconnections using high-voltage direct-current (HVDC) transmission and cost-optimizing both generation and transmission resources across the United States. The study conducted a multi-model analysis that used co-optimized generation and transmission expansion planning and production cost modeling. Four transmission designs under eight scenarios were developed and studied to estimate costs and potential benefits. The results show benefit-to-cost ratios that reach as high as 2.9, indicating significant value to increasing the transmission capacity between the interconnections under the cases considered, realized through sharing generation resources and flexibility across regions.

13 HYDRO ENERGY↗

DOE OSTI2025

Empirical Indicators of Transmission Value in the Southeast United States

Concurrent differences in energy price between different parts of the electric grid are a key indicator of the value of additional transmission. In areas without a wholesale electricity market, such as the Southeast, an alternative indicator to price is the Federal Energy Regulatory Commission’s (FERC) system lambda data. This economic metric represents the minimized marginal production costs of thermal generators, including fuel and other variable operation and maintenance expenses. Balancing Authorities report a single system lambda for their entire balancing area. Most Southeastern lambdas exhibit sufficient price variation to support a transmission valuation analysis, although incomplete accounting of congestion costs or scarcity rents during peak load hours may underestimate the true value of transmission capacity. With transmission value defined as the annual average hourly absolute price difference between two regions and FERC’s system lambda data used as a price proxy, we find the following results in the Southeast region during 2012-2023 (reported in $\$2024$/MWh): Intra‐regional findings: Annual averages historically span $\$2$–$\$28$/MWh and average $\$12$/MWh in SERTP and span $\$4$–$\$19$/MWh and average $\$9$/MWh in FRCC, disregarding transmission value driven by anomalous data. The ranges of transmission value reported here are large, spanning an order of magnitude in some cases. Much of this variation is driven by year-to-year changes, with 2022 having a particularly high intra-regional transmission value due to elevated natural gas prices. Inter‐regional corridors: Annual average transmission values across three broader regions range from $\$6$ to $\$28$/MWh with a long-term average of $\$11$/MWh. Much of the transmission value is concentrated in a small portion of hours. Across all regions, severe weather—particularly polar vortex events in January 2018, February 2021, and December 2022—drives the largest price spreads. Seasonal patterns also emerge, with summer afternoons and fall mornings contributing consistently to transmission value, as for example between MISO and SOCO in 2023.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Group additivity values for entropy and heat capacities of C 2 –C 8 alkanes, alkyl hydroperoxides, and their radicals

Group additivity values for the thermodynamic properties of oxygenated radicals are poorly determined due to the absence of high quality reference data. Here, a set of 58 group additive values (GAV) for the standard entropy and heat capacity of relevance to alkane oxidation is derived from fits to an extensive and accurate database of standard entropies (298.15 K) and heat capacities (300–3000 K) recently calculated with the “STAR-1D” formalism. The 192 species in this database represent the alkanes (RH), alkyl radicals ($\dot{R}$), alkyl hydroperoxides (RO 2 H), alkyl-peroxy (R$\dot{O}$ 2 ) and hydroperoxy-alkyl ($\dot{Q}$OOH) radicals for all of the isomers of C 2 –C 5 alkane fuels and a select number of isomers of C 6 –C 9 species. The STAR-1D thermochemical data for this set of species was previously obtained from a coupling of scaled B2PLYPD3/cc-pVTZ vibrational analyses with scaled ωB97X-D/cc-pVTZ one-dimensional hindered rotor corrections. The 2σ uncertainties in the GAV results relative to the STAR-1D data set are 2.4 cal K –1 mol –1 for the entropies and at most 2.0 cal K –1 mol –1 for the heat capacities in the temperature range 500–800 K. The 2σ fitting uncertainties in the heat capacity gradually reduce at higher temperatures reaching a value of 0.8 cal K –1 mol –1 at 2000 K decreasing to only 0.5 cal K –1 mol –1 at 3000 K. The high degree of accuracy for the GAV representations is obtained through the introduction of various new group terms, together with the re-optimization of existing group terms. Among the full set of 58 GAV terms, 25 include non-next-nearest neighbor interactions (NNI) and β-corrections. The updated GAVs can be applied in the prediction of entropies and heat capacities for a wide range of hydrocarbons and hydroperoxide species and their radicals, which is important to the accurate prediction of fuel reactivity at low-temperatures in the range 600–1000 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Capacity Density Considerations for Offshore Wind Plants in the United States

The United States is a rapidly emerging market for offshore wind energy, with a project pipeline estimated at over 52 GW as of May 31, 2023 (Musial et al. 2023). The capacity density, measured in megawatts per square kilometer (MW/km 2 ), is a crucial parameter for estimating the magnitude of the development pipeline and the nameplate potential of existing lease areas. The offshore wind energy industry is comprised of diversity of participants, including developers, governmental bodies, investors, environmental advocacy groups, and researchers. These various stakeholders use capacity density in different ways as a key metric for evaluating the potential of individual offshore wind lease area or even a section of ocean space. This report presents our assessment of capacity density values in the current pipeline of emerging U.S. offshore wind farms and a detailed list of the main factors that influence capacity density. This understanding is critical for planning of future lease areas, for estimating the technical resource potential for offshore wind on the U.S. outer continental shelf (OCS), and for estimating ocean space requirements needed for meeting state and national goals for a carbon neutral energy transition.

17 WIND ENERGY↗