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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Techno-economic and life-cycle assessment of fuel production from mixotrophic Galdieria sulphuraria microalgae on hydrolysate

Outdoor photoautotrophic algal growth is limited by light attenuation and attendant respiratory CO 2 losses during dark periods, limiting its productivity potential and carbon use efficiency. Developing a system that leverages mixotrophic growth (combining the benefits of both heterotrophic and photoautotrophic growth) has the potential to dramatically improve the total productivity and economics of the system. However, it is unknown if the productivity gains offset the added costs of outdoor mixotrophic cultivation using cellulosic hydrolysate as the feedstock. In this study, corn stover-derived cellulosic sugars were evaluated as the mixotrophic organic carbon source for the cultivation of Galdieria sulphuraria, which can metabolize both glucose and xylose from corn stover hydrolysate. A techno-economic analysis (TEA) and a life-cycle assessment (LCA) were conducted based on a detailed engineering process model for both glass helical photobioreactor and covered pond cultivation platforms, coupled with downstream conversion and upgrading to renewable diesel through hydrothermal liquefaction. Results show the minimum biomass selling price for cultivation in the photobioreactor design assuming a productivity of 1.575 kg m -3 day -1 and a substrate yield of 0.57 g g -1 is $2869 per dry metric ton. The costs are dramatically reduced in the covered pond design which assumes a productivity of 0.8 kg m -3 day -1 and a substrate yield of 0.7 g g -1 , 921 dollars per dry metric ton. Expanding the system boundary to include downstream processing results in a minimum fuel selling price of 8.24 dollars and 3.32 dollars dm 3 GE -1 for the photobioreactor and covered pond systems, respectively. Finally, life-cycle results demonstrate a global warming potential of 339 and 9.1 gCO 2 -eq. MJ -1 on a well-to-wheels basis and a net energy ratio of 2.21 and 0.25 MJ MJ -1 for the photobioreactor and covered pond systems, respectively. Discussion focuses on a required co-product selling price as a function of biomass diversion to meet economic parity with conventional fuels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Accumulation of Large Ion Populations with High Ion Densities and Effects Due to Space Charge in Traveling Wave-Based Structures for Lossless Ion Manipulations (SLIM) IMS-MS

The accumulation of very large ion populations in traveling wave (TW)-based Structures for Lossless ion Manipulations (SLIM) has been studied to better understand aspects of ‘in-SLIM’ ion accumulation, and particularly its use in conjunction with ion mobility spectrometry (IMS). A linear SLIM ion path was implemented that had a ‘gate’ for blocking and accumulating ions for arbitrary time periods. Removing the gate potential caused ions to exit and the spatial distributions of accumulated ions were examined. The ion populations for a set of peptides were observed to increase with increased accumulation times until space change effects became significant, after which the peptide precursor ion populations decreased due to growing space charge-related ion activation, reactions, and losses. Ions closest to the gate were preferentially activated, and increasingly so with added storage times, TW amplitude, and the size of the total ion population. For analytical applications, we found that relatively weak TWs in the accumulation/storage region should be utilized to prevent or minimize ion losses and/or ion heating effects that can also lead to fragmentation. Our results further indicate that an accumulation region close to the SLIM entrance is advantageous for both speeding accumulation, minimizing ion heating, and avoiding ion population profiles that result in IMS peak tailing. Importantly, space charge-driven separations were observed for large populations of accumulated species and attributed to the opposing effects of space charge and the TW. In these separations, ion species form distributions or peaks, sometimes moving against the TW, and ordered in the SLIM based on their mobilities. Such separations may offer utility for ion pre-fractionation of ions and increasing the dynamic range measurements, increasing the resolving power of IMS separations by decreasing peak widths for accumulated ion populations, and other purposes benefitting from separations of extremely large ion populations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

WellPINN: Accurate Well Representation for Transient Fluid Pressure Diffusion in Subsurface Reservoirs With Physics‐Informed Neural Networks

Accurate representation of pumping wells is essential for reliable reservoir characterization and simulation of operational scenarios in subsurface flow models. Physics-informed neural networks (PINNs) are emerging as a promising alternative to numerical models for reservoir modeling, offering seamless integration of monitoring data and governing physical equations. However, existing PINN-based studies face major challenges in capturing fluid pressure near wells when using a source/sink term, particularly during the early stages after pumping begins. We address this problem by introducing WellPINN, a workflow in which an initially trained PINN infers fluid pressure across the entire reservoir domain using a large equivalent well radius. This initial PINN solution is then locally refined around the well by a set of subdomain PINNs that are trained for smaller equivalent well radii. Continuity across these subdomain interfaces as well as at the initial condition is ensured by hard-constraining each PINN on its subdomain boundary. Our results demonstrate WellPINN as the first workflow of its kind to focus on accurate inference of fluid pressure from pumping rates throughout the entire injection period, significantly advancing the potential of PINNs for inverse modeling and operational scenario simulations. All data and code for this paper are openly available at https://doi.org/10.20350/DIGITALCSIC/17260.

58 GEOSCIENCES↗
DOE OSTI2020

Investigation of flow regimes in arc plasma–gas interactions using a two-temperature arc in crossflow model

The perpendicular impingement of a gas stream on an electric arc, a configuration known as the arc in crossflow, is of primary relevance in the study of plasma-gas interactions, as well as in industrial applications such as circuit breakers and wire-arc spraying. The flow dynamics in the arc in crossflow are the result of coupled fluid-thermal-electromagnetic phenomena accompanied by large property gradients, which can produce significant deviations from Local Thermodynamic Equilibrium (LTE) among electrons and gas species. These characteristics can lead to the establishment of distinct flow regimes depending on the relative values of the controlling parameters of the system, such as inflow velocity, arc current, and inter-electrode spacing. A two-temperature non-LTE (NLTE) model is used to investigate the arc dynamics and the establishment of flow regimes in the arc in crossflow. The plasma flow model is implemented within a nonlinear Variational Multiscale (VMS) numerical discretization approach that is less dissipative, and hence better suited to capture unstable behavior, than traditional VMS methods commonly used in computational fluid dynamics simulations. The Reynolds and the Enthalpy dimensionless numbers, characterizing the relative flow strength and arc strength, respectively, are chosen as the controlling parameters of the system. Simulation results reveal the onset of dynamic behavior and the establishment of steady, periodic, quasi-periodic, and chaotic or potentially turbulent, regimes, as identified by distinct spatiotemporal fluctuations. The computational findings reveal the role of increasing the relative arc strength on enhancing flow stability by delaying the growth of fluctuating and unstable flow behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

On the theory of nonhomogeneous nonequilibrium superconductivity in 2D systems with massless fermions

Here we analyze static and nonequilibrium superconducting properties of a 2D relativistic-like model system with local electron-electron interaction, Rashba spin-orbit interaction αR in presence of time-dependent in-plane magnetic field H(t). It is shown that similar to the 2D case with ordinary massive quasiparticle dispersion ε(k)~|k| 2 at large fields, such a system demonstrates a nonhomogeneous superconducting stripe phase with the order parameter Δ(r)=Δ(0)cos(2[μ B B×r]n/$\hbarυ_F$) (B is the magnetic induction, υF is the Fermi velocity, n is the normal to the plane, μ B is the Bohr magneton, and αR$\ll$υF) where the stripes are oriented along the B direction. In the considered system, the inter-stripe period L and the magnitude of the magnetic field B are related by a universal relation BL=$\hbarυ_F$/μ B ≃0.714∙10 -4 Tm. Contrary to the case of massive quasiparticles, where the condition α R ~υ F can be, in principle, satisfied by increasing α R or by charge doping (Fermi velocity decreasing), in a relativistic-like system, where υF is doping-independent and one-two orders of magnitude larger than typical Fermi velocity in the “standard” 2D systems, the stripe phase can be the ground state at a rather low doping level. We also analyzed the nonequilibrium properties of the system with a focus on the melting of the stripe order (when the magnetic field is quenched to a lower value) and stripe dynamics (when the field is rotated by 90° degrees) and found several notable results. In particular, it was shown that the stripe domains melt according to law R~1$\sqrt{t}$ at initial times, while at longer times they shrink exponentially. In the case of the flipped magnetic field, the stripe orientation gradually turns from x- to y-direction, and the intermediate “crossed-stripe” phase takes place during times of order of picoseconds. Such a crossed phase is built of periodic superconducting bubbles that potentially may have applications in modern ultrafast superconducting technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Salinity–induced limits to mangrove canopy height

Aim: Mangrove canopy height is a key metric to assess tidal forests' resilience in the face of climate change. In terrestrial forests, tree height is primarily determined by water availability, plant hydraulic design, and disturbance regime. However, the role of water stress remains elusive in tidal environments, where saturated soils are prevalent, and salinity can substantially affect the soil water potential. Location: Global. Time Period: The canopy height dataset provides a global snapshot of the maximum mangrove height geographical distribution for the year 2000. Climate and environmental variables extend over the period 1970–2018. Major Taxa Studied: Mangroves. Methods: We use global observations of maximum canopy height, species richness, air temperature, and seawater salinity—a proxy of soil water salt concentration—to explore the causal link between salinity and mangrove stature. Results: Our findings suggest that salt stress limits mangrove height. High salinity favours more salt-tolerant species, narrowing the spectrum of viable traits. Highly salt-tolerant mangroves have evolved to cope with high salt concentrations in the soil, but this adaptation comes at a cost. They typically have lower rates of photosynthesis and growth, resulting in reduced productivity and smaller stature compared to more salt-sensitive mangrove species. This suggests a causal link between salinity, biodiversity, and tree height, where high salinity selects for more salt-tolerant species that tend to be less productive and shorter. Conclusions: We hypothesize that the salinity-induced limit to mangrove canopy height is the direct result of a reduction of primary productivity, an increment in the risk of xylem cavitation, and an indirect consequence of the decrease in biodiversity. As sea-level rise enhances coastal salinisation, failure to account for these effects can lead to incorrect estimates of future carbon stocks in Tropical coastal ecosystems and endanger preservation efforts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

COVID-19 Data Curation Effort: An Initial Analysis of the Data

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a county level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes, combined with the unpredictable shifts in data format, meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. Further, the team had to scale up staff and widen its approach for capture and storage. As a result, the team collected more than 11 million data points. Following the close of this data collection effort on June 30 th , 2020, the team embarked on a major effort to appraise what had been collected, including an inventory list, spatial completeness, temporal completeness, scale and geographic characteristics, and a determination. A report on this matter was submitted on September 15 th , 2020, titled “DOE COVID-19 Data Curation Effort: Overview of Data Collection Coverage”. Over 2000 unique attributes had been netted over a wide range of spatial scales, including state, county, zip codes, health regions, and census blocks. Over 11 million individual data points were collected across these attributes, and spatial coverage (in total) included all 50 states and multiple territories. What became apparent in the process is that in the absence of any data standards, many states reported a wide variety of unique attributes that were not always compatible with attributes reported in other states. As time continued, states began adding new attributes and offering finer grain detail in some older attributes. This meant that not all data streams existed for the entire time period; in fact, the number tended to increase dramatically towards the end. Often, states would begin an attribute series and then stop altogether. These highly variable and uncertain conditions illuminated the need for harmonization approaches that would reconcile and conflate changing attribute names and detail over time. For example, grouping racial data reported as either Black or African American, depending on the state, into a single harmonized attribute. These choices would make a within-state analysis possible during the time period and lead to potential between-state analytics later on. This was almost entirely a manual decision process, requiring some subjective decision-making at times, to prevent a fragmented, short-lived collection of time series fragments that would offer few insights into trends, patterns, and correlates. This report imports harmonized data for state and county into the World Spatio-Temporal Analytics and Mapping Project (WSTAMP). WSTAMP is a major space-time analysis and visualization tool developed at ORNL for the National Geospatial-Intelligence Agency specifically for this kind of exploratory analysis. WSTAMP offers a rich analytical and graphical environment consisting of a wide range of analytics. These include time series plots, statistical summaries, data mining techniques, trend and pattern detection, and hypothesis generation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Waveguides for neurostimulation in the cochlea

Introduction Optical stimulation has been suggested for neural stimulation to improve cochlear implants. Light allows for more spatially selective activation of neuron populations than electrical current, offering more independent frequency bands along the spiral ganglion. These bands are available to encode acoustic information with anticipated better frequency resolution, improving cochlear implant user performance in noisy listening environments, tonal languages, and music perception. Methods Optical cochlear implants (oCIs) can deliver light either directly via small emitters within the cochlea or via waveguides from external optical sources. We investigated three waveguide designs made from OrmoComp ® , a polymer that cures through ultraviolet (UV) radiation. Waveguides were fabricated via injection molding and coated using dip-coating or thermal reflow, or through aspiration of OrmoComp ® into polyimide tubing that served as the cladding of the waveguide. The choice of fabrication technique directly determined the waveguides' total diameter: thermal reflow yielded ≈940 μm, dip-coating produced ≈306 μm, and aspiration resulted in ≈132 μm core diameter waveguides. Given the human cochlea's small size, we focused on analyzing the 306-μm and 132-μm waveguides, evaluating their optical performance (propagation and bending losses) and mechanical properties (bending stiffness and insertion forces). Furthermore, we evaluated some of these designs in in-vivo guinea pigs experiments. Results For the 100-μm core diameter waveguides, the propagation losses were 12.34 ± 1.26, 1.18 ± 0.88, 1.49 ± 0.58, and 3.43 ± 0.68 dB/cm at 534, 1,375, 1,460, and 1,550 nm, respectively. The respective bending losses at a 2 mm radius of curvature were 5.50 ± 1.32, 0.56 ± 0.26, 0.79 ± 0.18, and 0.64 ± 0.23 dB, and at 1 mm 8.54 ± 1.30, 2.05 ± 0.84, 2.11 ± 0.50, and 1.44 ± 0.37 dB. The bending stiffness of a 1 mm segment of the 100-μm-diameter waveguides was 18.9 ± 2.2 N/m. Insertion forces for the 100-μm-diameter waveguides into an acrylic human-size scala tympani model were < 25 mN. For the waveguides with 306 and 940 μm total diameter, the propagation losses ranged between 0.43 and 2.40 dB/cm at 534, 680, 1,375, and 1,550 nm, between 2.19 and 3.78 dB/cm at 450 and 1,460 nm. Bending losses for 360 degrees at 1,375 nm were 5.0, 2.4, and 0.46 for a bending radius of 2.5-, 3-, and 4-mm. Discussion Our study demonstrated that the polymer OrmoComp ® is suitable for fabricating waveguides to transmit near-infrared radiation. In-vivo experiments showed optically evoked auditory responses originating from optical stimulation in the guinea pigs' first cochlear turn while radiation was delivered. Incoming experiments will focus on evaluating long-term performance of these waveguides in guinea pigs and cats. This study will be designed to provide insights into the waveguides' performance and biocompatibility over extended periods, essential for their potential clinical application in future oCIs.

Kim, Matthew↗
DOE OSTI2020

A Climatology and Extreme Value Analysis of Large Hail in China

In this paper, hail size records are analyzed at 2254 stations in China and a hail size climatology is developed based on gridded hail observations for the period 1960–2015. It is found that the annual percentiles of hail size records changed sharply and national-wide after 1980, therefore two periods, 1960–79 and 1980–2015, are studied. There are some similarities between the two periods in terms of the characteristics of hail size such as the spatial distribution patterns of mean annual maximum hail size and occurrence week of annual maximum hail size. The 1980–2015 period had higher observation density than the 1960–79 period, but showed smaller mean annual maximum hail size, especially in northern China. In the majority of grid boxes, the annual maximum hail size experienced a decreasing trend during the 1980–2015 period. A Gumbel extreme value model is fitted to each grid box to estimate the return periods of maximum hail size. The scale and location parameter of the fitted Gumbel distributions are higher in eastern China than in western China, thereby reflecting a greater likelihood of large hail in eastern China. In southern China, the maximum hail size exceeds 127 mm for a 10-yr return period, whereas in northern China maximum hail size exceeds this threshold for a 50-yr return period. Furthermore, the Gumbel model is found to potentially underestimate the maximum hail size for certain return periods, but provides a more informed picture of the spatial distribution of extreme hail size and the regional differences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Energy Storage and the Law of Averages: How Storage Can Make Electricity More Affordable

The electric grid is planned, built, and operated to satisfy peak demand. But because peak demand only occurs for a few hours per year, customers end up paying full price for grid infrastructure that is only used for a small fraction of the year—an increasingly expensive proposition as peak demand continues to grow and more infrastructure is required to meet it. The emergence of cost-competitive energy storage technologies in recent years, however, offers the potential for a grid that is planned, built, and operated based on average demand. By strategically siting and operating energy storage throughout the electric grid, excess generation in low-demand periods can be captured and stored near customers, which then reduces the amount of electricity that needs to be generated and moved through the transmission and distribution systems during high-demand periods. This paper describes these potential benefits, supported by real-world examples of energy storage projects that have created cost savings, which points to the potential for profound and far-reaching reductions in the cost of electricity if energy storage technologies are deployed at scale throughout the electric grid. These examples will be of use to system planners and operators, utility regulators, decision makers, and stakeholders in those processes as they look for opportunities to reduce the cost of electricity in their respective systems and jurisdictions.

25 ENERGY STORAGE↗
DOE OSTI2021

Peeling back the layers: Investigating the effects of polyelectrolyte layering on surface structure and stability of oil-in-water nanoemulsions

Layer-by-layer deposition of polyelectrolytes is a useful technique for modifying surface functionalities. For drug delivery systems, alternating layers of biopolymers coat nanoemulsions, which house and protect the cargo until the time and destination of delivery. In this report we investigate molecular factors contributing to the stability and interfacial properties of nanoemulsions prepared by a co-adsorption of polymers poly(styrene sulfonate) and polyethylenimine (PEI), and surfactant dodecyltrimethylammonium bromide. We hypothesize the interplay between electrosteric and hydrophobic effects upon multi-polymer co-adsorption contributes to both macroscopic and molecular-level interfacial properties of nanoemulsions. To probe interfacial layering properties, we use vibrational sum frequency scattering spectroscopy with ζ -potential measurements to determine the adsorptive behavior and molecular conformational arrangement of the polymer layers. Complementing these interfacial studies are dynamic light scattering experiments measuring the nanoemulsion size distribution and polydispersity index over a 30-day period. Our light scattering, ζ -potential, and spectroscopic results of the nanoemulsion surface show that the duration of droplet stability and the degree of molecular orientation of adsorbed polymers can be tuned by surfactant concentration, PEI concentration, and pH. These results illustrate how molecular surface properties of multi-polymer coated nanoemulsions contribute to synergistic effects and droplet stability, enabling advancements in applications surrounding biopharmaceuticals, cosmetics, and food sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Supramolecular dynamic binary complexes with pH and salt-responsive properties for use in unconventional reservoirs

Hydraulic fracturing of unconventional reservoirs has seen a boom in the last century, as a means to fulfill the growing energy demand in the world. The fracturing fluid used in the process plays a substantial role in determining the results. Hence, several research and development efforts have been geared towards developing more sustainable, efficient, and improved fracturing fluids. Herein, we present a dynamic binary complex (DBC) solution, with potential to be useful in the hydraulic fracturing domain. It has a supramolecular structure formed by the self-assembly of low molecular weight viscosifiers (LMWVs) oleic acid and diethylenetriamine into an elongated entangled network under alkaline conditions. With less than 2 wt% constituents dispersed in aqueous solution, a viscous gel that exhibits high viscosities even under shear was formed. Key features include responsiveness to pH and salinity, and a zero-shear viscosity that could be tuned by a factor of ~280 by changing the pH. Furthermore, its viscous properties were more pronounced in the presence of salt. Sand settling tests revealed its potential to hold up sand particles for extended periods of time. In conclusion, this DBC solution system has potential to be utilized as a smart salt-responsive, pH-switchable hydraulic fracturing fluid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Repository-Scale Performance Assessment Incorporating Postclosure Criticality

A key objective of the United States Department of Energy’s (DOE) Office of Nuclear Energy’s Spent Fuel and Waste Science and Technology Campaign is to better understand the technical basis, risks, and uncertainty associated with the safe and secure disposition of spent nuclear fuel (SNF) and high-level radioactive waste. Commercial nuclear power generation in the United States has resulted in thousands of metric tons of SNF, the disposal of which is the responsibility of the DOE (Nuclear Waste Policy Act of 1982, as amended). Any repository licensed to dispose of SNF must meet requirements regarding the long-term performance of that repository. For an evaluation of the long-term performance of the repository, one of the events that may need to be considered is the SNF achieving a critical configuration during the postclosure period. Of particular interest is the potential behavior of SNF in dual-purpose canisters (DPCs), which are currently licensed and being used to store and transport SNF but were not designed for permanent geologic disposal. A study has been initiated to examine the potential consequences, with respect to long-term repository performance, of criticality events that might occur during the postclosure period in a hypothetical repository containing DPCs. The first phase (a scoping phase) consisted of developing an approach to creating the modeling tools and techniques that may eventually be needed to either include or exclude criticality from a performance assessment (PA) as appropriate; this scoping phase is documented in Price et al. (2019a). In the second phase, that modeling approach was implemented and future work was identified, as documented in Price et al. (2019b). This report gives the results of a repository-scale PA examining the potential consequences of postclosure criticality, as well as the information, modeling tools, and techniques needed to incorporate the effects of postclosure criticality in the PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Birefringent Glass‐Engraved Quasi‐Linear Nanograting Metasurface Based on Self‐Organizing Process for Large Aperture High Power Laser Applications

All-glass metasurface “nanograting” structures that exhibit birefringence in the formed layer are reported. The key enabler of this work is ion beam processing at an angle sufficiently off-normal incidence, inducing self-assembly of a deposited metal layer into quasi-linear metallic features that can function as an etching mask. As a result, a fused silica metasurface, monolithic to the underlying substrate, is demonstrated at 375 nm wavelength to exhibit a phase delay angle of 30° between the principal axes. The capability of an angled etch mask replenishment process is also demonstrated for achieving deeper etch depth and for increasing the grating period, another first – to the best of the knowledge. This is the first display of a technology capable of fabricating glass-engraved near-linear grating structure with a feature-to-feature period as small as 118.6 nm. Furthermore, this technology has the potential to generate grating-like structures with periods as small as 12.4 nm, as demonstrated here with reactive ion beam processing assisted mask assembly. Furthermore, these structures are shown to have reflectivity < 0.4% across the wavelength band 350 nm – 1000 nm. Such a technology can enable laser-durable grating structures for the deep-UV and even down to soft X-ray wavelengths.

Ray, Nathan J. [Lawrence Livermore National Labora↗
DOE OSTI2023

Diamonds in the Rough: Direct Surface Enhanced Infrared Spectroscopic Evidence of Nitrogen Reduction on Boron-Doped Diamond Supported Metal Catalysts

In situ investigations of electrocatalytic processes of increasing societal interest such as the nitrogen reduction reaction (NRR) re-quire aggressive experimental conditions that are not readily compatible with surface sensitive techniques such as attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). A method for performing ATR-SEIRAS studies at very negative potentials where conventional IR-active films delaminate, and fail is reported. The method relies on a thin film of very robust boron-doped diamond deposited on a micromachined Si wafer, which provides extended mid-IR transparency at long wavelengths. SEIRAS activity is achieved by electrodepositing gold nanoparticles onto the conductive BDD layer. The Au@BDD layers are shown to sustain prolonged periods of electrolysis at negative potentials with no degradation of the modifying layer. The efficacy of these substrates for electrocatalysis is demonstrated by studying the reduction of N 2 at -1.5 V vs Ag/AgCl in an aqueous-based electrolyte. So under these conditions, direct spectroscopic evidence of both NH 3 and hydrazine formed from the nitrogen reduction reaction (NRR) is provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Clean Energy Technology Applications on US Mine Land: Technical Analysis

As the United States transitions toward a clean energy economy, an opportunity exists for redeveloping the more than 17,000 mine land sites located across the nation with clean energy technologies, which have a combined potential for generating more than 85 GW of clean electricity. This report provides an overview of the potential of demonstrating and deploying clean energy projects on current and former mine land. Clean energy project refers to a project that demonstrates one or more of the following technologies: solar; microgrids; geothermal; direct air capture; fossil-fueled electricity generation with carbon capture, utilization, and sequestration; energy storage, including pumped storage hydropower and compressed air energy storage; and advanced nuclear technologies. The report discusses the following technologies and their potential for creating jobs and generating tax revenue that would result in direct and indirect benefits to the local economy: Solar photovoltaics (PV) is being developed on current and former mine land in various parts of the world, including the United States. This approach is attractive because it requires limited infrastructure investment and would utilize the bare surfaces of mines and tailing ponds. Solar resource availability may be greater in the southern regions, including the Interior and Appalachian Basins and the southwestern United States. However, since some mine land sites include areas of significant change in elevation, the deployment of PV on mine land may require sophisticated planning to account for shading and irradiance, or may require regrading of the areas. PV does not create significant environmental risks and generally does not face public resistance; Geothermal systems are often spatially and genetically associated with ore deposits, and in some cases, they have been discovered while in search for epithermal mineral resources. Numerous diverse geothermal applications have been employed at mine land around the world, including power generation, mineral extraction from geothermal brines, process heating, direct use for other mining operations, and direct use for non-mining operations and subsurface energy storage, including geothermal heat pumps. Case studies highlighting these applications provide key lessons relating to identifying drivers and barriers to geothermal resource deployment and can be used to create screening tools for identifying the types and locations of mine land most amenable to utilizing geothermal resources; Carbon capture, utilization, and sequestration technologies include direct air capture (DAC) and enhanced weathering. DAC technologies include air contactors, regeneration systems, and CO 2 compression systems. Captured CO 2 can be converted to valuable feedstocks or possibly injected into abandoned subsurface mines where it would be absorbed by alkaline rock waste and mine tailings or by the porous minerals along the walls of the mine. DAC systems can be coupled with energy sources such as wind, solar, grid, or geothermal. Many DAC systems require a source of water or steam; however, some are expected to be net producers of water. Local impacts of DAC systems are expected to be low, and are related to land footprint, material disposal, and upstream impacts of energy and material production; Compressed air energy storage is an established energy storage technology in salt caverns. It has the potential for implementation in underground mines by pressurizing and storing a large amount of air using electrical compressors when excess electricity is available. When a need for discharge emerges, the air is used to spin turbines and produce the necessary volume of electricity. Abandoned or unused mine openings, including shafts, adits, access tunnels, and mined workings of any orientation, offer potential for vast amounts of compressed air energy storage if the site characteristics meet operational requirements; Pumped hydropower storage can be implemented in surface and subsurface mines. In surface mine applications, both reservoirs may be located in a mine pit or artificial reservoirs made of excavated materials. In subsurface mines, the lower reservoir may be implemented by waterproofing and flooding mine shafts and tunnels. The water is then pumped from the lower reservoir to the upper reservoir during periods of low load and high production, and it is discharged through the turbines during periods of peak demand. The potential environmental damages associated with acidity of mine water or the presence of toxic chemicals incentivizes the development of closed-loop technologies, in which water circulates inside the pumped hydropower facility without being discharged into the external water basins; Advanced nuclear energy technologies include small modular reactors, which can be deployed locally to produce electricity and heat. Such units require seismic stability and a supply of cooling water, but population constraints may exist in some areas. Therefore, remote mine land could represent an optimal location for siting advanced nuclear energy technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Repository of HydroSMADE: Hydropower Site-level Monthly Availability Data Ensemble for 1950-2100 at Existing and Potential Global Sites

This repository presents HydroSMADE—Hydropower Site-level Monthly Availability Data Ensemble, a new open dataset that provides monthly hydropower availability for 1,593 existing and 124,333 potential sites worldwide over the period 1950–2100. The dataset is generated by using a global hydrologic model (Xanthos) with explicit representation of hydropower operation. Specifically, HydroSMADE distinguishes between storage and diversion sites, applies optimized operating rules, and incorporates site-specific characteristics such as generation capacity, maximum turbine flow, and reservoir storage. Driven by bias-corrected meteorological inputs, the data is provided for 30 alternative future scenarios. The scenarios consist of the full factorial combination of three standard CMIP6 atmospheric forcing pathways (SSP1-2.6, SSP3-7.0, and SSP5-8.5) and ten CMIP6 General Circulation Models (GCMs): GFDL-ESM4, IPSL-CM6A-LR, MPI-ESM1-2-HR, MRI-ESM2-0, EC-Earth3, CanESM5, MIROC6, CNRM-ESM2-1, UKESM1-0-LL, and CNRM-CM6-1. The repository contains a total of 122 files: a text file (readme.txt) containing a brief description of the included data, a CSV file containing site attributes, and the remaining 120 files (in CSV) containing site-level monthly hydropower availability. Example Jupyter Notebooks to explore the HydroSMADE dataset are available on GitHub at https://github.com/kamal0013/HydroSMADE More details on the methods and technical validation of HydroSMADE are available in the following paper by the same authors: Chowdhury, A. K., Abeshu, G. W., Zhao, M., Wild, T. B., Hassan, N., Ying, Z., Kim, G. J., Matthew, B., Jonathan, L., & Li, H.-Y. (Submitted). Hydropower Site-level Monthly Availability Data Ensemble for 1950-2100 at Existing and Potential Global Sites.

Existing and Potential Sites↗
DOE OSTI2022

Unified ab initio description of Fröhlich electron-phonon interactions in two-dimensional and three-dimensional materials

Ab initio calculations of electron-phonon interactions including the polar Fröhlich coupling have advanced considerably in recent years. The Fröhlich electron-phonon matrix element is by now well understood in the case of bulk three-dimensional (3D) materials. In the case of two-dimensional (2D) materials, the standard procedure to include Fröhlich coupling is to employ Coulomb truncation, so as to eliminate artificial interactions between periodic images of the 2D layer. While these techniques are well established, the transition of the Fröhlich coupling from three to two dimensions has not been investigated. Furthermore, it remains unclear what error one makes when describing 2D systems using the standard bulk formalism in a periodic supercell geometry. In this work, we generalize previous work on the ab initio Fröhlich electron-phonon matrix element in bulk materials by investigating the electrostatic potential of atomic dipoles in a periodic supercell consisting of a 2D material and a continuum dielectric slab. We obtain a unified expression for the matrix element, which reduces to the existing formulas for three-dimensional and 2D systems when the interlayer separation tends to zero or infinity, respectively. This expression enables an accurate description of the Fröhlich matrix element in 2D systems without resorting to Coulomb truncation. We validate our approach by direct ab initio density-functional perturbation theory calculations for monolayer BN and MoS 2 , and we provide a simple expression for the 2D Fröhlich matrix element that can be used in model Hamiltonian approaches. The formalism outlined in this work may find applications in calculations of polarons, quasiparticle renormalization, transport coefficients, and superconductivity, in 2D and quasi-2D materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗