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At least 199 records · Page 11

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DOE OSTI2025

Stabilization of high-performance rock-salt LiMnSbTe3 thermoelectrics with embedded van der Waals-like gaps

Rock-salt-structured compounds like lead chalcogenides are promising thermoelectrics, as their high symmetry, strong anharmonicity, and favorable phase behavior collectively lead to high performance by enabling large power factors and ultralow thermal conductivity. Here, we report LiMnSbTe 3 , a new rock-salt semiconductor stabilized through targeted chemical design by combining hexagonal MnTe with cubic LiSbTe 2 . Embedded in the highsymmetry matrix, van der Waals-like gaps form due to Sb 2 Te 3 nanoscale segregation, which acts as effective phonon-scattering centers, leading to a low lattice thermal conductivity of 0.37Wm- 1 K -1 at 873 K with alloy scattering from disordered cations. The ordered local structure of Sb2Te 3 -type vdW-like gaps and the cross-gap interaction facilitate the carrier transport. Aided by energyconverged valence bands and a paramagnon drag effect, high Seebeck coefficients and enhanced power factor can be achieved, leading to a high ZT of 1.2 at 873 K. Furthermore, introducing Mn deficiency increases ZT to 1.5, highlighting the potential for higher performance through optimized doping or alloying. A segmented single-leg thermoelectric module achieves an output power density of 0.52 Wcm -2 and an efficiency of 8.7% under ΔT of 478 K, further demonstrating its promising thermoelectric applications.

42 ENGINEERING↗

DOE OSTI2024

Controlling the orbital Hall effect in gapped bilayer graphene in the terahertz regime

We study the orbital Hall effect (OHE) in the AC regime using bilayer graphene (BLG) as a prototypical material platform. While the unbiased BLG has gapless electronic spectra, applying a perpendicular electric field creates an energy band gap that can be continuously tuned from zero to high values. By exploiting this flexibility, we demonstrate the ability to control the behavior of AC orbital Hall conductivity. Particularly, we demonstrate that the orbital Hall conductivity at the neutrality point changes its signal at a critical frequency, the value of which is proportional to the perpendicular electric field. For BLG with narrow band gaps, the active frequency region for the AC OHE may extend to a few terahertz, which is experimentally accessible with current technologies. We also consider the introduction of a perpendicular magnetic field in the weak-coupling regime using first-order perturbation theory to illustrate how the breaking of time-reversal symmetry enables the emergence of the AC charge Hall effect in the charge-doped situation and modifies the AC orbital Hall conductivity. Our calculations suggest that BLG with narrow band gaps is a practical candidate for investigating time-dependent orbital angular momentum transport. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

DOE OSTI2024

Utility-Scale Shared Energy Storage Deployment: Challenges, Research Gaps, and Opportunities

Although community energy storage (CES) and behind-the-meter (BTM) energy storage systems have been widely used to offer homeowners and communities a variety of localized benefits, their scalability and grid support functionalities are limited. On the other hand, utility-scale shared energy storage (USES) systems may offer a number of benefits for grid integration, scalability, and economic viability. When compared to BTM and CES alternatives, these large-scale systems provide more storage capacity, more efficient operations, and more economically viable options. The deployment of USES presents opportunities for optimizing grid performance, integrating renewable energy resources, and improving energy security at the community level. However, significant research gaps exist in optimizing the integration and operation of these systems, especially to allocate energy for consumer use, grid services, and enhancing energy resilience. This paper reviews the literature in this regard, focusing on the opportunities, research gaps, and challenges associated with USES deployment. Firstly, the paper provides an overview of USES systems and emphasizes their benefits. Secondly, the key challenges are identified, and research gaps associated with the operation and integration of these systems are highlighted. Lastly, some potential solutions and opportunities that can be adopted to facilitate the rapid deployment and management of USES are presented. Technological, economic, regulatory, and environmental aspects are also discussed in this paper, providing an overview of the current state and future prospects of this technology.

Gautam, Mukesh [BATTELLE (PACIFIC NW LAB)] (ORCID:↗

DOE OSTI2025

Gap-filled methane and carbon dioxide fluxes across two ecosystem states at the US-OWC AmeriFlux site (2015−2016, 2020−2022)

This dataset contains gap-filled measurements of methane flux (FCH4), net ecosystem CO2 exchange (NEE) partitioned into gross primary productivity (GPP) and ecosystem respiration (RE), as well as latent heat flux (LE) from a Great Lakes coastal freshwater wetland at the US-OWC AmeriFlux site. The dataset covers the peak growing seasons (June−September) of 2015−2016, dominated by Typha spp., and 2020−2022, characterized by floating-leaved species (lotus and water lily). These data were generated to investigate how rising water levels and vegetation shifts influence CH4 and CO2 fluxes across two distinct ecosystem states in this wetland. The dataset, provided in CSV format, includes half-hourly gap-filled flux data from June to September for 2015, 2016, 2020, 2021, and 2022. The gap-filled data refers to measurements where missing values due to instrument issues or quality control were filled using artificial neural networks (ANNs).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Hourly gap-filled meteorological data from PIE LTER measurements (2004-2023) used as drivers to run ELM PFLOTRAN simulations

This dataset contains continuous gap-filled precipitation, solar radiation, photosynthetically active radiation (PAR), air temperature, relative humidity, wind speed, and barometric pressure data recorded primarily at the Marshview Farm weather station within the Plum Island Long Term Ecosystems Research (PIE LTER) in Newbury Massachusetts (MA) from 2004 to 2023. We compiled the data set from published annual data packages in 15min resolution available on DataOne. Gaps were filled using different statistical techniques or available observations from the vicinity, e.g. the US-PLo and the US-PHM Ameriflux sites, also located within the PIE LTER. Flags are included in this dataset to indicate the origin of each data point. Metadata files ELMPFLOTRAN_met_dd.csv and ELMPFLOTRAN_met_flmd.csv contain more information on site locations, gap filling protocols, data variables, flags, and QA/QC methods. The data set was used in the spin up and simulations of a land surface model coupled to a biogeochemical reaction network (ELM PFLOTRAN) assessing impacts of hydrology and salinity input on methane fluxes in 2022 and 2023 (Sulman et al., 2024).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Controlling the orbital Hall effect in gapped bilayer graphene in the terahertz regime

36 MATERIALS SCIENCE↗

DOE OSTI2024

Offshore Geologic Carbon Storage Data Collection and Data Gaps Analysis

This is a TRS documenting the Offshore Geologic Carbon Storage Data Collection. It describes the Data Collection web application and its creation as well as an accompanying Data Gaps Assessment. We present an interactive data collection and data gaps analysis to aggregate, understand, and disseminate the data that are publicly available to support offshore GCS in the United States. This data collection and data gaps analysis can be leveraged by stakeholders to understand where GCS may be viable offshore, create GCS project analogs, and address challenges to GCS in offshore environments.

58 GEOSCIENCES↗

DOE OSTI2024

NSTX-U – A national User Facility to close the key fusion gaps

This presentation lays out how the NSTX-U Research Program will help close the science and technology gaps for moving towards a Fusion Pilot Plant (FPP) and how this work is aligned with the Bold Decadal Vision. The science gap focuses on determining whether the good confinement trends in Spherical Tokamaks extends to lower collisionalities that are comparable to those expected in FPPs. The technology gap is one of mitigating the power exhaust in FPPs, and NSTX-U is uniquely positioned to test Liquid Metal components in the highest heat flux environment of any existing tokamak, spherical or otherwise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

PFAS Removal by Ion Exchange Resins: Background and Knowledge Gaps with Respect to the Hanford Site

Per- and polyfluoroalkyl substances (PFAS) have been a rising concern for the past two decades, with the United States Department of Defense and Environmental Protection Agency investing millions of dollars in research into remediation and clean-up technologies. Due to the environmental persistence, toxicity, biological uptake, and ongoing changes in both federal and state regulatory space, understanding the fate and transport of PFAS compounds has been of growing concern to the US Department of Energy (DOE). The DOE’s Hanford Site is investigating historical use of PFAS and will be doing site characterization for PFAS. Thus, PFAS have not yet been identified as a contaminant concern in regulatory documents. Based on historical records that mention the discharge of aqueous film-forming foam containing PFAS and having on-site fire stations (a risk factor for PFAS contamination), it seems likely that environmental releases of PFAS may have occurred. Pump and treat (P&T) remediation is the selected remedy for multiple groundwater contaminant plumes at Hanford. These P&T systems use ion exchange (IX) as a component of aboveground treatment, with the specific resins depending on the target contaminants. There is potential that these IX resins may be able to remove PFAS from groundwater, but investigation is needed to understand affinity/selectivity and removal capacity given the groundwater composition and the operating conditions. This report provides background on PFAS uses and chemistry, then provides a review of IX resin applications for PFAS, identifying knowledge gaps. Recommendations are provided regarding research needed to address knowledge gaps and acquire information needed to propose IX as a future PFAS remediation technology at the Hanford Site, as well as other U.S. Department of Energy sites. Generally, PFAS compounds are fluorinated substances that contain at least one fully fluorinated methyl or methylene carbon – with a few noted exceptions, any chemical with at least a perfluorinated methyl group (–CF3) or a perfluorinated methylene group (–CF2–) is a PFAS. These chemical compounds are characterized as non-biodegradable, non-reactive, non-photolytic, and hydrolysis resistant. This makes them highly recalcitrant within the environment, however polyfluoroalkyl materials are less recalcitrant as the carbon chains contain C–H bonds which are more easily broken than carbon – fluorine (C–F) bonds. The backbone carbon structures are commonly punctuated with a head group, the most well-known of them are perfluorooctanesulfonic acid and perfluorooctanoic acid, which possess a sulfonate and a carboxylate group, respectively. IX resins are marketed for the removal of PFAS from water systems and industrial water, however, the mechanism of removal is not as well understood as for anion or cation removal. A better understanding of the mechanism of removal would enable the development of IX resins that have improved specificity for PFAS removal. Four knowledge gaps were identified: 1) the effect of dissolved ions on the IX resin PFAS removal effectiveness, 2) the effect of additional primary contaminants of concern (PCOCs) or secondary contaminants of concern (SCOCs) on the effectiveness of PFAS via IX resin, 3) the mechanisms of PFAS removal from water, and 4) practical solutions to IX resin regeneration and waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1974

Data correlation and analysis of arc tunnel and wind tunnel tests of RSI joints and gaps. Volume 2: Data base

Wind tunnel tests were conducted to determine the aerodynamic heating created by gaps in the reusable surface insulation (RSI) thermal protection system (TPS) for the space shuttle. The effects of various parameters of the RSI on convective heating characteristics are described. The wind tunnel tests provided a data base for accurate assessment of gap heating. Analysis and correlation of the data provide methods for predicting heating in the RSI gaps on the space shuttle.

Christensen, H. E.↗

NASA NTRS1974

Measurement of capsule heat transfer gaps using neutron radiography

A technique is described for measuring heat transfer gaps from neutron radiographs. The method involves scanning the radiograph negative with a recording microdensitometer to obtain a trace of the optical density variation across the diameter of the capsule. The optical density change representing the gap is measured from the microdensitometer trace and related to the physical measurement. Heat transfer gaps from 0.061 to 0.178 cm have been determined by this technique and agree with preassembly physical measurements to plus or minus 0.005 cm.

Thaler, L. A.↗

NASA NTRS1974

Effects of wing/elevon gap sealing flapper doors on orbiter elevon effectiveness of model 16-0 in the NAAL 7.75 by 11 foot continuous flow wind tunnel (OA119A)

Space shuttle orbiter elevon effectiveness was measured with the 6 inch elevon/elevon and elevon/fuselage gaps and various configurations of wing/elevon upper hingeline gap sealing flapper doors. The elevon configuration parametric variations consisted of sealing the lower hingeline to prevent flow-through and testing a long chord flapper door, a short chord flapper door, no flapper door (elevon/wing gap upper hingeline completely open), and a completely sealed elevon at elevon deflections from +20 deg to -40 deg. Preliminary data analysis indicates loss of elevon effectiveness at deflections more negative than -20 deg, and little or no effect of flapper door configuration on elevon effectiveness. Flow visualization photographs taken at alpha = 15 deg for two flapper door configurations substantiated the force data results. Aerodynamic force and moment data were measured in the body axis by a 2.5 inch task type internal strain gage balance. The model was sting supported through the base region with a nominal angle of attack range of -10 deg less than or equal to alpha less than or equal to 24 deg at a model angle of sideslip of Beta equal to 0 deg.

Mennell, R.↗

NASA NTRS1975

A theoretical study of heterojunction and graded band gap type solar cells

Heterojunction and graded band gap type solar cells are theoretically investigated. A computer program is developed to account for energy band gap variations and the resulting built-in electric fields which result from heterojunctions and graded energy band gaps. This program is used in studying solar cell operation under various optical irradiation conditions. Results are summarized.

Hauser, J. R.↗

NASA NTRS1975

High efficiency graded band-gap Al/x/Ga/1-x/As-GaAs p-on-n solar cell

A theoretical analysis of p-on-n (p/n) graded band-gap Al/x/Ga/1-x/As-GaAs solar cells including all practical energy loss mechanisms predicts air mass zero efficiencies of 17.3%. The energy losses include those due to spectral reflection, surface, bulk and junction recombination currents, and series resistance. The device consists of a layer of p-type Al/x/Ga/1-x/As 3.5-micron thick on top of an n-type GaAs substrate. The graded band-gap is achieved by decreasing x from 0.35 at the surface to zero at the junction. The same structure without the graded Al concentration, no longer an optimum device, has an efficiency of 10.4%. The primary function of the graded band-gap material is the reduction of surface and bulk recombination losses in the surface layer by a built-in electric field. A comparison of the p/n structure with an optimized n/p structure indicates that the latter has a slightly higher efficiency (17.7%) for assumed minority carrier diffusion lengths and surface recombination velocity.

Hutchby, J. A.↗

NASA NTRS1975

On the alleged collisional origin of the Kirkwood Gaps

This paper examines two proposed mechanisms whereby asteroidal collisions and close approaches may have given rise to the Kirkwood Gaps. The first hypothesis is that asteroids in near-resonant orbits have markedly increased collision probabilities and so are preferentially destroyed, or suffer decay in population density, within the resonance zones. A simple order-of-magnitude analysis shows that this hypothesis is untenable since it leads to conclusions which are either unrealistic or not in accord with present understanding of asteroidal physics. The second hypothesis is the Brouwer-Jefferys theory that collisions would smooth an asteroidal distribution function, as a function of Jacobi constant, thus forming resonance gaps. This hypothesis is examined by direct numerical integration of 50 asteroid orbits near the 2:1 resonance, with collisions simulated by random variables. No tendency to form a gap was observed.

Heppenheimer, T. A.↗

NASA NTRS1976

Theoretical optimization and parametric study of n-on-p Al/x/Ga/1-x/As-GaAs graded band-gap solar cell

A comprehensive theoretical model of the graded band-gap Al(x)Ga(1-x)As-GaAs solar cell is used to optimize the n-on-p cell. The model includes power losses due to surface, bulk, and junction minority-carrier recombination, series resistance, and photon reflection from an SiO antireflection coating of optimum thickness. The optimized cell has a junction depth/graded band-gap layer thickness of 1.0 micron, respective donor and acceptor concentrations of 4 x 10 to the 17th power and 2 x 10 to the 17th power per cu cm, and a surface AlAs mode fraction of x = 0.35. The optimized graded band-gap cell has an air-mass-zero efficiency of 17.7% (not corrected for a 13% front surface contact area) and is shown to be less sensitive than a similar n-on-p GaAs cell to material degradation in the form of decreased minority-carrier diffusion lengths and increased surface-recombination velocity

Hutchby, J. A.↗

NASA NTRS1976

Design of air-gapped magnetic-core inductors for superimposed direct and alternating currents

Using data on standard magnetic-material properties and standard core sizes for air-gap-type cores, an algorithm designed for a computer solution is developed which optimally determines the air-gap length and locates the quiescent point on the normal magnetization curve so as to yield an inductor design with the minimum number of turns for a given ac voltage and frequency and with a given dc bias current superimposed in the same winding. Magnetic-material data used in the design are the normal magnetization curve and a family of incremental permeability curves. A second procedure, which requires a simpler set of calculations, starts from an assigned quiescent point on the normal magnetization curve and first screens candidate core sizes for suitability, then determines the required turns and air-gap length.

Ohri, A. K.↗

NASA NTRS1980

Aerodynamic heating for gaps in laminar and transitional boundary layers

The presence of gaps, slots, and/or steps in a surface may significantly perturb a supersonic boundary layer. The paper discusses heat-transfer distributions for a variety of gap configurations which were obtained by placing instrumented inserts in a flat-plate structural carrier. The data were obtained in a 3.50 foot hypersonic wind tunnel at a freestream Mach number of 5.10 over a range of Reynolds number from 2,570,000 to 8,110,000. The variables of the test program included the freestream Reynolds number and the gap configuration, e.g., width, depth, step height, number, and orientation.

Bertin, J. J.↗