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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Enabling Ultrathin III-V Solar Cells Using Dual Photonic Crystals

III-V materials provide the highest efficiencies, but the higher cost of these materials compared to other alternatives such as silicon has limited their applications. One way of reducing the costs is by minimizing the amount of material needed. In this work, using optical simulations we test light trapping layers in the front and in the back of a GaAs single junction solar cell. By using these layers, we predict that we can obtain near optically thick GaAs single junctions with only 300 nm active material, with maximum calculated J sc of 28.7 mA/cm 2 under the radiative limit.

14 SOLAR ENERGY↗
DOE OSTI2021

NMR spectroscopy of coin cell batteries with metal casings

Battery cells with metal casings are commonly considered incompatible with nuclear magnetic resonance (NMR) spectroscopy because the oscillating radio-frequency magnetic fields (“rf fields”) responsible for excitation and detection of NMR active nuclei do not penetrate metals. Here, we show that rf fields can still efficiently penetrate nonmetallic layers of coin cells with metal casings provided “B 1 damming” configurations are avoided. With this understanding, we demonstrate noninvasive high-field in situ 7 Li and 19 F NMR of coin cells with metal casings using a traditional external NMR coil. This includes the first NMR measurements of an unmodified commercial off-the-shelf rechargeable battery in operando, from which we detect, resolve, and separate 7 Li NMR signals from elemental Li, anodic β-LiAl, and cathodic Li x MnO 2 compounds. Real-time changes of β-LiAl lithium diffusion rates and variable β-LiAl 7 Li NMR Knight shifts are observed and tied to electrochemically driven changes of the β-LiAl defect structure.

25 ENERGY STORAGE↗
DOE OSTI2025

WHYMSIE-SGP Field Campaign Report

Through a partnership between the U.S. National Aeronautics and Space Administration (NASA) and the National Oceanic and Atmospheric Administration (NOAA), this field campaign demonstrated first-of-its-kind hyperspectral microwave airborne measurements (Conical Scanning Millimeter-wave Imaging Radiometer [CoSMIR-H]). It was complemented by other passive (infrared, visible) and active (lidar) sensors onboard the NASA ER-2 aircraft. Serving as a future NASA planetary boundary-layer (PBL) mission prototype, the Westcoast and Heartland Hyperspectral Microwave Intensive Experiment (WH 2 yMSIE, formerly WHyMSIE) aimed to capture a wide variety of thermodynamic, moisture, and PBL regimes across a variety of surface types. The intensive operating period of the campaign spanned from October 22, 2024, through November 15, 2024, and included a large network of collaborators.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Assessment of Variability of the TEC in the Equatorial Anomaly Region with a Focus over Africa Using Rz and F10.7 as Input Drivers

This paper mainly intends to address the assessment of altitudinal variability of the vertical total electron content (VTEC) extracted from the Global Positioning System (GPS), the new versions of the International Reference Ionosphere Extended to the Plasmasphere (IRI-Plas 2017), and a quick-run ionospheric electron density (NeQuick 2) model in the equatorial anomaly region with a focus over Africa. This is manipulated employing the daily sunspot number (Rz) and 10.7 cm solar radio flux (F10.7) indices as the driver for the models during 2013–2016. The results show that the GPS-derived VTEC values are generally smaller than the modeled VTEC (IRI-Plas 2017 and NeQuick 2 VTEC) values, especially while utilizing the models with the Rz index. The modeled VTEC values are closer to the GPS VTEC values while using the models with the F10.7 index than Rz. The VTEC values obtained while using both models with the F10.7 index tend to increase while traversing from the high to the low solar activity years (especially in the March equinox and December solstice). The top-side ionospheric and plasmaspheric layers contribute the highest and lowest values to the total VTEC. Hence, the signal propagation through the ionosphere is largely affected when the signal crosses the top-side layer. Unlike other layers, due to the limited impact of the EUV on the ionization of neutral particles in the plasmasphere, the VTEC in the plasmaspheric layer (ECpl) shows smooth pattern with similar hourly values. Moreover, the IRI-Plas 2017 model does not effectively respond to the geomagnetic storm time variability of the VTEC with altitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Improving Process Level Understanding of Boundary Layer Winds over the Northeast U.S. Shelf: The Third Wind Forecast Improvement Project (WFIP3)

The third Wind Forecast Improvement Project (WFIP3), a U.S. Department of Energy and National Oceanic and Atmospheric Administration sponsored investigation, sought to improve understanding of the physical phenomena in the atmosphere and ocean that dictate the structure and variability of wind and thermodynamic fields within the marine atmospheric boundary layer. WFIP3 focused on mesoscale and submesoscale flows -- including sea breezes, low-level jets, low-level clouds, and coastal storms -- and the ability of advanced numerical model parameterizations to represent them within fully coupled oceanic and atmospheric modeling systems and foundational weather forecast models. WFIP3 conducted a comprehensive 18-month observational study over the Northeast U.S. outer continental shelf, a high-use coastal zone, using a 3D multiscale sensor array to highly resolve the temporal, vertical, and horizontal structure of the coupled atmospheric and oceanic boundary layers. Multiple land-based study sites adjacent to the coastal ocean observed surface meteorology and vertical profiles of atmospheric properties via passive infrared and microwave radiometers, active lidars and radars, and radiosondes. At sea, an array of surface flux buoys and two vertical profiling lidar buoys observed both atmospheric and oceanic properties, augmented by land-based oceanographic radar systems and routine ship-based surveys. Intensive observations of the marine atmospheric boundary layer over the ocean was done from an air-sea interaction flux tower and extended deployments of a large autonomous barge platform. Numerous critical forecasting phenomena were observed that are being evaluated within regional coupled and uncoupled modeling systems, including the National Oceanic and Atmospheric Administration's foundational High-Resolution Rapid Refresh forecast model.

Kirincich, Anthony↗
DOE OSTI2025

Copper-containing layered oxide cathodes for sodium-ion batteries

Layered transition metal oxides are among the most promising cathode materials for sodium-ion batteries due to their high theoretical capacity, structural tunability, and cost-effectiveness. However, conventional Ni- and Co-based layered oxides are hindered by high raw material costs, limited elemental abundance, and phase instability during electrochemical cycling. Recently, copper has emerged as an attractive alternative transition metal, offering significant advantages in terms of redox activity, structural stabilization, voltage regulation, and rate performance. Unlike Ni and Co, Cu can facilitate unique redox mechanisms and enable more sustainable material design. This review systematically summarizes recent progress on Cu-containing layered sodium oxides, with emphasis on their structural characteristics, electrochemical behavior, and the critical roles that Cu plays within the host lattice. The insights provided herein aim to highlight the potential of Cu-substituted or Cu-containing layered oxides as a viable pathway toward high-performance and resource-accessible SIB cathodes for future energy storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nonsacrificial Additive for Tuning the Cathode–Electrolyte Interphase of Lithium-Ion Batteries

Solid–electrolyte interphases is essential for stable cycling of rechargeable batteries. The traditional approach for interphase design follows the decomposition of additives prior to the host electrolyte, which, as governed by the thermodynamic rule, however, inherently limits the viable additives. Here we report an alternative approach of using a nonsacrificial additive. This is exemplified by the localized high-concentration electrolytes, where the fluoroethylene carbonate (FEC) plays a nonsacrificial role for modifying the chemistry, structure, and formation mechanism of the cathode–electrolyte interphase (CEI) layers toward enhanced cycling stability. On the basis of ab initio molecular dynamics simulations, we further reveal that the unexpected activation of the otherwise inert species in the interphase formation is due to the FEC–Li + coordinated environment that altered the electronic states of reactants. In conclusion, the nonsacrificial additive on CEI formation opens up alternative avenues for the interphase design through the use of the commonly overlooked, anodically stable compounds.

25 ENERGY STORAGE↗
DOE OSTI2025

Advancing Aerosol Chemical Characterization and Vertical Profiling over the Southern Great Plains Using Uncrewed Aerial Sampling and Offline Aerosol Mass Spectrometry

Recent advancements in uncrewed aerial systems (UASs) and particulate matter (PM) analytical techniques have provided opportunities for atmospheric research. In this study, we deployed the Department of Energy’s fixed-wing ArcticShark UAS to examine PM 2.5 composition at varying altitudes─within and above the planetary boundary layer (PBL)─over the Southern Great Plains atmospheric observatory (SGP). A total of 22 flights were conducted across March, June, and August 2023. Composite filter samples were collected during each flight and analyzed with offline aerosol mass spectrometry (AMS), complemented by on-board real-time sensors and ground-based instrumentation, to provide a comprehensive view of regional aerosol characteristics. Results show clear vertical and seasonal differences in the aerosol composition. Relative to ground-level measurements, aloft samples exhibited shifts in the distribution of organic and inorganic PM, with the organic composition varying distinctly across seasons. Particulate organic nitrogen (ON) was elevated, with bulk compositions similar in March and June but strongly altered in August, likely driven by biomass burning and enhanced photochemical activity. Combined AMS and chemical ionization mass spectrometry analyses detected amines, amides, and amino acids. PM above the planetary boundary layer was enriched in oxidized organic aerosols, while ground-level PM contained higher nitrate and sulfate. Seasonal differences in aqueous-phase processing were also observed, which were strongest in March during persistent cloud cover and weaker in the drier August period, suggesting a shift from aqueous- to gas-phase SOA formation. In conclusion, these findings highlight the value of UAS in advancing PM measurements and vertical profiling of aerosol composition.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Smectite phase separation is driven by hydration-mediated interfacial charge

Smectite clay minerals have an outsize impact on the response of clay-rich media to common stimuli, such as hydration and ion exchange, motivating extensive effort to understand behaviors resulting from these processes such as swelling and exfoliation. Smectites are common and historic systems for investigating colloidal and interfacial phenomena, with two swelling regimes commonly identified across myriad clays: osmotic swelling at high water activity and crystalline swelling at low water activity. However, no current swelling model seamlessly spans the full ranges of water, salt and clay content encountered in natural or engineered settings. Here, we show that structures previously rationalized as either osmotic or crystalline coexist as a rich array of distinct colloidal phases that differ by water content, layer stacking thickness, and curvature. We present an analytical model for intermolecular potentials among water, salt and clay in both mono- and divalent electrolytes that predicts swelling pressures across high and low water activities. Our results indicate that all clay swelling is osmotic swelling, but that the osmotic pressure of charged mineral interfaces becomes attractive and dominates that of the electrolyte at high clay activities. Global energy minima are often not reached on experimental timescales due to many local energy minima that promote long-lived intermediate states with vast differences in clay, ion, and water mobilities, leading to hyperdiffusive layer dynamics driven by variable hydration-mediated interfacial charge.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Fusion Energy Research at Idaho National Laboratory: Experimentation and Simulation to Support Safety and Rapid Technology Development

Research into fusion energy is growing rapidly, responding to a call for sustainable sources of energy to replace fossil fuels and mitigate climate change. Within the United States, at least, researchers are also responding to the “Bold Decadal Vision” proposed by the White House, seeking to have a commercially relevant fusion pilot plant deployed within a decade. Before this can become a reality, many Fusion Science & Technology (FS&T) gaps remain. For over 45 years, Idaho National Laboratory has been at the forefront of addressing these FS&T gaps in the context of fusion safety and technology via the operation of world-leading experimental facilities within the Safety and Tritium Applied Research (STAR) Facility. Here, INL focuses on the tritium fuel cycle, conceptual system design studies, risk assessment, waste management, and materials safety. Modeling and Simulation (M&S) has also been a component of this portfolio of research, but, early on, focused on individual systems. Since 2019, active development and research on integrated whole device modeling tools based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework has been undertaken. This has culminated in a MOOSE-based version of the Tritium Migration and Analysis Program (TMAP), an INL code historically focused on tritium permeation and trapping within fusion systems. More recently, INL Laboratory Directed Research and Development funds have been used to create the Fusion ENergy Integrated multiphys-X (FENIX) code focused on scrape-off layer plasma physics and the first wall of a magnetically confined fusion device. This talk will focus on an overview of INL activities in the FS&T research area, with a particular focus on recent M&S activities and results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Multi-layer anodes for high-current applications

In this work, we present a combination of experiments and modeling of a two-layer anode structure designed by EnPower Inc. for high-energy and fast-charge capabilities. The anode consists of lower porosity near the current collector and higher porosity near the separator with comparable active materials in both regions. A pseudo-two-dimensional electrochemical–thermal model was designed to represent the performance of this electrode. Simulations, consistent with experiments, show superior ion transport and lithiation in the multi-layer anode (MLA) compared to a conventional single-layer anode (SLA). Surprisingly, this improved transport in MLA manifests as enhanced cathode performance during high-rate discharge and this, in turn, provides higher energy density for MLA. Similarly, during fast charge, less irreversible lithium is deposited due to this improved transport in MLA, and hence MLA exhibits less capacity fade compared to SLA. Polarization analysis demonstrates marginally lower cumulative overpotential for MLA in different case studies; however, MLA cells maintain a significantly higher capacity in the same conditions and have more than double the cycle life. Further, this means despite the apparently limited polarization benefit provided by MLA; the MLA structure can more reliably be employed in cell designs. Additional design changes are also analyzed by means of the model.

25 ENERGY STORAGE↗
DOE OSTI2023

Iridium Incorporation into MnO 2 for an Enhanced Electrocatalytic Oxygen Evolution Reaction

Here, we have investigated the structure and activity of electrocatalysts for the oxygen evolution reaction (OER) that had low loadings of Ir incorporated into the 2D layered MnO 2 , (birnessite, nominally δ-MnO 2 ) and the 3D MnO 2 (pyrolusite, β-MnO 2 ). The Ir-incorporated β-MnO 2 (Ir/β-MnO 2 ) electrocatalysts were prepared for the first time via a thermally induced phase transition of δ-MnO 2 containing 16-22 wt% Ir. This phase transition of δ-MnO 2 to β-MnO 2 was facilitated by the presence of Ir in the structure, as both Ir in IrO 2 and Mn in β-MnO 2 could adopt a thermodynamically favored rutile structure. Extended X-ray absorption fine structure (EXAFS) of Ir/β-MnO 2 showed that the catalyst consisted of Ir substituted into the crystalline β-MnO 2 lattice. 22 wt% Ir/β-MnO 2 (60 μg Ir cm $\ ^{-2}_{geo}$) exhibited an OER overpotential (η) of 337 mV, lower than the η for commercial IrO 2 . This η was constant for 6 h, at 10 mA cm $\ ^{-2}_{geo}$ in 0.5 M H 2 SO 4 . EXAFS, high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray absorption near edge structure (XANES) showed that 22 wt% Ir/β-MnO 2 had a strained structure containing ~41% Mn 3+ , an OER active species, along with a modified Ir bond covalency consisting of both Ir-O-Ir and Ir-O-Mn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Peak Prediction Using Multi Layer Perceptron (MLP) for Edge Computing ASICs Targeting Scientific Applications

High data rate detectors play an integral part in scientific research and their development is actively pursued at High Energy Physics (HEP) facilities around the world. Edge Machine Learning (ML) offers the ability to reduce data rates by integrating ML algorithms into Application Specific Integrated Circuits (ASICs) on the front end electronics. In this work, we explore a set of neural network architectures for predicting the peak amplitudes in the detector's sensor response. We have designed and synthesized several MLP based neural networks comparing their inference accuracy, power consumption, and area targeting for minimal latency. The neural networks are synthesized in a commercial 65nm process. The effect of quantizing the network's weights and biases on hardware performance and area is reported. We also conduct design space exploration to compare between design alternatives

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Building Electron/Proton Nanohighways for Full Utilization of Water Splitting Catalysts

Low electron/proton conductivities of electrochemical catalysts, especially earth-abundant nonprecious metal catalysts, severely limit their ability to satisfy the triple-phase boundary (TPB) theory, resulting in extremely low catalyst utilization and insufficient efficiency in energy devices. In this study, an innovative electrode design strategy is proposed to build electron/proton transport nanohighways to ensure that the whole electrode meets the TPB, therefore significantly promoting enhance oxygen evolution reactions and catalyst utilizations. It is discovered that easily accessible/tunable mesoporous Au nanolayers (AuNLs) not only increase the electrode conductivity by more than 4000 times but also enable the proton transport through straight mesopores within the Debye length. The catalyst layer design with AuNLs and ultralow catalyst loading (≈0.1 mg cm -2 ) augments reaction sites from 1D to 2D, resulting in an 18-fold improvement in mass activities. Furthermore, using microscale visualization and unique coplanar-electrode electrolyzers, the relationship between the conductivity and the reaction site is revealed, allowing for the discovery of the conductivity-determining and Debye-length-determining regions for water splitting. These findings and strategies provide a novel electrode design (catalyst layer + functional sublayer + ion exchange membrane) with a sufficient electron/proton transport path for high-efficiency electrochemical energy conversion devices.

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

Densely Connected G-invariant Deep Neural Networks with Signed Permutation Representations

We introduce and investigate, for finite groups G, G-invariant deep neural network (GDNN) architectures with ReLU activation that are densely connected- i.e., include all possible skip connections. In contrast to other G-invariant architectures in the literature, the preactivations of theG-DNNs presented here are able to transform by signed permutation representations (signed perm-reps) of G. Moreover, the individual layers of the G-DNNs are not required to be G-equivariant; instead, the preactivations are constrained to be G-equivariant functions of the network input in a way that couples weights across all layers. The result is a richer family of G-invariant architectures never seen previously. We derive an efficient implementation of G-DNNs after a reparameterization of weights, as well as necessary and sufficient conditions for an architecture to be "admissible"- i.e., nondegenerate and inequivalent to smaller architectures. We include code that allows a user to build a G-DNN interactively layer-by-layer, with the final architecture guaranteed to be admissible. We show that there are far more admissible G-DNN architectures than those accessible with the "concatenated ReLU" activation function from the literature. Finally, we apply G-DNNs to two example problems--(1) multiplication in --1, 1} (with theoretical guarantees) and (2) 3D object classification--finding that the inclusion of signed perm-reps significantly boosts predictive performance compared to baselines with only ordinary (i.e., unsigned) perm-reps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides

The oxygen stacking of O3-type layered sodium transition metal oxides (O3-NaTMO 2 ) changes dynamically upon topotactic Na extraction and reinsertion. While the phase transition from octahedral to prismatic Na coordination that occurs at intermediate desodiation by transition metal slab gliding is well understood, the structural evolution at high desodiation, crucial to achieve high reversible capacity, remains mostly uncharted. In this work, the phase transitions of O3-type layered NaTMO 2 at high voltage are investigated by combining experimental and computational approaches. An OP2-type phase that consists of alternating octahedral and prismatic Na layers is directly observed by in situ X-ray diffraction and high-resolution scanning transmission electron microscopy. The origin of this peculiar phase is explained by atomic interactions involving Jahn–Teller active Fe 4+ and distortion tolerant Ti 4+ that stabilize the local Na environment. Finally, the path-dependent desodiation and resodiation pathways are also rationalized in this material through the different kinetics of the prismatic and octahedral layers, presenting a comprehensive picture about the structural stability of the layered materials upon Na intercalation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Three interaction energy scales in the single-layer high-$T_c$ cuprate HgBa 2 CuO 4+δ

The lamellar cuprate superconductors exhibit the highest ambient-pressure superconducting transition temperatures ($T_c$), and after more than three decades of extraordinary research activity, continue to pose formidable scientific challenges. A major experimental obstacle has been to distinguish universal phenomena from materials- or technique-dependent ones. Angle-resolved photoemission spectroscopy (ARPES) measures momentum-dependent single-particle electronic excitations and has been invaluable in the endeavor to determine the anisotropic momentum-space properties of the cuprates. HgBa 2 CuO 4+δ (Hg1201) is a single-CuO 2 -layer cuprate with a particularly high optimal Tc and a simple crystal structure, yet there exists little information from ARPES about the electronic properties of this model system. In this paper we present an ARPES study of doping-, temperature-, and momentum-dependent systematics of near-nodal dispersion anomalies in Hg1201. The data reveal a hierarchy of three distinct energy scales: a subgap low-energy kink, an intermediate-energy kink near 55 meV, and a peak-dip-hump structure. The first two features are attributed to the coupling of electrons to Ba-derived optical phonons and in-plane bond-stretching phonons, respectively. The nodal peak-dip-hump structure appears to have a common doping dependence in several single-layer cuprates and is interpreted as a manifestation of pseudogap physics at the node. These results establish several universal phenomena, both in terms of connecting multiple experimental techniques for a single material and in terms of connecting comparable spectral features in multiple structurally similar cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enhancing the Electrocatalysis of LiNi 0.5 Co 0.2 Mn 0.3 O 2 by Introducing Lithium Deficiency for Oxygen Evolution Reaction

LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523), as a cathode material for rechargeable lithium-ion batteries, has attracted considerable attention and been successfully commercialized for decades. NCM is also a promising electrocatalyst for the oxygen evolution reaction (OER), and the catalytic activity is highly correlated to its structure. In this paper, we successfully obtain NCM523 with three different structures: spinel NCM synthesized at low temperature (LT-NCM), disordered NCM (DO-NCM) with lithium deficiency obtained at high temperature, and layered hexagonal NCM at high temperature (HT-NCM). By introducing lithium deficiency to tune the valence state of transition metals in NCM from Ni 2+ to Ni 3+ , DO-NCM exhibits the best catalytic activity with the lowest onset potential (~1.48 V) and Tafel slope (~85.6 mV dec -1 ), whereas HT-NCM exhibits the worst catalytic activity with the highest onset potential (~1.63 V) and Tafel slope (~241.8 mV dec -1 ).

36 MATERIALS SCIENCE↗