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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Investigation of Sorption and Diffusion Mechanisms, and Preliminary Economic Analysis

This report describes the synthesis and evaluation of molecular sieve zeolite membranes to separate and concentrate tritiated water (HTO) from dilute HTO-bearing aqueous streams. Several monovalent and divalent cation exchanged silico alumino phosphate (SAPO-34) molecular sieve zeolite membranes were synthesized on disk supports and characterized with gas and vapor permeation measurements. The pervaporation process performance was evaluated for the separation and concentration of tritiated water. Experiments were performed using tritiated water feed solution containing tritium at the high end of the range (1 mCi/mL) anticipated in a nuclear fuel processing system that includes both acid and water streams recycling. The tritium concentration was about 0.1 ppm. The permeate was recovered under vacuum. The HTO/H2O selectivity and separation factor calculated from the measured tritium concentrations ranged from 0.99 to 1.23, and 0.83-0.98, respectively. Although the membrane performance for HTO separation was lower than expected, several encouraging observations including molecular sieving and high vapor permeance are reported. Additionally, several new approaches are proposed, such as tuning the sorption and diffusion properties offered by small pore LTA zeolite materials, and cation exchanged aluminosilicates with high metal loading. It is hypothesized that substantially improved preferential transport of tritium (HTO) resulting in a more concentrated permeate can be achieved. Preliminary economic analysis for the membrane-based process to concentrate tritiated water is also discussed.

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

Using a Neural Network Classifier to Select Galaxies with the Most Accurate Photometric Redshifts

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will produce several billion photometric redshifts (photo-z's), enabling cosmological analyses to select a subset of galaxies with the most accurate photo-z. For this work, we perform initial redshift fits on Subaru Strategic Program galaxies with deep grizy photometry using Trees for Photo-Z (TPZ) before applying a custom neural network classifier (NNC) tuned to select galaxies with (z phot – z spec )/(1 + z spec ) < 0.10. We consider four cases of training and test sets ranging from an idealized case to using data augmentation to increase the representation of dim galaxies in the training set. Selections made using the NNC yield significant further improvements in outlier fraction and photo-z scatter (σ z ) over those made with typical photo-z uncertainties. As an example, when selecting the best third of the galaxy sample, the NNC achieves a 35% improvement in outlier rate and a 23% improvement in σ z compared to using uncertainties from TPZ. For cosmology and galaxy evolution studies, this method can be tuned to retain a particular sample size or to achieve a desired photo-z accuracy; our results show that it is possible to retain more than a third of an LSST-like galaxy sample while reducing σ z by a factor of 2 compared to the full sample, with one-fifth as many photo-z outliers. For surveys like LSST that are not limited by shot noise, this method enables a larger number of tomographic redshift bins and hence a significant increase in the total signal to noise of galaxy angular power spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Unified Universal Control and Coordination of Inverter-Based Resources, and Validation for a PV + Battery Hybrid Plant

As renewable energy deployment grows, hybrid power plants (HPPs) combining photovoltaic (PV) and battery systems must evolve to offer both energy and grid stability services. These systems typically include a mix of grid-following (GFL) and grid-forming (GFM) inverters, presenting unique coordination and control challenges. This Department of Energy–funded project developed and validated a Unified Universal Control and Coordination (UUCC) framework for such PV + battery hybrid plants, enabling seamless and stable operation, including ultrafast black start, autonomous synchronization, and robust frequency and voltage regulation, under different grid conditions. The project significantly advanced the understanding of inverter-based resource (IBR) control by developing and validating three complementary system-level approaches for hybrid GFL/GFM operation: 1. A combined Virtual Resistance (VR)-based GFL and Virtual Oscillator Control (VOC)-based GFM method, where each inverter type is governed by a specialized control strategy. Together, these achieve stable, fast-response coordination, eliminating inrush current and enabling smooth black start and grid synchronization across a wide range of grid strengths. 2. A Deadbeat-based UUCC strategy, which uses discrete-time, switching-cycle-level control for both GFL and GFM inverters. This approach replaces traditional PI/PLL control with a control parameter-free, high-bandwidth framework that supports stable LVRT and instantaneous synchronization under all conditions. 3. A benchmark comparison with Siemens’ commercial GFM microgrid controller, which provided a fast baseline platform. The commercial approach decoupled v & f control was implemented on a commercial microgrid controller.The baseline commercial benchmark helped highlight superior transient response and black start performance offered by the deadbeat and VOC approaches. These technical contributions offer substantial improvements over conventional inverter control schemes, which often rely on slow phase-locked loop (PLL)-based synchronization, require careful control parameters tuning, and prone to unstable in weak grids with GFL inverters and in stiff grid with GFM inverters therefore challenging for hybrid GFL+GFM under all grid conditions. The deadbeat-based UUCC framework enables simpler, faster, and more robust operation of hybrid IBR systems using wide-bandgap (WBG) devices such as SiC power semiconductors. The rapid expansion of hybrid distributed energy resources (DERs), including residential and commercial PV-BESS installations such as Tesla Powerwall, PV with vehicle-to-grid (V2G) capability, and other integrated configurations, presents complex operational challenges for medium-voltage radial distribution feeders. These networks are subject to frequent disturbances such as faults, switching operations, rapid reclosing sequences, and feeder reconfigurations, all of which introduce dynamic stress on IBRs. In addition, planned feeder segmentation and deliberate islanding for resilience will require DERs that can autonomously perform blackstart, establish voltage and frequency references, and resynchronize with the main grid. The advanced deadbeat-based UUCC control and blackstart functionalities developed in this project directly address these requirements, enabling decentralized and autonomous operation of inverter-dominated DERs in distribution systems under a wide range of fault and reconfiguration scenarios. From a public benefit perspective, these innovations enable more reliable and cost-effective integration of renewable energy into distribution networks. The ability to autonomously black start and stabilize grids under varying grid conditions support accelerates recovery from outages and support decentralized resilient energy systems. By reducing system complexity and improving performance, this project lays critical groundwork for future inverter-dominated power grids that are clean, reliable, and accessible to all.

14 SOLAR ENERGY↗
DOE OSTI2026

Tuning the Mechanical Properties of Crosslinked Copolymers via Sequence and Solvent‐Selective Swelling for Vat Photopolymerization

Block copolymers (BCPs) offer distinct advantages for vat photopolymerization by enabling mechanically programmable network structures through microphase-separated morphologies that can be kinetically trapped during curing, yielding properties unattainable in homogeneous resins. However, the respective roles of repeat-unit sequence and solvent environment, together with their interplay in directing network formation and mechanical performance, remain unclear. Here, we synthesize a series of CO 2 -based polycarbonate copolymers comprising a crosslinkable glassy poly(vinyl cyclohexene carbonate) (PVCHC, A block) and a non-crosslinkable soft poly(propylene carbonate) (PPC, B block). The polymer sequence is systematically varied (ABA, BAB, and statistical), and solvent choice controls block-selective swelling to jointly control gelation behavior, microphase morphology, and mechanical response through changes in the accessibility and local environment of photocrosslinkable vinyl groups during network formation, as revealed by photorheology and small angle x-ray scattering. By tuning polymer sequence and curing solvent, we transform nominally identical formulations from brittle to highly ductile materials, achieving a three-orders-of-magnitude range in toughness (0.003 to 9.1 MJ m −3 ). These results establish clear structure–processing–property relationships and identify polymer sequence and selective solvation as powerful strategies for programming both printability and performance of block copolymer resins for additive manufacturing.

additive manufacturing↗
DOE OSTI2016

Photocatalytic and photoelectrochemical performance of Ta{sub 3}N{sub 5} microcolumn films fabricated using facile reactive sputtering

This paper presents the photocatalytic and photoelectrochemical (PEC) properties of Ta{sub 3}N{sub 5} microcolumn films. The highlights include (1) overcoming the fundamental barrier of standard reactive sputtering for fabricating microcolumns; (2) preventing unnecessary complexity from complicating facile sputtering; (3) an alternative but effective approach for fabricating Ta{sub 3}N{sub 5} without using caustic NH{sub 3} gases; (4) investigating morphology tuning for favorable photocatalysis and PEC reactions; and (5) elucidating the relationships of the structures, morphologies, and properties of Ta{sub 3}N{sub 5} microcolumns. High-resolution transmission electron microscopy and selective-area electron diffraction verified the polycrystallinity of Ta{sub 3}N{sub 5} microcolumns, of which the elemental compositions and stoichiometry were measured using electron-probe energy dispersive spectroscopy, Auger electron spectroscopy, and X-ray photoelectron spectroscopy. The corresponding band gap was determined to be approximately 2.1 eV. The sample exhibited a superior photodegradation capability; the photodegradation rate constant k was determined to be approximately 1.4 times higher than that of P25 under UV irradiation. A photocatalytic and PEC cycling test indicated the photodegradation reusability and photostability of the Ta{sub 3}N{sub 5} microcolumns. The incident photon-to-current efficiency performance reached 6%, suggesting that these microcolumns hold potential for application in PEC devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Potential for high thermoelectric performance in n-type Zintl compounds: A case study of Ba doped KAlSb 4

High-throughput calculations (first-principles density functional theory and semi-empirical transport models) have the potential to guide the discovery of new thermoelectric materials. Herein we have computationally assessed the potential for thermoelectric performance of 145 complex Zintl pnictides. Of the 145 Zintl compounds assessed, 17% show promising n-type transport properties, compared with only 6% showing promising p-type transport. We predict that n-type Zintl compounds should exhibit high mobility μ n while maintaining the low thermal conductivity κ L typical of Zintl phases. Thus, not only do candidate n-type Zintls outnumber their p-type counterparts, but they may also exhibit improved thermoelectric performance. From the computational search, we have selected n-type KAlSb 4 as a promising thermoelectric material. Synthesis and characterization of polycrystalline KAlSb 4 reveals non-degenerate n-type transport. With Ba substitution, the carrier concentration is tuned between 10 18 and 10 19 e – cm –3 with a maximum Ba solubility of 0.7% on the K site. High temperature transport measurements confirm a high μ n (50 cm 2 V –1 s –1 ) coupled with a near minimum κ L (0.5 W m –1 K –1 ) at 370 °C. Together, these properties yield a zT of 0.7 at 370 °C for the composition K 0.99 Ba 0.01 AlSb 4 . As a result, based on the theoretical predictions and subsequent experimental validation, we find significant motivation for the exploration of n-type thermoelectric performance in other Zintl pnictides.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Research three-dimensional hierarchical graphite architectures for anodes for fast charging

With current lithium ion batteries optimized for performance under relatively low charge rate conditions, implementation of XFC has been hindered by drawbacks including Li plating, kinetic polarization, and heat dissipation. This project will utilize model-informed design of 3-D hierarchical electrodes to tune key XFCrelated variables like 1) bulk porosity/tortuosity 2) vertical pore diameter, spacing, and lattice 3) crystallographic orientation of graphite particles relative to exposed surfaces 4) interfacial chemistry of the graphite surfaces through "artificial sEr' formation using ALD 5) current collector surface roughness (aspect ratio, roughness factor, etc.). A key aspect of implementing novel electrodes is characterizing them in relevant settings. For this project, ultimately led out of University of Michigan by Neil Dasgupta, that includes both coin cell and 2+ Ah pouch cell testing, as well as comparison testing against baselines. Sandia National Labs will be conducting detailed cell characterization on iterative versions/improvements of the model-based hierarchical electrodes, as well as COTS cells for baseline comparisons. Key metrics include performance under fast charge conditions, as well as the absence or degree of lithium plating. Sandia will use their unique high precision cycling and rapid EIS capabilities to accurately characterize performance and any lithium plating during 6C charging and beyond, coupling electrochemical observations with cell teardown. Sandia will also design custom fixturing to cool cells during rapid charge, to decouple any kinetic effects brought about by cell heating and allow comparisons between different cells and charge rates. Using these techniques, Sandia will assess HOH electrodes from the University of Michigan, as well as aiding in iterative model and electrode design.

25 ENERGY STORAGE↗
DOE OSTI2018

Research three-dimensional hierarchical graphite architectures for anodes for fast charging

With current lithium ion batteries optimized for performance under relatively low charge rate conditions, implementation of XFC has been hindered by drawbacks including Li plating, kinetic polarization, and heat dissipation. This project will utilize model-informed design of 3-D hierarchical electrodes to tune key XFC related variables like 1) bulk porosity/tortuosity 2) vertical pore diameter, spacing, and lattice 3) crystallographic orientation of graphite particles relative to exposed surfaces 4) interfacial chemistry of the graphite surfaces through "artificial sEr formation using ALD 5) current collector surface roughness (aspect ratio, roughness factor, etc.). A key aspect of implementing novel electrodes is characterizing them in relevant settings. For this project, ultimately led out of University of Michigan by Neil Dasgupta, that includes both coin cell and 2+ Ah pouch cell testing, as well as comparison testing against baselines. Sandia National Labs will be conducting detailed cell characterization on iterative versions/improvements of the model-based hierarchical electrodes, as well as COTS cells for baseline comparisons. Key metrics include performance under fast charge conditions, as well as the absence or degree of lithium plating. Sandia will use their unique high precision cycling and rapid EIS capabilities to accurately characterize performance and any lithium plating during 6C charging and beyond, coupling electrochemical observations with cell teardown. Sandia will also design custom fixturing to cool cells during rapid charge, to decouple any kinetic effects brought about by cell heating and allow comparisons between different cells and charge rates. Using these techniques, Sandia will assess HOH electrodes from the University of Michigan, as well as aiding in iterative model and electrode design.

25 ENERGY STORAGE↗
DOE OSTI2013

Development Of A Compact Photo-injector With RF-focusing Lens For Short Pulse Electron Source Application

For development of compact ultrafast electron source system, we are currently designing a short-pulse RF-gun with RF focusing structure by means of a series of comprehensive modeling analysis processes. EM design of a 2.5 cell resonant cavity with input coupler, acceleration dynamics of photo-emitted electron bunch, EM design of RF-lens with input coupler, and phasespace analysis of focused electron bunch are systematically examined with multi-physics simulators. All the features of the 2.856 GHz cavity geometry were precisely engineered for acceleration energies ranging from 100 keV to 500 keV (safety limited) to be powered by our 5 MW S-band klystron. The klystron (Thales TH2163) and modulator system (ScandiNova K1 turnkey system) were successfully installed and tested. Performance tests of the klystron system show peak output power > 5 MW, as per operation specifications. At the quasi-relativistic energies, the electron source is capable of generating 100fC -- 1 pC electron bunch with pulse duration close to 30 fs -- 1 ps and transverse size of a few hundred microns. PIC simulations have shown that the electron bunch undergoes fast RF acceleration, rapidly reaching the desired energies, which can be controlled by tuning RF injection phase and input driving power. It has been shown that it is possible to also focus/compress the bunch longitudinally using a RF-lens, which would allow us to control the temporal resolution of the system as well. While our primary analysis has been performed on a 2.5 cell design, we are also looking into half-cell (single cavity) design that is expected to provide the same range of beam energy with a simple configuration.

Grabenhofer, Alexander↗
DOE OSTI2018

Stable Carbon-Selenium Bonds for Enhanced Performance in Tremella -Like 2D Chalcogenide Battery Anode [Stable Carbon-Selenium Bonds for Enhanced Performance in Tremella -Like Two-Dimensional Chalcogenide Battery Anode]

Two-dimensional cobalt selenide based on conversion reaction has attracted much attention due to its open layered structure and high specific capacity. However, effectively suppressing the fast capacity fade caused by the irreversible Se dissolution and serious volume change during the cycling process is still a challenges. Herein, we tune the concentration of dispersion liquid under supercritical condition to induce the CoSe crystal to grow along the graphene oxide (GO), and finally obtain the Tremella -like CoSe-rGO hybrid. The nature of epitaxial growth leads to the formation of stable C–Se bonds, which maintains favorable conductive connection between CoSe and reduced GO (rGO) as well as enhances the mechanical strength of active material to suppress Se dissolution and volume expansion during Na/Li intercalation and deintercalation. The unique microstructural merits of the hybrid result in superior sodium/lithium storage performance (400.8 mAh g -1 at 1 A g -1 after 100 cycles for NIBs and 769.6 mAh g -1 at 2 A g -1 after 500 cycles for LIBs). Moreover, the transmission X-ray microscopy technique is firstly used to directly observe the Se segregation in cobalt selenide and it being suppressed by the C–Se bonds.

25 ENERGY STORAGE↗
DOE OSTI2021

Tuning Epoxy Thermomechanics via Thermal Isomerization: A Route to Negative Coefficient of Thermal Expansion Materials

Fine control over the thermal expansion and contraction behavior of polymer materials is challenging. Most polymers have large coefficients of thermal expansion (CTEs), which preclude long performance lifetimes of composite materials. Herein, we report the design and synthesis of epoxy thermosets with low CTE values below their T g and large contraction behavior above T g by incorporating thermally contractile dibenzocyclooctane (DBCO) motifs within the thermoset network. This atypical thermomechanical behavior was rationalized in terms of a twist-boat to chair conformational equilibrium of the DBCO linkages. We anticipate these findings to be generally useful in the preparation of materials with designed CTE values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. Here, we apply hybrid density functional theory calculations to investigate the thermodynamic stability, lattice parameters, and bandgaps of wurtzite and zincblende quaternary BInGaN alloys. We discover that the wurtzite phase is more stable and can be lattice matched to GaN for BInGaN compositions containing up to ~30% boron. The lattice match with GaN decreases strain and enables thicker active layers that mitigate Auger recombination and increase the efficiency of the LEDs. The bandgap of the alloy remains tunable throughout the visible spectrum. Our results indicate that BInGaN alloys are promising alternatives to InGaN for high-efficiency, high-power LEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Detection of regional infrasound signals using array data: Testing, tuning, and physical interpretation

This work quantifies the physical characteristics of infrasound signal and noise, assesses their temporal variations, and determines the degree to which these effects can be predicted by time-varying atmospheric models to estimate array and network performance. An automated detector that accounts for both correlated and uncorrelated noise is applied to infrasound data from three seismo-acoustic arrays in South Korea (BRDAR, CHNAR, and KSGAR), cooperatively operated by Korea Institute of Geoscience and Mineral Resources (KIGAM) and Southern Methodist University (SMU). Arrays located on an island and near the coast have higher noise power, consistent with both higher wind speeds and seasonably variable ocean wave contributions. On the basis of the adaptive F-detector quantification of time variable environmental effects, the time-dependent scaling variable is shown to be dependent on both weather conditions and local site effects. Significant seasonal variations in infrasound detections including daily time of occurrence, detection numbers, and phase velocity/azimuth estimates are documented. These time-dependent effects are strongly correlated with atmospheric winds and temperatures and are predicted by available atmospheric specifications. As a result, this suggests that commonly available atmospheric specifications can be used to predict both station and network detection performance, and an appropriate forward model improves location capabilities as a function of time.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Simulation of Channel Flow with Square Ribs for Blanket First-Wall Cooling: Geometry-Specific Tuning of k-ω Model Using Adjoint Method

Cooling of the plasma-facing first wall is challenging in the design of blanket components because of the high heat flux (on the order of 𝑀𝑊/𝑚2) from the plasma, especially when a low thermal mass medium like helium is chosen as the coolant. Therefore, heat transfer enhancement in which the convective heat transfer rate is augmented by the addition of turbulence-promoting structures becomes a key initiative for providing sufficient cooling capability with helium. Previously, computational fluid dynamics simulations had been performed on pipe flows with different transverse and longitudinal ribbed geometries at Oak Ridge National Laboratory to compare the enhancement performance among different ribbed geometries. Rib shape morphing had been conducted to obtain an optimized rib profile. In the work presented here, the adjoint method is adopted in the ANSYS Fluent solver for turbulence model augmentation, and the Generalized k-ω (GEKO) turbulence model is employed because of its ability of tuning the turbulence model. The Nusselt number and pressure drop obtained from the channel flow with bottom ribbed wall experiments are used as the targets. Sensitivity analysis provides information as guidance to improve the turbulence model accuracy. The augmented GEKO model is tuned for the studied ribbed channel geometry and flow conditions, providing improved predictive accuracy within this context. Extension to other configurations offers potential but may require additional tuning and validation.

Xu, Tracy [ORNL] (ORCID:0009000193700887)↗
DOE OSTI2017

Fermions in Two Dimensions: Scattering and Many-Body Properties

Ultracold atomic Fermi gases in two dimensions (2D) are an increasingly popular topic of research. The interaction strength between spin-up and spin-down particles in two-component Fermi gases can be tuned in experiments, allowing for a strongly interacting regime where the gas properties are yet to be fully understood. We have probed this regime for 2D Fermi gases by performing T = 0 ab initio diffusion Monte Carlo calculations. The many-body dynamics are largely dependent on the two-body interactions; therefore, we start with an in-depth look at scattering theory in 2D. We show the partial-wave expansion and its relation to the scattering length and effective range. Then, we discuss our numerical methods for determining these scattering parameters. Here, we close out this discussion by illustrating the details of bound states in 2D. Transitioning to the many-body system, we also use variationally optimized wave functions to calculate ground-state properties of the gas over a range of interaction strengths. We show results for the energy per particle and parametrize an equation of state. We then proceed to determine the chemical potential for the strongly interacting gas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Feedback Control Approaches for Restoration of Power Grids from Blackouts

The automated restoration of power systems with variable energy resources is a timely problem to tackle. Automated restoration advice can support operators in deciding on strategic actions to restore power grids from a blackout with a mix of conventional and renewable generation resources. To this end, this paper frames the restoration process of power grids with solar resources as a nonlinear dynamic model with algebraic constraints in discrete time which is steered by feedback control loops. We discuss two feedback-control strategies based on greedy and reinforcement learning algorithms, and contrast their performance with restoration plans generated by a mixed-integer linear program. We found that the reinforcement learning algorithm infers restoration actions faster than the greedy one. However, the tuning process of the reinforcement learning parameters is slower than for the greedy one.

machine learning↗
DOE OSTI2023

Cyclobutanedicarboxylate Metal–Organic Frameworks as a Platform for Dramatic Amplification of Pore Partition Effect

Ultrafine tuning of MOF structures at sub-angstrom or picometer levels can help improve separation selectivity for gases with subtle differences. However, for MOFs with large-enough pore size, the effect from ultrafine tuning on sorption can be muted. Here we show an integrative strategy that couples together extreme pore compression with ultrafine pore tuning. Furthermore, this strategy is made possible by unique combination of two features of the pacs platform (pacs = partitioned acs): multi-modular framework and exceptional tolerance towards isoreticular replacement. Specifically, we use one module (Ligand 1, L1) to shrink pore size to an extreme minimum on pacs. A compression ratio of about 30% was achieved (based on unit-cell c/a ratio) from prototypical 1,4-benzenedicarboxylate-pacs to trans-1,3-cyclobutanedicarboxylate-pacs. This is followed by using another module (Ligand 2, L2) for ultrafine pore tuning (< 3% compression). This L1-L2 strategy increases C 2 H 2 /CO 2 selectivity from 2.6 to 20.8 and gives rise to excellent experi-mental breakthrough performance. Being the shortest cyclic dicarboxylate that mimics para-benzene-based moieties us-ing bioisosteric (BIS) strategy on pacs, trans-1,3-cyclobutanedicarboxylate-based MOF chemistry offers new opportuni-ties in MOF chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗