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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A continuum framework for coupled solid deformation–fluid flow through anisotropic elastoplastic porous media

We present a continuum framework for coupled solid deformation–fluid flow in anisotropic elastoplastic porous media. A thermodynamic formulation of the coupled processes gives rise to an anisotropic Biot tensor that is a function of drained elastic tangent moduli tensor of the solid skeleton and the intrinsic bulk modulus of the solid constituent. Two effective stress measures emerge from the formulation, namely, σ', which is energy-conjugate to the elastic strain, and σ'', which is energy-conjugate to the plastic strain. For the special case of transverse isotropy that is commonly encountered in natural rocks, the Biot tensor can be expressed in terms of its normal and tangential components to the bedding plane, along with a microstructure tensor. Apart from its thermodynamic consistency, an advantage of this new formulation is that standard mixed finite element formulation can be employed to discretize the domain and solve initial boundary-value problems. We conduct plane strain simulations of coupled solid deformation–fluid flow in a transversely isotropic porous medium to demonstrate the impacts of material anisotropy, stress history, and the Biot tensor on the system response.

42 ENGINEERING↗
DOE OSTI2023

Swelling and permeability effects during propellant cookoff

Large rocket motors may violently explode when exposed to accidental fires. Even hot metal fragments from a nearby accident may penetrate the propellant and ultimately cause thermal ignition. A mechanistic understanding of heated propellants leading to thermal runaway is a major unsolved problem. Here we show that thermal ignition in propellants can be predicted using a universal cookoff model coupled to a micromechanics pressurization model. Our model predicts the time to thermal ignition in cookoff experiments with variable headspace volumes. Furthermore, we found that experiments with headspace volumes are more prone to deformation which distorts pores and causes increased permeability when the propellant expands into this headspace. Delayed ignition with larger headspace volume correlates with lower headspace pressures during decomposition. We found that our predictions matched experimental measurements best when the initial propellant was impermeable to gas flow rather than being permeable. Similar behavior is expected with other energetic materials with rubbery binders. Our model is validated using data from a separate laboratory. We also present an uncertainty analysis using Latin Hypercube Sampling (LHS) of thermal ignition caused by a steel fragment embedded in the propellant.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Complex-Valued Intermolecular Coupling Enables Directional Exciton Transport in Excitonic Circuits

Molecular systems capable of directing the flow of excitons are key to the development and optimization of optoelectronic materials. The transport of excitons across multiple molecules is governed by an intermolecular electronic coupling network. In this article, we consider the effects of complex-valued intermolecular electronic coupling on exciton transport. Here, we present a molecular motif capable of generating complex-valued coupling under excitation with circularly polarized light. We use theoretical modeling and simulation to illustrate how complex coupling can be leveraged to drive the rotational flux of excitons in cyclic molecular networks and direct the exciton population in branched molecular networks.

chromophores↗
DOE OSTI2020

Vortex guidance and transport in channeled pinning arrays

Here, we numerically examine vortices interacting with pinning arrays where a portion of the pinning sites have been removed in order to create coexisting regions of strong and weak pinning. The region without pinning sites acts as an easy-flow channel. For driving in different directions with respect to the channel, we observe distinct types of vortex flow. When the drive is parallel to the channel, the flow first occurs in the pin free region followed by a secondary depinning transition in the pinned region. At high vortex densities there is also an intermediate plastic flow phase due to the coupling between the weak and strong pinning regions. For driving applied perpendicular to the channel, we observe a jammed phase in which vortices accumulate on the boundary of the pinned region due to the vortex-vortex repulsion, while at higher drives the vortices begin to flow through the pinning array. For driving at an angle to the channel, depending on the filling we observe a drive-induced reentrant pinning effect as well as negative differential mobility which occurs when vortices move from the unpinned to the pinned portion of the sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dynamic thermal behavior of polycrystalline LaB 6 hollow cathodes

Lanthanum hexaboride (LaB6) hollow cathodes have demonstrated a capability for long life operation, which is critical to many space exploration missions. Thermal characterization of LaB6 hollow cathodes has revealed lower than expected electron emitter temperatures when the cathode reaches a steady state. This phenomenon is observed at discharge currents ranging from 5 to 35 A and xenon mass flow rates of 5–25 SCCM in cathodes with three different orifice diameters. Thus, the currently accepted value of the work function for polycrystalline LaB 6 , 2.67 eV, does not describe well the emission characteristics of LaB6 hollow cathodes operating with internal gas discharges at a steady state. We use empirically measured temperatures combined with a model of the hollow cathode emitter and xenon discharge to estimate the value of the work function, yielding a value ranging from 2.1 to 2.44 eV. This lower work function value implies that LaB6 hollow cathodes are expected to have even longer lifetimes than previously anticipated, further establishing them as a more suited alternative to other conventional cathode technologies for the task of long duration travel. Direct measurements of the work function as a function of depth on a hollow cathode emitter using x-ray photoelectron spectroscopy and ion beam milling indicate that the work function decreases with depth. We postulate several mechanisms that could explain the observed work function enhancement. Altogether, our results have important implications to the design, study approach, and operation of LaB 6 cathodes and potentially other cathodes with hollow configuration. Finally, our work opens the question of why the work function is reduced upon interaction with Xe plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Increase in the effective viscosity of polyethylene under extreme nanoconfinement

Understanding polymer transport in nanopores is crucial for optimizing heterogeneously catalyzed processes in polymer upcycling and fabricating high-performance nanocomposite films and membranes. Although confined polymer dynamics have been extensively studied, the behavior of polyethylene (PE)—the most widely used commodity polymer—in pores smaller than 20 nm remains largely unexplored. We investigate the effects of extreme nanoconfinement on PE transport using capillary rise infiltration in silica nanoparticle packings with average pore radii ranging from ~1 to ~9 nm. Using in situ ellipsometry and the Lucas–Washburn model, we discover a previously unknown inverse relationship between effective viscosity (η eff ) and average pore radius (R pore ). Additonally, we determine that PE transport under these extreme conditions is primarily governed by physical confinement, rather than pore surface chemistry. We refine an existing theory to provide a generalized formalism to describe the polymer transport dynamics over a wide range of pore radii (from 1 nm and larger). Our results offer valuable insights for optimizing catalyst supports in polymer upcycling and improving infiltration processes for nanocomposite fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Chapter 2: Evaluating a Concentrating Solar Power Plantas an Extended-Duration Peaking Resource

We explore the ability of a concentrating solar power (CSP) plant with thermal energy storage (TES) to provide peaking capacity. We focus on future power systems, wherein net load patterns may be significantly different than they are today (e.g., due to higher renewable-energy penetrations). We examine 28 locations in the southwestern United States over an 18-year period. The hourly operation of the CSP plants are simulated to determine their potential to provide energy during an eight-hour peak-load window for each day up to 365 days per year. Our result shows that for the large majority of locations and years, CSP plants with certain configurations (i.e., in terms of solar field and TES sizes) can provide nearly 100% peak-load capacity. We examine also the amount of supplemental energy (e.g.,by using natural gas as a supplemental thermal-energy source) that would be required to ensure that a CSP plant could serve the eight highest-load hours of every day of the year. We find that in most cases, a CSP plant supplemented with natural gas would require less than 5% of the fuel that is used by a natural-gas fired power plant providing the same level of reliable capacity. A series of sensitivity analyses show that these results are robust to the number of peak-load hours and days that are considered and the configuration of the CSP plant.

capacity value↗
DOE OSTI2025

Brazilian CBP - Technoeconomic analysis data

This data is related to the paper entitled "Techno-economic analysis of sugarcane bagasse and straw conversion into cellulosic ethanol via consolidated bioprocessing". That features the evaluation of sugarcane bagasse and straw conversion to ethanol at stand-alone facilities generating electricity from residues. The following scenarios were evaluated: Conventional, featuring hydrothermal pretreatment, fungal cellulase, and yeast fermentation (current commercial standard); Mid-term consolidated bioprocessing (CBP), relying on bagasse solubilization without pretreatment or cotreatment; and Mature CBP, incorporating cotreatment but no pretreatment and considering significant technological advance of the CBP. Available here are the spreadsheets used for Material and Energy balance calculation, Capital and Operational costs estimation and Cash flow analysis. Also available are the description and python code used for Monte Carlo analysis of the ethanol and capital investment variations. This data can be used as a source to implement other techno-economic analysis in the biorefinary context.

09 BIOMASS FUELS↗
DOE OSTI2021

Concentric Ring Gas Atomization Die Design for Optimized Particle Production

In partnership with Linde plc (formerly Praxair, Inc.), Ames Laboratory will further develop and commercialize its concentric-ring high pressure gas atomization (CR-HPGA) gas-die technology with a goal to improve the precision of metal powder production in a desired size range and quality. The successful commercialization of this technology could reduce production cost of metal powders and improve reliability of this industrial process, increasing specialty alloy powder availability for new applications and adoption into additive manufacturing and multiple materials sectors. The project scope is to [1] utilize AMES compressible gas flow and melt break-up models to explore a wide swath of parameter space available for the CR-HPGA technology, identifying the most promising gas-die designs for fabrication, [2] verify and optimize the new gas-die design, fabricate it and select preferred operating parameters by gas-only flow imaging and aspiration pressure measurements, down-selecting gas compositions and atomization parameters for full scale testing, [3] perform pilot-scale atomization trials with Al and/or Cu alloys of a new CR-HPGA gas-die at selected parameters, [4] evaluate gas-die performance by comparing resulting powder size distribution and powder quality attributes with equivalent powders made by conventional close-coupled HPGA technology, and [5] assess (through Praxair partnership) reduction in operational costs of new CR-HPGA gas-die through the use of an inert gas recovery/recycling system. In partnership with Praxair, Inc., the team, led by Ames Laboratory senior metallurgist Iver Anderson, intend to demonstrate the performance of an optimized CR-HPGA gas-die design in a pilot scale atomizer and better understand the design and operational controls to increase overall benefits for precision metal powder production.

42 ENGINEERING↗
DOE OSTI2023

Isatin derivative redoxmer for electrochemical device

An electrochemical device includes a compound that is an isatin derivative. The electrochemical device may be a lithium ion battery, a sodium ion battery, or a redox flow battery, and the isatin derivative may be a bipolar redox active material.

Bheemireddy, Sambasiva Reddy↗
DOE OSTI2025

Pre-Transient Characterization of MLOF-1 Test Pin

This study focuses on the pre-transient characterization of U-10Zr test and sibling fuel pins for the THOR-M-LOF test series. Using neutron radiography, element contact profilometry (ECP), precise gamma scan (PGS), and gas assay, sampling, and recharge (GASR) analysis, it was confirmed that the fuel pins were intact and suitable for testing. Key fuel behaviors quantified include axial elongation, diametral strain, fluff structure geometry, axial isotope distribution, and fission gas release. Any deviations from historically expected behaviors were investigated and attributed to factors other than the irradiation behavior of the fuel pin. These pre-transient measurements establish a baseline for future post-transient analysis, which will be used to inform fuel performance models and safety criteria for sodium-cooled fast reactors (SFRs). The results will enhance understanding of transient fuel behavior and expand limited data on LOF scenarios.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Simulation of Isotopic Concentrations and Gamma Spectra from Dynamic Fission Sources

A tool was developed to rapidly generate synthetic gamma-ray spectra to evaluate safeguards material control and accounting methods for liquid-fueled molten salt reactors. Molten salt reactor operations pose unique challenges to nuclear safeguards methods and protocols compared to deployed reactors designs (e.g., light water reactors). This research evaluates the use of gamma-ray spectroscopy to monitor fission product isotopic flow through a reactor model to understand expected operations and investigate changes to the spectra with material diversion scenarios. The large design space of molten salt reactors (e.g., liquid-fueled, liquid-cooled, online separations) could potentially lead to many measurement points within the reactor system. The developed analytical tool generates and evaluates synthetic gamma-ray spectra from dynamic reactor simulations by extracting isotopic inventory to generate source terms. An implementation in the Gamma Detector Response and Analysis Software (GADRAS) Application Program Interface (API) uses the source terms, a model of the reactor component, a detector response function, and measurement plan to quickly generate and analyze spectra. Prospective measurements are then evaluated in the more accurate but slower Geant4 simulations. Utilization of the developed modeling tool and analysis of the subsequent spectra enables optimization of collimation, shielding requirements, and expected count rates that are used to determine key measurement points in the modeled reactor design.

O'Brien, Sean↗
DOE OSTI2021

Characterization of Natural Consolidated Halloysite Nanotube Structures

Halloysite is a unique 1:1 clay mineral frequently appearing with nanotubular morphology, and having surfaces of different polarity with interesting and important technological applications. HNTs can be consolidated naturally in the earth by pressure and thermal flows. In this study of natural consolidated HNTs, the strength and hardness of these materials were found to be dependent on the presence of impurities (gibbsite, alunite, quartz, and other silica minerals), which accounted for the increased stability of such samples. In the absence of impurities, the strength of consolidated HNTs was significantly lower. The first 3D mapping of the pore structure of natural consolidated HNT is provided. The contributions of the porosity within the nanotubes and between the nanotubes were delineated using a combination of non-invasive ultra-small and small-angle X-ray scattering (USAXS/SAXS) analyses, BET/BJH pore size analyses, and computed tomography studies. A total porosity of 40%, as determined by X-ray attenuation and He porosimetry, was found for the natural consolidated HNTs, of which about one-third was due to the inter-HNT porosity. Nano-X-ray computed tomography (nano-XCT) analyses also indicated that 76% of the inter-HNT pores were smaller than 150 nm in diameter. The intra-HNT pore size determined by combined USAXS/SAXS and BET/BJH was about 10 nm. This pore network information is essential for the utilization of natural consolidated HNTs as a model geomaterial to investigate the effects of surface characteristics on confined fluid flow.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Revealing melt flow instabilities in laser powder bed fusion additive manufacturing of aluminum alloy via in-situ high-speed X-ray imaging

Laser metal additive manufacturing technologies enable the fabrication of geometrically and compositionally complex parts unachievable by conventional manufacturing methods. However, the certification and qualification of additively manufactured parts are greatly hindered by the stochastic melt flow instabilities intrinsic to the process, which has not been explicitly revealed by direct observation. Here, we report the mechanisms of the melt flow instabilities in laser powder bed fusion additive manufacturing process revealed by in-situ high-speed high-resolution synchrotron X-ray imaging. Here we identified powder/droplet impact, significant keyhole oscillation, and melting-mode switching as three major mechanisms for causing melt flow instabilities. We demonstrated the detrimental consequences of these instabilities brought to the process, and presented new understanding on the melt flow evolution and keyhole oscillation. This work provides critical insights into process instabilities during laser metal additive manufacturing, which may guide the development of instability mitigation approaches. The results reported here are also important for the development and validation of high-fidelity computational models.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Control of light-matter interactions in hybrid structured environments with novel nanomaterials of different dimensionalities

The project calls for exploration of individual nanomaterials and the ability to fabricate functional structures without degrading the properties of components. The rich photophysics of novel semiconductors like transition metal dichalcogenides (TMDs), lead halide perovskites (LHPs) and nanocrystal quantum dots (NQDs) can be gainfully exploited in integrated photonic structures alongside conventional semiconducting and dielectric materials. Realization of the prospects of such hybrid structures crucially depends on the ability to fabricate these “designer” assemblies while preserving and enhancing the optoelectronic properties of individual components. We study emission properties of these materials at both bulk and single particles levels to elucidate their intrinsic photophysical properties in order to minimize energy losses and facilitate their judicious integration via control of energy/charge flows and photon-exciton interconversions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Catalysts Prepared from Atomically Dispersed Ce(III) on MgO Rival Bulk Ceria for CO Oxidation

Atomically dispersed cerium catalysts on an inert, crystalline MgO powder support were prepared by using both Ce(III) and Ce(IV) precursors. The materials were used as catalysts for CO oxidation in a once-through flow reactor and characterized by atomic-resolution scanning transmission electron microscopy, X-ray absorption near edge structure spectroscopy, X-ray photoelectron spectroscopy, and temperature-programmed reduction, among other techniques, before and after catalysis. The most active catalysts, formed from the precursor incorporating Ce(III), displayed a performance similar to that reported for bulk ceria under comparable conditions. The catalyst provided stable time-on-stream performance for as long as it was kept on stream, two days, increasing slightly in activity as the atomically dispersed cerium ions were transformed into ceria nanodomains represented as CeO x and having increased reducibility on the MgO support. Furthermore, the results suggest how highly dispersed supported ceria catalysts with low cerium loadings can be prepared and may pave the way to improved efficiencies of cerium utilization in oxidation catalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The nonlinear rheology of complex yield stress foods

Many foods have a yield stress that allows them to retain a desired shape at rest, but transition into a viscous fluid when being served or consumed. The determination of the yield stress of the food dictates how the foods are formed and packaged, how they are served, and how they are perceived when being eaten. Oscillatory shearing provides an ideal test protocol to map the rheology across a range of time and flow strength scales. We couple oscillatory shearing and an iterative recovery procedure to show that the yielding process is a continuous transition for two common yield stress foods. We show that unrecoverable processes from oscillatory tests are equivalent to the steady shear flow behavior. We show that this yielding behavior can be well approximated by a recently published model that treats yield stress materials as continuous viscoelastic fluids with a rate-dependent relaxation time and has parameters that can be obtained from the linear viscoelastic oscillatory frequency sweep and the steady shear flow curve.

Griebler, James J.↗