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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Numerical spatial marching techniques for estimating duct attenuation and source pressure profiles

A numerical method was developed that could predict the pressure distribution of a ducted source from far field pressure inputs. Using an initial value formulation, the two-dimensional homogeneous Helmholtz wave equation (no steady flow) was solved using explicit marching techniques. The Von Neumann method was used to develop relationships which describe how sound frequency and grid spacing effect numerical stability. At the present time, stability considerations limit the approach to high frequency sound. Sample calculations for both hard and soft wall ducts compare favorably to known boundary value solutions. In addition, assuming that reflections in the duct are small, this initial value approach was successfully used to determine the attenuation of a straight soft wall duct. Compared to conventional finite difference or finite element boundary value approaches, the numerical marching technique is orders of magnitude shorter in computation time and required computer storage and can be easily employed in problems involving high frequency sound.

Baumeister, K. J.↗
NASA NTRS1977

Microscopic Lagrangian description of warm plasmas. III - Nonlinear wave-particle interaction

The averaged-Lagrangian method is applied to nonlinear wave-particle interactions in an infinite, homogeneous, magnetic-field-free plasma. The specific example of Langmuir waves is considered, and the combined effects of four-wave interactions and wave-particle interactions are treated. It is demonstrated how the latter lead to diffusion in velocity space, and the quasilinear diffusion equation is derived. The analysis is generalized to the random phase approximation. The paper concludes with a summary of the method as applied in Parts 1-3 of the paper.

Galloway, J. J.↗
NASA NTRS1978

Numerical spatial marching techniques for estimating duct attenuation and source pressure profiles

A numerical method is developed that could predict the pressure distribution of a ducted source from far-field pressure inputs. Using an initial value formulation, the two-dimensional homogeneous Helmholtz wave equation (no steady flow) is solved using explicit marching techniques. The Von Neumann method is used to develop relationships which describe how sound frequency and grid spacing effect numerical stability. At the present time, stability considerations limit the approach to high frequency sound. Sample calculations for both hard and soft wall ducts compare favorably to known boundary value solutions. In addition, assuming that reflections in the duct are small, this initial value approach is successfully used to determine the attenuation of a straight soft wall duct. Compared to conventional finite difference or finite element boundary value approaches, the numerical marching technique is orders of magnitude shorter in computation time and required computer storage and can be easily employed in problems involving high frequency sound.

Baumeister, K. J.↗
DOE OSTI2023

Results of the Micromorphic Upscaling Workflow for the PSAAP III Year 3 Report

Predicting the mechanical response and failure of heterogeneous materials has proven difficult. Multiscale numerical methods based in higher order continuum theories attempt to bridge the gap between microscale and macroscale structural behavior. Micromorphic continuum theories have shown promise. The Tardigrade software package is an implementation of Eringen’s micromorphic continuum theory with capabilities to support multiscale material modeling workflows. These include homogenization through the Micromorphic Filter, calibration of micromorphic material models, and macroscale simulation in Tardigrade-MOOSE. This work discusses micromorphic upscaling efforts of the University of Colorado Boulder PSAAP III multidisciplinary simulation center (MSC). Verification studies are presented that compare the accuracy of the upscaling workflow with analytical solutions for a trivial stress state and homogeneous material using direct numerical simulations (DNS) conducted in the Ratel finite element method (FEM) and GEOS material point method (MPM) codes. These verification studies consider upscaling using the Micromorphic Filter for a “single filter domain”. Finally, DNS of a heterogeneous composite material is upscaled using a “multiple filter domain” method.

36 MATERIALS SCIENCE↗
NASA NTRS2021

A Method for Landsat and Sentinel 2 (HLS) BRDF Normalization

The Harmonized Landsat/Sentinel-2 (HLS) project aims to generate a seamless surface reflectance product by combining observations from USGS/NASA Landsat-8 and ESA Sentinel-2 remote sensing satellites. These satellites’ sampling characteristics provide nearly constant observation geometry and low illumination variation through the scene. However, the illumination variation throughout the year impacts the surface reflectance by producing higher values for low solar zenith angles and lower reflectance for large zenith angles. In this work, we present a model to derive the bidirectional reflectance distribution function (BRDF) normalization and apply it to the HLS product at 30m spatial resolution. It is based on the BRDF parameters estimated from the MODerate Resolution Imaging Spectroradiometer (MODIS) surface reflectance product (M{O,Y}D09) at 1 km spatial resolution using the VJB method (Vermote et al., 2009). Unsupervised classification (segmentation) of HLS images is used to disaggregate the BRDF parameters to the HLS spatial resolution and to build a BRDF parameters database at HLS scale. We first test the proposed BRDF normalization for different solar zenith angles over two homogeneous sites, in particular one desert and one Peruvian Amazon forest. The proposed method reduces both the correlation with the solar zenith angle and the coefficient of variation (CV) of the reflectance time series in the red and near infrared bands to 4% in forest and keeps a low CV of 3% to 4% for the deserts. Additionally, we assess the impact of the view zenith angle (VZA) in an area of the Brazilian Amazon forest close to the equator, where impact of the angular variation is stronger because it occurs in the principal plane. The directional reflectance shows a strong dependency with the VZA. The current HLS BRDF correction reduces this dependency but still shows an under-correction, especially in the near infrared, while the proposed method shows no dependency with the view angles. We also evaluate the BRDF parameters using field surface albedo measurements as a reference over seven different sites of the US surface radiation budget observing network (SURFRAD) and five sites of the Australian OzFlux network.

Belen Franch↗
NASA NTRS1997

A scale space feature based registration technique for fusion of satellite imagery

Feature based registration is one of the most reliable methods to register multi-sensor images (both active and passive imagery) since features are often more reliable than intensity or radiometric values. The only situation where a feature based approach will fail is when the scene is completely homogenous or densely textural in which case a combination of feature and intensity based methods may yield better results. In this paper, we present some preliminary results of testing our scale space feature based registration technique, a modified version of feature based method developed earlier for classification of multi-sensor imagery. The proposed approach removes the sensitivity in parameter selection experienced in the earlier version as explained later.

Raghavan, Srini↗
NASA NTRS1984

Analysis and testing for rotordynamic coefficients of turbulent annular seals with different, directionally-homogeneous surface-roughness treatment for rotor and stator elements

A combined analytical-computational method has been developed to calculate the transient pressure field and rotordynamic coefficients for high-pressure annular seals. The solution procedure applies to constant-clearance or the convergent tapered geometries of multistage centrifugal pumps which may have different surface roughness conditions on the stator and rotor seal elements. In experimental calculations with the method, the turbulent equations of Hirs (1973) are modified slightly to account for different surface roughness conditions, and a perturbation analysis is employed to develop zeroth and first order perturbation equations. Zeroth equations are also used to define both the leakage and circumferential flow due to shear stresses around the stator and rotor surfaces. The solution to analytical equations for four different surface roughnesses confirm the predicted net damping for the seals. A round-holed stator pattern yielded the highest net damping and lowest leakage of all the seals tested.

Childs, D. W.↗
NASA NTRS2012

Impact of Non-Uniform Beam Filling on Spaceborne Cloud and Precipitation Radar Retrieval Algorithms

In this presentation we will discuss the performance of classification and retrieval algorithms for spaceborne cloud and precipitation radars such as the Global Precipitation Measurement mission Dual-frequency Precipitation Radar (GPM/DPR), and notional radar for the Aerosol/Clouds/Ecosystem (ACE) mission and related concepts. Spaceborne radar measurements are simulated either from Airborne Precipitation Radar 2nd Generation observations, or from atmospheric model outputs via instrument simulators contained in the NASA Earth Observing Systems Simulators Suite (NEOS(sup 3)). Both methods account for the three dimensional nature of the scattering field at resolutions smaller than that of the spaceborne radar under consideration. We will focus on the impact of non-homogeneities of the field of hydrometeors within the beam. We will discuss also the performance of methods to identify and mitigate such conditions, and the resulting improvements in retrieval accuracy. The classification and retrieval algorithms analyzed in this study are those derived from APR-2's Suite of Processing and Retrieval Algorithms (ASPRA); here generalized to operate on an arbitrary set of radar configuration parameters to study the expected performance of spaceborne cloud and precipitation radars. The presentation will highlight which findings extend to other algorithm families and which ones do not.

Aerosol/Clouds/Ecosystem (ACE)↗
NASA NTRS1979

A numerical method for determination of source time functions for general three-dimensional rupture propagation

A method to determine the displacement and the stress on the crack plane for a three-dimensional shear crack of arbitrary shape propagating in an infinite, homogeneous medium which is linearly elastic everywhere off the crack plane is presented. The main idea of the method is to use a representation theorem in which the displacement at any given point on the crack plane is written as an integral of the traction over the whole crack plane. As a test of the accuracy of the numerical technique, the results are compared with known solutions for two simple cases.

Das, S.↗
DOE OSTI2020

An efficient method to integrate polynomials over polytopes and curved solids

Here in this paper, we present an efficient approach to compute the integral of monomials and polynomials over polyhedra and regions defined by parametric curved boundary surfaces. We use Euler's theorem for homogeneous functions in combination with Stokes's theorem to reduce the integration of a monomial over a three-dimensional solid to its boundary. If the solid is a polytope, through a recursive application of these theorems, the integral is further reduced to just the evaluation of the monomial and its derivatives at the vertices of the polytope. The present approach is simpler than existing techniques that rely on repeated use of the divergence theorem, which require the antiderivative of the monomials and the projection of these functions onto hyperplanes. For convex and nonconvex polytopes, our approach does not introduce any approximation for the integration of monomials. For curved solid regions bounded by surfaces that admit a parameterization, the same approach yields simplified formulas to compute the integral of any homogeneous function, including monomials. For surfaces parameterized by polynomial surfaces (such as Bezier surface triangles and B-spline patches), the method yields machine-precision accuracy for the volumetric integration of monomials with an appropriate quadrature rule. Numerical examples over regions bounded by polynomial surfaces and rational surfaces are presented to establish the accuracy and efficiency of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Implementation of Perturbation Theory and Sensitivity Capabilities in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor Multiphysics analysis application, jointly developed by Argonne and Idaho National Laboratories under the DOE-NE NEAMS program. This fiscal year, capabilities for reactivity and sensitivity evaluation using perturbation methods were implemented and verified. The First Order Perturbation Method (FOPT) was employed to compute reactivity worth resulting from small perturbations in input parameters, while the Generalized Perturbation Theory (GPT) was used to evaluate sensitivities of a range of response types, including reaction rate ratio, k-eigenvalue, neutron generation time, and effective delayed neutron fraction. These perturbation methods enable users to quantify how response quantities change due to a perturbation in a input parameter without explicitly performing an additional transport simulation for each perturbed state. In particular, the GPT formulation accounts for indirect effects arising from flux changes by solving generalized inhomogeneous equations, for which a Neumann series-based iterative solution method was developed and implemented in Griffin. The implemented reactivity and sensitivity evaluation capabilities were verified using two test problems: an infinite homogeneous system and a two-dimensional hexagonal core. The results showed excellent agreement with reference solutions obtained by a direct method based on finite difference approximation as well as GPT-based results from the PERSENT code, confirming the accuracy of both reactivity and sensitivity evaluations. Additionally, preliminary uncertainty quantification (UQ) results were obtained by combining the sensitivity values computed using GPT and external covariance data, demonstrating that the implemented sensitivity results can be reliably used for uncertainty calculations. To further demonstrate the generality and practical strength of the implementation, the sensitivity evaluation capability was successfully applied to the Empire microreactor with a geometrically complex design that poses significant modeling challenges. The results confirm that Griffin enables sensitivity evaluations even for irregular and highly heterogeneous reactor configurations, thereby establishing a foundation for UQ applications in advanced reactor designs and analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Chemomechanics in alloy phase stability

We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an explicit dependence on homogeneous strain in addition to site occupation variables that track the degree of chemical ordering. The method is applied to the Si-Ge binary alloy and is used to calculate free energies that describe phase stability under arbitrary epitaxial constraints. We find that while the incoherent phase diagram (in which coexisting phases are not affected by coherency constraints) hosts a miscibility gap, coherent phase equilibrium predicts ordering and negative enthalpies of mixing. Instead of chemical instability, the chemomechanical free energy exhibits instabilities along directions that couple the composition of the alloy with a volumetric strain order parameter. Furthermore, this has fundamental implications for phase field models of spinodal decomposition as it indicates the importance of gradient energy coefficients that couple gradients in composition with gradients in strain.

Materials Science↗
DOE OSTI2022

Crystal plasticity modeling of strain-induced martensitic transformations to predict strain rate and temperature sensitive behavior of 304 L steels: Applications to tension, compression, torsion, and impact

This paper advances crystallographically-based Olson-Cohen (direct γ → α’) and deformation mechanism (indirect γ→ε→α’) phase transformation models for predicting strain-induced austenite to martensite transformation. Here, the advanced transformation models enable predictions of not only strain-path sensitive, but also of strain-rate and temperature sensitive deformation of polycrystalline stainless steels (SSs). The deformation of constituent grains in SSs is modeled as a combination of anisotropic elasticity, crystallographic slip, and phase transformation, while the hardening is based on the evolution of dislocation density and explicit shifts in phase fractions. Such grain-scale deformation is implemented within the meso-scale elasto-plastic self-consistent (EPSC) homogenization model, which is coupled with the implicit finite element (FE) method to provide a constitutive response at each FE integration point for solving boundary value problems at the macro-scale. Parameters pertaining to the hardening and transformation models within FEEPSC are calibrated and validated on a suite of data including flow curves and phase fractions for monotonic compression, tension, and torsion as a function of strain-rate and temperature for wrought and additively manufactured (AM) SS304L. To illustrate the potential and accuracy of the integrated multi-level FE-EPSC simulation framework, geometry, mechanical response, phase fractions, and texture evolution are simulated during gas-gun impact deformation of a cylinder and quasi-static tension of a notched specimen made of AM SS304L. Details of the simulation framework, comparison between experimental and simulation results, and insights from the results are presented and discussed.

304L steels↗
DOE OSTI2026

Aluminum Based Solvent-Free Organic–Inorganic Hybrid Materials

In emerging materials, molecular hybrids are especially promising, as they have molecular level mixing of the organic and inorganic components, producing homogeneous materials without interfaces that can deteriorate properties. However, the current methods of manufacturing molecular hybrids are based on solution processing, which is impractical for bulk materials such as may be used for optically clear radiation and electromagnetic shielding components or photonics. Here we examine molecular hybrids composed of aluminum isopropoxide (AIP) and epoxy resins aiming to understand the molecular scale chemistry and manufacturability of these hybrid materials. DSCmonitored cure revealed the ideal cure temperature for these materials is 160−170 °C and demonstrated that an AIP concentration of 16.7 wt % maximizes the extent of reaction. Kinetic analysis of the curing reaction showed the Sestak−Berggren autocatalytic model is effective at temperatures over 140 °C but the reaction has diffusion limitations at a temperature of 120 °C. Mechanical testing with custom resin molds revealed a decrease in properties of the bulk samples with increasing AIP content due to an increase in defects but further testing with nanoindentation demonstrated comparable or improved mechanical properties of AIP-epoxy hybrids compared to epoxy resin with a standard hardener. Ultimately, this work lays the foundation for hardener-free epoxy-aluminum inorganic/organic hybrids and presents opportunities to expand on properties for specific applications such as thermal conductivity, optical clarity, and dielectric constant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Supported Oxygen Evolution Catalysts by Design: Toward Lower Precious Metal Loading and Improved Conductivity in Proton Exchange Membrane Water Electrolyzers

Reducing the precious metal content of water oxidation catalysts for proton-exchange-membrane water electrolyzers remains a critical barrier to their large-scale deployment. Herein, we present an engineered architecture for supported iridium catalysts, which enables decreased precious metal content and improved activity and conductivity. The improvement in performance at lower precious metal loading is realized by the deposition of a conformal layer of platinum nanoparticles on titanium dioxide (TiO 2 ) using a facile photoreduction method to prepare conductive layer coated supports (CCSs). Platinum nanoparticles are homogeneously dispersed on TiO 2 , and the conductivity of the subsequent catalysts with 39 wt % precious group metal loadings is significantly higher than the commercial 75 wt % loaded IrO 2 -TiO 2 catalysts. The conformal conductive layer also maintains an enhanced conductivity and electrochemical activity upon thermal annealing when compared to catalysts without the conductive layer and nonconformal heterogeneous conductive layer. The iridium mass activity from half-cell studies shows a 141% improvement for CCS supported catalysts at 42% lower loadings compared to the commercial catalysts. The conductive layer also improves the single cell electrolyzer performance at a similar catalyst loading in comparison to a commercial state-of-the-art catalyst. Here, we correlate the physical properties of the engineered catalysts with their electrochemical performance in electrolyzers to understand structure-activity relationships, and we anticipate further performance improvements upon synthesis and materials optimizations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Cross-Sections of Nanocellulose from Wood Analyzed by Quantized Polydispersity of Elementary Microfibrils

Bio-based nanocellulose has been shown to possess impressive mechanical properties and simplicity for chemical modifications. The chemical properties are largely influenced by the surface area and functionality of the nanoscale materials. However, finding the typical cross-sections of nanocellulose, such as cellulose nanofibers (CNFs), has been a long-standing puzzle, where subtle changes in extraction methods seem to yield different shapes and dimensions. Here, we extracted CNFs from wood with two different oxidation methods and variations in degree of oxidation and high-pressure homogenization. Additionally, the cross-sections of CNFs were characterized by small-angle X-ray scattering and wide-angle X-ray diffraction in dispersed and freeze-dried states, respectively, where the results were analyzed by assuming that the cross-sectional distribution was quantized with an 18-chain elementary microfibril, the building block of the cell wall. We find that the results agree well with a pseudosquare unit having a size of about 2.4 nm regardless of sample, while the aggregate level strongly depends on the extraction conditions. Furthermore, we find that aggregates have a preferred cohesion of phase boundaries parallel to the (110)-plane of the cellulose fibril, leading to a ribbon shape on average.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Defect-mediated diffusion of implanted Mg in GaN: Suppressing dopant redistribution by sequential thermal and microwave annealing

The diffusion behavior of Mg in Mg/N co-implanted GaN is investigated in response to a set of annealing conditions and methodologies, namely, 1000 °C/30 min thermal anneal, by high-temperature pulsed gyrotron microwave annealing at 1420 or 1500 °C, or by thermal and microwave annealing, sequentially. After 1000 °C annealing, the diffusion of Mg in GaN is found to be negligible, as measured by secondary ion mass spectrometry. Annealing by gyrotron microwave annealing alone induces the diffusion of Mg at a rate on the order of 10 −12 cm 2 /s. However, the use of a thermal anneal before microwave gyrotron annealing reduces this rate by an order of magnitude to 10 −13 cm 2 /s. We find that a model that considers Mg diffusion from an inhomogeneous medium that contains a defect-rich implanted region near-surface to a relatively pristine region below the implant range better explains the observed diffusion behavior than a conventional model that assumes a homogeneous medium. By analyzing the diffusion behavior using the Boltzmann–Matano method, we present a discussion of reduction in [V Ga ] by thermal annealing at 1000 °C, leading to a suppressed diffusion coefficient during subsequent high-temperature annealing relative to diffusion after 1420/1500 °C annealing alone. This effect holds potential for improvement in the precision of selectively doped regions for future applications based on the (Al)GaN material system. An improved field profile control in real devices can increase the breakdown and current-handling capabilities in power electronic applications.

Meyers, V.↗
DOE OSTI2021

Materials Challenges and Opportunities for Energy Generation, Conversion, Delivery, and Storage (Applied Energy Tri-Laboratory Consortium Workshop Report)

This report documents the outcomes of the Tri-Laboratory Materials Workshop that was held July 31 and August 1, 2019 to begin addressing the needs, opportunities, and challenges associated with the development, fabrication, and testing of the needed materials and components for integrated hybrid energy systems (i.e., incorporating nuclear, fossil, and renewables for electric and thermal applications). This was accomplished by assembling the research program leads and principal investigators at Idaho National Laboratory (INL), National Energy Technology Laboratory (NETL), and National Renewable Energy Laboratory (NREL), who support the research and development of new technology and system integration. The team then identified and prioritized key materials development needs. This effort was intended to enhance communications and synergy among the Tri-Lab partners. Advanced functional and structural materials are central to transformative energy technologies for energy generation, conversion, delivery, and storage. With that in mind, the workshop focused on identifying and assessing the foundational materials research needs at both the basic and applied levels. Materials challenges include the ability to withstand harsh environments, such as high temperatures and pressures, corrosion, oxidation, or irradiation while maintaining flexible mission profiles and long service lifespans. Advanced energy system material challenges and needs range from materials for the capture, upgrading/concentration, storage, and delivery of low-grade heat to materials for high temperature environments that involve liquid metals, molten salt, and very high temperature gas heat delivery and storage systems. Material improvements are needed for hybrid energy systems due to accelerated corrosion and stress-fatigue failure of materials and equipment, which results from increased frequency and amplitude of thermal, mechanical, and electrical cycling of systems components. Multifunctional materials are needed for high temperature solid-oxide fuel cells, advanced electrochemical reactors, and in-process separation. Relative to materials manufacturing, application of advanced additive and subtractive methods need to be understood to develop both thin-layer homogenous materials and materials of graded composition. Materials modeling and machine learning will be critical to accelerate the design and production of power electronics, and nuclear reactor materials and fuel, as well as to gain an understanding of beneficial materials phenomena or deleterious microstructure evolution. There is also a need for standardized models, computational structures, data reporting protocols and modeling tools across the three laboratories. This would allow consistent results, analysis, and data sharing. Combining computational capabilities between the three laboratories (e.g., hardware, software) would greatly increase computational capabilities and throughput. The workshop identified the need for laboratories to anticipate and address problems that will occur during scale-up. Laboratory work must connect with industry to ensure that research focuses on processes that are scalable and marketable. Industry input and perspective are essential to guide laboratory research to meet these requirements and deploy new technology in industrial demonstrations. Another aspect of scale-up is the integration of multiple systems since new challenges often arise at the subsystem interfaces. Establishing a scale-up manufacturing demonstration/pilot plant, potentially as an industrial user facility, would be beneficial to the laboratories and industry. That modular scale-up manufacturing demonstration/pilot plant would allow researchers to find and resolve interface problems that cannot be identified by focusing only on individual parts. Communication exchanges among the organizers, attendees, and workshop survey responses indicate that the workshop was successful in achieving its goal to identify key technology gaps and research needs. Strong positive feedback was received on the sharing of ideas, capabilities, talent, and passion to move forward on the materials-related action items.

36 MATERIALS SCIENCE↗