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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantifying the impacts of compound extremes on agriculture

Agricultural production and food prices are affected by hydroclimatic extremes. There has been a growing amount of literature measuring the impacts of individual extreme events (heat stress or water stress) on agricultural and human systems. Yet, we lack a comprehensive understanding of the significance and the magnitude of the impacts of compound extremes. This study combines a fine-scale weather product with outputs of a hydrological model to construct functional metrics of individual and compound hydroclimatic extremes for agriculture. Then, a yield response function is estimated with individual and compound metrics, focusing on corn in the United States during the 1981–2015 period. Supported by statistical evidence, the findings suggest that metrics of compound hydroclimatic extremes are better predictors of corn yield variations than metrics of individual extremes. The results also confirm that wet heat is more damaging than dry heat for corn. This study shows the average yield damage from heat stress has been up to four times more severe when combined with water stress.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Data Reproducibility of Spin-Echo Small-Angle Neutron Scattering Instruments

Spin-echo small-angle neutron scattering (SESANS) is a unique method to measure structures of materials in real space with length scales from ∼ 30 μm to ∼20 µm. As shown in Figure 1, the accessible length scale of SESANS is given by its ability to encode the momentum transfer into the Larmor phase, namely Φ = $\vec{𝛿}$ ⋅ $\vec{𝑄}$, where $\vec{𝑄}$ is the momentum transfer and $\vec{𝛿}$ is the encoding vector of the setup and its projection along Q (δQ) is called spin-echo length (SEL). The spin echo length, which is synonymous with the spatial correlation distance probed, is defined as the following 𝛿𝑄 ∝ 𝜆 2 𝐵𝐿cot𝜃 where 𝜆 is neutron wavelength, B is magnetic field, L is length of the parallelogram magnetic field region, and 𝜃 is the angle between the inclined magnetic field boundary and the beam direction, as shown in Figure 1. The result of the SESANS experiment is a Hankel transformation of the SANS scattering function I(Q), which yields the correlation function of the sample in real space.

47 OTHER INSTRUMENTATION↗
NASA NTRS1974

Calculation of the total electron excitation cross section in the Born approximation using Slater wave functions for the Li (2s yields 2p), Li (2s yields 3p), Na (3s yields 4p), Mg (3p yields 4s), Ca (4s yields 4p) and K (4s yields 4p) excitations

Excitation of neutral atoms by inelastic scattering of incident electrons in gaseous nebulae were investigated using Slater Wave functions to describe the initial and final states of the atom. Total cross sections using the Born Approximation are calculated for: Li(2s yields 2p), Na(3s yields 4p), k(4s yields 4p). The intensity of emitted radiation from gaseous nebulae is also calculated, and Maxwell distribution is employed to average the kinetic energy of electrons.

Simsic, P. L.↗
DOE OSTI2018

Scaling within the spectral function approach

Scaling features of the nuclear electromagnetic response functions unveil aspects of nuclear dynamics that are crucial for interpreting neutrino-and electron-scattering data. In the large momentum-transfer regime, the nucleon-density response function defines a universal scaling function, which is independent of the nature of the probe. In this work, we analyze the nucleon-density response function of 12 C, neglecting collective excitations. We employ particle and hole spectral functions obtained within two distinct many-body methods, both widely used to describe electroweak reactions in nuclei. We show that the two approaches provide compatible nucleon-density scaling functions that for large momentum transfers satisfy first-kind scaling. Both methods yield scaling functions characterized by an asymmetric shape, although less pronounced than that of experimental scaling functions. Finally, this asymmetry, only mildly affected by final state interactions, is mostly due to nucleon-nucleon correlations, encoded in the continuum component of the hole spectral function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Generating shield response functions using a source independent method - 25587

Generalized questions about shield materials are common and yet difficult to answer analytically. Most forms of quick analysis use simple attenuation. The drawback to such methods is the use of mono-energetic averaged cross sections. Averaging a cross section requires knowledge of the flux a priori. If the flux was known, then some more in-depth calculation was performed negating the need for quick scoping calculations. Source independent methods for assessing the transport medium provide a means of creating response functions that yield general statements about the effectiveness of a shielding material. The following paper uses MCNP 6.2 to generate source independent, energy dependent, response functions for the transport medium that allow for quick scoping of effectiveness of various neutron shields. The source independent method here leveraged FT SCX tally treatment, to assess the performance of various shields such that energy response is preserved. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Statistical Multiobjective Optimization of Thiospinel CoNi 2 S 4 Nanocrystal Synthesis via Design of Experiments

Thiospinels, such as CoNi 2 S 4 , are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi 2 S 4 has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi 2 S 4 nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2 5–2 fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/$\bar{d}$) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Furthermore, our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Improved loss functions for machine-learned atomic potentials

Machine learning (ML) has become an invaluable tool across a wide array of domains in science as researchers find new ways to leverage its predictive power. This is especially true in chemistry, where ML is used to fit chemical properties or desirable attributes to the local structure of molecules and materials. In the pursuit of greater accuracy, it is relatively simple to increase the size or complexity of such models, although this often requires simultaneously seeking larger datasets in order to both fit and interpret the larger number of parameters. However, it is equally important to assess the quality and relative importance of the data and how these factors impact the training process. We, therefore, investigate the impact of using different loss functions for training neural network potentials (NNPs), as the loss function defines the error and parameter gradients used to train the NNP. In particular, we test the mean-squared error and Huber loss functions and, using insight from these functions, derive a new loss function based on the Asinh function, which yields significant improvement in the accuracy and generality of NNPs. We show that by discounting/minimizing errors and anomalies in the optimization process, both the Huber and Asinh loss functions improve the training of NNPs, leading to a final potential with a greater effective dimensionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Expedited Model Building Method for Rocket Nozzle Side Loading

Statistical analysis of test data is currently the preferred method of creating models for uncharacterized side loading in rocket nozzles. However, statistical analysis requires multiple data sets to be reliable; getting these sets requires building and testing multiple rocket motors, which is not feasible given the incredible time and cost required to do so. By using a combination of geometry, simplified finite element analysis (FEA) analogs, and algebra we can create a limited predictive model from only one test data set. Once created, the model requires only the input from one strain gauge located at each yaw and pitch attachment bracket for the actuation system. This process is not computationally intensive, therefore saving an abundance of time and budget over using full 3D FEA models to develop a similar predictive model. To develop the model, conversion factors between the strain at the gauge locations and corresponding actuator load is derived from the data. These conversion factors are used to create a “conversion ellipse” that bounds the constitutive properties of the nozzle as one lumped factor. Using a 2D cross-sectional analog of the nozzle exit plane, we create a function that allows us to determine the azimuthal location of the unexpected load based on the ratio between yaw and pitch strain readings. Combining this with the “conversion ellipse” yields a function that given the strain reading outputs an induced actuator load, regardless of the azimuthal location of the unexpected load. As previously mentioned, this predictive model is limited in its application as there is inaccuracy introduced by the use of data by only one test as well as simplifying assumptions. This approach makes a useful tool to quickly determine whether uncharacterized actuator loading events can damage actuation systems or induce loading that exceeds design limits.

Seetha A Kolli↗
DOE OSTI2020

Time‐Dependent Density Functional Theory of Narrow Band Gap Semiconductors Using a Screened Range‐Separated Hybrid Functional

Abstract Predicting the band structure and optical absorption spectra of narrow band gap semiconductors is challenging for electronic structure methods. Here, it is shown shown that density functional theory can yield accurate band structures and time‐dependent density functional theory (TDDFT) can yield accurate optical absorption spectra for these systems. This is achieved by using a screened range‐separated hybrid (SRSH) functional with a single empirical parameter, fit to reproduce the experimental band gap. By comparing TDDFT results based on the SRSH approach with those obtained based on the Heyd–Scuseria–Ernzerhof functional it is shown that screened long‐range exact exchange improves the accuracy of the TDDFT spectra for these systems.

Wing, Dahvyd↗
NASA NTRS1975

Propagation of transients in a random medium

The propagation of transient scalar waves in a three-dimensional random medium is considered. The analysis is based on the smoothing method. An integro-differential equation for the coherent (or average) wave is derived and solved for the case of a statistically homogeneous and isotropic medium and a delta-function source. This yields the coherent Green's function of the medium. It is found that the waveform of the coherent wave depends generally on the distance from the source measured in terms of a certain dimensionless parameter. Based on the magnitude of this parameter, three propagation zones, called the near zone, the far zone, and the intermediate zone, are defined.

Wenzel, A. R.↗
NASA NTRS2009

Low Cost Rapid Response Spacecraft, (LCRRS): A Research Project in Low Cost Spacecraft Design and Fabrication in a Rapid Prototyping Environment

The Low Cost Rapid Response Spacecraft (LCRRS) is an ongoing research development project at NASA Ames Research Center (ARC), Moffett Field, California. The prototype spacecraft, called Cost Optimized Test for Spacecraft Avionics and Technologies (COTSAT) is the first of what could potentially be a series of rapidly produced low-cost satellites. COTSAT has a target launch date of March 2009 on a SpaceX Falcon 9 launch vehicle. The LCRRS research system design incorporates use of COTS (Commercial Off The Shelf), MOTS (Modified Off The Shelf), and GOTS (Government Off The Shelf) hardware for a remote sensing satellite. The design concept was baselined to support a 0.5 meter Ritchey-Chretien telescope payload. This telescope and camera system is expected to achieve 1.5 meter/pixel resolution. The COTSAT team is investigating the possibility of building a fully functional spacecraft for $500,000 parts and $2,000,000 labor. Cost is dramatically reduced by using a sealed container, housing the bus and payload subsystems. Some electrical and RF designs were improved/upgraded from GeneSat-1 heritage systems. The project began in January 2007 and has yielded two functional test platforms. It is expected that a flight-qualified unit will be finished in December 2008. Flight quality controls are in place on the parts and materials used in this development with the aim of using them to finish a proto-flight satellite. For LEO missions the team is targeting a mission class requiring a minimum of six months lifetime or more. The system architecture incorporates several design features required by high reliability missions. This allows for a true skunk works environment to rapidly progress toward a flight design. Engineering and fabrication is primarily done in-house at NASA Ames with flight certifications on materials. The team currently employs seven Full Time Equivalent employees. The success of COTSATs small team in this effort can be attributed to highly cross trained engineering team. The engineers on the team are capable of functioning in two to three engineering disciplines which allows highly efficient interdisciplinary engineering collaboration. NASA Ames is actively proposing mission concepts to use the COTSAT platform to accomplish science. If the COTSAT team validates this approach, it will allow the possibility for remote sensing missions to produce a high science yield for minimal cost and reduced schedule. Another aim of this approach is to yield an accelerated pathway from a Phase A study to mission launch. Leaders in the aerospace industry have shown interest in this methodology. Several visits and tours have been given in the lab. Although the concept of low-cost development is initially met with skepticism from some within the prohibitive aerospace industry, the project's efforts have been highly praised for the accomplishments met within a limited time and budget. Overall the development has progressed tremendously well and the team is answering critical questions for current and future low-cost small satellite developments. COTSAT subsystems are not limited to a specific weight class and could be adapted to produce smaller platforms and to fit various launch vehicles.

Spremo, Stevan↗
NASA NTRS2002

Adjoint-Based, Three-Dimensional Error Prediction and Grid Adaptation

Engineering computational fluid dynamics (CFD) analysis and design applications focus on output functions (e.g., lift, drag). Errors in these output functions are generally unknown and conservatively accurate solutions may be computed. Computable error estimates can offer the possibility to minimize computational work for a prescribed error tolerance. Such an estimate can be computed by solving the flow equations and the linear adjoint problem for the functional of interest. The computational mesh can be modified to minimize the uncertainty of a computed error estimate. This robust mesh-adaptation procedure automatically terminates when the simulation is within a user specified error tolerance. This procedure for estimating and adapting to error in a functional is demonstrated for three-dimensional Euler problems. An adaptive mesh procedure that links to a Computer Aided Design (CAD) surface representation is demonstrated for wing, wing-body, and extruded high lift airfoil configurations. The error estimation and adaptation procedure yielded corrected functions that are as accurate as functions calculated on uniformly refined grids with ten times as many grid points.

Park, Michael A.↗
DOE OSTI2022

Data for Determining Spatially Varying Profit-Maximizing Management Practices for Miscanthus and Switchgrass Production in the Rainfed United States

The compiled datasets include county-level variables used for simulating miscanthus and switchgrass production in 2287 counties across the rainfed US including 5-year (2012-2016) averaged growing season degree days (GDD), 5-year (2012-2016) averaged growing season cumulative precipitation, National Commodity Crop Productivity Index (NCCPI) values, regional dummies (only for miscanthus), the regional-level random effect of the yield response function, N price, land cash rent, the first year fixed cost (only for switchgrass), and separate datasets for simulating an alternative model assuming a constant N rate. The GAMS codes are used to run the simulation to obtain the main results including the age-varying profit-maximizing N rate, biomass yields, and annual profits for miscanthus and switchgrass production across counties in the rainfed US. The STATA codes are used to merge and analyze simulation results and create summary statistics tables and key figures.

Age↗
DOE OSTI2026

A divergent synthetic route to functional copolymer libraries via modular polymers

High-throughput polymer synthesis enables rapid exploration of chemical space but remains limited by batch-to-batch inconsistencies that can obscure structure–property relationship trends. To address this challenge, we developed a synthetic approach to produce multifunctional copolymers using post-polymerization modification of activated ester modular polymers with commercially available amines. Easily derivitized parent polymers—poly(tetrafluorophenyl acrylate) and poly(tetrafluorophenyl styrene sulfonate)—were synthesized by RAFT polymerization to yield single polymer batches containing highly reactive tetrafluorophenyl esters or sulfonate esters on each repeat unit. Tuning post-polymerization modification reaction conditions enabled the addition of sub-stoichiometric amounts of amines (relative to the repeat unit) to yield partially functionalized intermediates that could then be further derivatized. Reaction monitoring by 19 F NMR spectroscopy confirmed good control over these sequential post-polymerization modifications. This synthetic route produced a variety of copolymers with defined comonomer ratios while preserving the underlying polymer structure (degree of polymerization, dispersity, tacticity) for both the acrylate and styrene sulfonate backbones. We further applied this approach in a divergent manner to create a small library of structurally distinct copolymers from a single parent batch in three synthetic steps. This modular, divergent synthesis demonstrates a general route to structurally consistent copolymer libraries that enable systematic studies of structure–property relationships and can accelerate functional materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Two-Flux Green's Function Analysis for Transient Spectral Radiation in a Composite

An analysis is developed for obtaining transient temperatures in a two-layer semitransparent composite with spectrally dependent properties. Each external boundary of the composite is subjected to radiation and convection. The two-flux radiative transfer equations are solved by deriving a Green's function. This yields the local radiative heat source needed to numerically solve the transient energy equation. An advantage of the two-flux method is that isotropic scattering is included without added complexity. The layer refractive indices are larger than one. This produces internal reflections at the boundaries and the internal interface; the reflections are assumed diffuse. Spectral results using the Green's function method are verified by comparing with numerical solutions using the exact radiative transfer equations. Transient temperature distributions are given to illustrate the effect of radiative heating on one side of a composite with external convective cooling. The protection of a material from incident radiation is illustrated by adding scattering to the layer adjacent to the radiative source.

Siegel, Robert↗
DOE OSTI2022

Comparing Model Representations of Physiological Limits on Transpiration at a Semi-arid Ponderosa Pine Site

Mechanistic representations of biogeochemical processes in ecosystem models are rapidly advancing, requiring advancements in model evaluation approaches. Here we quantify multiple aspects of model functional performance to evaluate improved process representations in ecosystem models. We compare semi-empirical stomatal models with hydraulic constraints against more mechanistic representations of stomatal and hydraulic functioning at a semi-arid pine site using a suite of metrics and analytical tools. We find that models generally perform similarly under unstressed conditions, but performance diverges under atmospheric and soil drought. The more empirical models better capture synergistic information flows between soil water potential and vapor pressure deficit to transpiration, while the more mechanistic models are overly deterministic. Although models can be parameterized to yield similar functional performance, alternate parameterizations could not overcome structural model constraints that underestimate the unique information contained in soil water potential about transpiration. Additionally, both multilayer canopy and big-leaf models were unable to capture the magnitude of canopy temperature divergence from air temperature, and we demonstrate that errors in leaf temperature can propagate to considerable error in simulated transpiration. This study demonstrates the value of merging underutilized observational data streams with emerging analytical tools to characterize ecosystem function and discriminate among model process representations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Integrated design and manufacturing for the high speed civil transport (a combined aerodynamics/propulsion optimization study)

This report documents the efforts of a Georgia Tech High Speed Civil Transport (HSCT) aerospace student design team in completing a design methodology demonstration under NASA's Advanced Design Program (ADP). Aerodynamic and propulsion analyses are integrated into the synthesis code FLOPS in order to improve its prediction accuracy. Executing the integrated product and process development (IPPD) methodology proposed at the Aerospace Systems Design Laboratory (ASDL), an improved sizing process is described followed by a combined aero-propulsion optimization, where the objective function, average yield per revenue passenger mile ($/RPM), is constrained by flight stability, noise, approach speed, and field length restrictions. Primary goals include successful demonstration of the application of the response surface methodolgy (RSM) to parameter design, introduction to higher fidelity disciplinary analysis than normally feasible at the conceptual and early preliminary level, and investigations of relationships between aerodynamic and propulsion design parameters and their effect on the objective function, $/RPM. A unique approach to aircraft synthesis is developed in which statistical methods, specifically design of experiments and the RSM, are used to more efficiently search the design space for optimum configurations. In particular, two uses of these techniques are demonstrated. First, response model equations are formed which represent complex analysis in the form of a regression polynomial. Next, a second regression equation is constructed, not for modeling purposes, but instead for the purpose of optimization at the system level. Such an optimization problem with the given tools normally would be difficult due to the need for hard connections between the various complex codes involved. The statistical methodology presents an alternative and is demonstrated via an example of aerodynamic modeling and planform optimization for a HSCT.

Baecher, Juergen↗
NASA NTRS2010

Spaceflight-Induced Cardiovascular Changes and Recovery During NASA's Functional Task Test

Microgravity-induced physiological changes could impair a crewmember s performance upon return to a gravity environment. The Functional Task Test (FTT) is designed to correlate these physiological changes to performance in mission-critical tasks. The Recovery from Fall/Stand Test (RFST) simulates one such task, measuring the ability to recover from a prone position and the cardiovascular response to orthostasis. The purpose of this study was to evaluate spaceflight-induced cardiovascular changes during the FTT. METHODS: Five astronauts participated in the FTT before 10-15 day missions, on landing day (R+0), and one (R+1), six (R+6) and thirty (R+30) days after landing. The RFST consisted of a 2-minute prone rest followed by a 3-minute stand during which heart rate (HR, Holter) and continuous blood pressure (BP, Finometer) were measured. Spectral heart rate variability (HRV) was calculated during the RFST to approximate autonomic function. Statistical analysis was performed with two-factor repeated measures ANOVA. RESULTS: During RFST, HR was higher on R+0 than preflight (p<0.004). This increase in HR persisted on R+1 and R+6 during the stand portion of RFST (p<0.026). BP was well-regulated on all test days. Parasympathetic activity was diminished on R+0 (p=0.035). Sympathovagal balance tended to be affected by spaceflight (main effect, p=0.072), appearing to be slightly elevated during postflight RFST except on R+30. Additionally, analysis of HR during the functional tasks yielded a higher HR on R+0 than preflight during 8 of 11 tasks analyzed, where all tasks had HR return to preflight values by R+30 (p<0.05). CONCLUSION: Spaceflight causes an increase in HR, decrease in parasympathetic activity, and increase in sympathovagal balance, which we confirmed during RFST. These spaceflight-induced changes seen in the RFST, along with the increased postflight HR in most functional tasks, can be used to assess functional performance after short-duration spaceflight.

Arzeno, N. M.↗