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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Computational Study of Near-limit Propagation of Detonation in Hydrogen-air Mixtures

A computational investigation of the near-limit propagation of detonation in lean and rich hydrogen-air mixtures is presented. The calculations were carried out over an equivalence ratio range of 0.4 to 5.0, pressures ranging from 0.2 bar to 1.0 bar and ambient initial temperature. The computations involved solution of the one-dimensional Euler equations with detailed finite-rate chemistry. The numerical method is based on a second-order spatially accurate total-variation-diminishing (TVD) scheme, and a point implicit, first-order-accurate, time marching algorithm. The hydrogen-air combustion was modeled with a 9-species, 19-step reaction mechanism. A multi-level, dynamically adaptive grid was utilized in order to resolve the structure of the detonation. The results of the computations indicate that when hydrogen concentrations are reduced below certain levels, the detonation wave switches from a high-frequency, low amplitude oscillation mode to a low frequency mode exhibiting large fluctuations in the detonation wave speed; that is, a 'galloping' propagation mode is established.

Yungster, S.↗
NASA NTRS2007

POD Model Reconstruction for Gray-Box Fault Detection

Proper orthogonal decomposition (POD) is the mathematical basis of a method of constructing low-order mathematical models for the "gray-box" fault-detection algorithm that is a component of a diagnostic system known as beacon-based exception analysis for multi-missions (BEAM). POD has been successfully applied in reducing computational complexity by generating simple models that can be used for control and simulation for complex systems such as fluid flows. In the present application to BEAM, POD brings the same benefits to automated diagnosis. BEAM is a method of real-time or offline, automated diagnosis of a complex dynamic system.The gray-box approach makes it possible to utilize incomplete or approximate knowledge of the dynamics of the system that one seeks to diagnose. In the gray-box approach, a deterministic model of the system is used to filter a time series of system sensor data to remove the deterministic components of the time series from further examination. What is left after the filtering operation is a time series of residual quantities that represent the unknown (or at least unmodeled) aspects of the behavior of the system. Stochastic modeling techniques are then applied to the residual time series. The procedure for detecting abnormal behavior of the system then becomes one of looking for statistical differences between the residual time series and the predictions of the stochastic model.

Park, Han↗
DOE OSTI2026

Understanding the Role of Extrinsic Impurities in Bulk Nb SRF Cavities

High gradient and high quality factor superconducting radiofrequency (SRF) cavities are essential for efficient particle acceleration in next-generation accelerators. This work demonstrates that the superconducting performance of bulk niobium can be enhanced through a controlled introduction of interstitial oxygen and nitrogen. Thermal and chemical surface treatments modify the concentration and distribution of these impurities, enabling systematic tuning of SRF cavity performance. By combining cavity RF measurements with quantitative materials characterizations, we isolate the impact of impurity concentration on BCS surface resistance and identify the mechanisms by which interstitial impurities alter the superconducting properties of niobium. We find that nitrogen is an order of magnitude more effective than oxygen in reducing BCS resistance at 16 MV/m and that the reduction arises from a combination of mean free path optimization and superconducting gap enhancement. Using these insights, we develop a predictive model that estimates cavity performance directly from room temperature sample material studies, reducing the reliance on full-scale cryogenic tests for surface treatment development. We then apply this model to explore co-doping strategies, demonstrating that combining interstitial oxygen and nitrogen achieves a synergistic reduction in BCS resistance. These results establish co-doping as a viable path for the development of surface-engineered niobium for future high quality factor SRF applications.

Hu, Hannah [Chicago U.]↗
NASA NTRS1992

A parameterization for longwave surface radiation from satellite data - Recent improvements

Several improvements have been made recently to the parameterization for surface longwave radiation described by Gupta (1989). Model constants have been modified in order to use meteorological data from the International Satellite Cloud Climatology Project instead of from the TIROS Operational Vertical Sounder data, primarily to take advantage of the vastly superior cloud information available from the former. Additional modifications were made to improve the estimation of cloud effect in the presence of low-level clouds. The latter modifications reduced the systematic error of the overcast-sky fluxes from 10.0 to 1.7 W/sq m and the random error from +/- 18.9 to +/- 6.3 W/sq m when compared to the fluxes computed with a detailed radiative transfer model.

Gupta, Shashi K.↗
DOE OSTI2025

One Galaxy Sample to Rule Them All: Halo Occupation Distribution Modeling of DES Year 3 Source Galaxies

Abstract For the joint analysis of second-order weak-lensing and galaxy clustering statistics, so-called 3 × 2 analyses, the selection and characterization of optimal galaxy samples is a major area of research. One promising choice is to use the same galaxy sample as lenses and sources, which reduces the systematics parameter space that describes the uncertainties related to galaxy samples. Such a “lens-equal-source” analysis significantly improves the self-calibration of photo- z systematics, leading to improved cosmological constraints. With the aim of enabling a lens-equal-source analysis on small scales, we investigate the halo–galaxy connection of DES Year 3 source galaxies. We develop a technique to construct mock source galaxy populations by matching COSMOS/UltraVISTA photometry to U niverse M achine galaxies. These mocks predict a source halo occupation distribution (HOD) that exhibits significant redshift evolution, nontrivial central incompleteness, and galaxy assembly bias. We produce multiple realizations of mock source galaxies drawn from the U niverse M achine posterior, with added uncertainties in the measured Dark Energy Survey photometry and galaxy shapes. We fit a modified HOD formalism to these realizations to produce priors on the galaxy–halo connection for cosmological analyses. We additionally train an emulator that predicts this HOD to ∼2% accuracy from redshift z = 0.1−1.3 that models the dependence of this HOD on (1) observational uncertainties in galaxy size and photometry and (2) uncertainties in the U niverse M achine predictions.

Salcedo, Andrés N. (ORCID:000000031420527X)↗
NASA NTRS1990

Order (n) DISCOS for multibody systems with gear reduction

Recent developments in O(n) algorithms (where n is the number of bodies in the system) and parallel processing have drastically reduced the computer time needed to simulate systems involving many bodies. This paper presents a gear-reduction model for the O(n) version of DISCOS, a standard software package for simulation and analysis of flexible multibody systems. The gear-reduction model allows the accurate modeling of harmonic drives, which are commonly used in robot joints. The formulation has been implemented and validated with known results. The gear model can also be used for gear-train, rack-and-pinion, and screw joints.

Chun, Hon M.↗
DOE OSTI2020

Accelerating high-strain continuum-scale brittle fracture simulations with machine learning

Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this discrete crack evolution at the continuum level is computationally expensive or, in some cases, intractable, resulting in the need to make broad assumptions or neglect key physics. In this work, we have developed an approach using machine learning that overcomes the current inability to represent meso-scale physics at the macro-scale. Our approach leverages damage and stress data from a computationally expensive high-fidelity model that explicitly resolves microcrack behavior to build an inexpensive machine learning emulator. Once trained, the machine learning emulator is used to predict the evolution of crack length statistics, which then informs a continuum-scale constitutive model. This results in a significant speed-up of the workflow by four orders of magnitude. Both the machine learning emulator and the continuum-scale model are validated against the high-fidelity model and experimental data, respectively, showing excellent agreement. There are two key findings. The first is that we can reduce the dimensionality of the problem, establishing that the machine learning emulator only needs the length of the longest crack and one of the maximum stress components to capture the necessary physics. Another compelling finding is that the emulator can be trained in one experimental setting and transferred successfully to predict behavior in a different setting.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electron–Phonon and Spin–Lattice Coupling in Atomically Thin Layers of MnBi 2 Te 4

MnBi 2 Te 4 represents a new class of magnetic topological insulators in which novel quantum phases emerge at temperatures higher than those found in magnetically doped thin films. Here in this paper, we investigate how couplings between electron, spin, and lattice are manifested in the phonon spectra of few-septuple-layer thick MnBi 2 Te 4 . After categorizing phonon modes by their symmetries, we study the systematic changes in frequency, line width, and line shape of a spectrally isolated A1g mode. The electron–phonon coupling increases in thinner flakes as manifested in a broader phonon line width, which is likely due to changes of the electron density of states. In 4- and 5-septuple thick samples, the onset of magnetic order below the Néel temperature is concurrent with a transition to an insulating state. We observe signatures of a reduced electron–phonon scattering across this transition as reflected in the reduced Fano parameter. Finally, spin–lattice coupling is measured and modeled from temperature-dependent phonon frequency.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Wox3 -patterning module organizes planar growth in grass leaves and ligules

Grass leaves develop from a ring of primordial initial cells within the periphery of the shoot apical meristem, a pool of organogenic stem cells that generates all of the organs of the plant shoot. At maturity, the grass leaf is a flattened, strap-like organ comprising a proximal supportive sheath surrounding the stem and a distal photosynthetic blade. The sheath and blade are partitioned by a hinge-like auricle and the ligule, a fringe of epidermally derived tissue that grows from the adaxial (top) leaf surface. Together, the ligule and auricle comprise morphological novelties that are specific to grass leaves. Understanding how the planar outgrowth of grass leaves and their adjoining ligules is genetically controlled can yield insight into their evolutionary origins. Here we use single-cell RNA-sequencing analyses to identify a ‘rim’ cell type present at the margins of maize leaf primordia. Cells in the leaf rim have a distinctive identity and share transcriptional signatures with proliferating ligule cells, suggesting that a shared developmental genetic programme patterns both leaves and ligules. Moreover, we show that rim function is regulated by genetically redundant Wuschel-like homeobox3 (WOX3) transcription factors. Higher-order mutations in maize Wox3 genes greatly reduce leaf width and disrupt ligule outgrowth and patterning. Together, these findings illustrate the generalizable use of a rim domain during planar growth of maize leaves and ligules, and suggest a parsimonious model for the homology of the grass ligule as a distal extension of the leaf sheath margin.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys

High-entropy alloys (HEAs) have attracted great attention due to their many unique properties and potential applications. The nature of interatomic interactions in this unique class of complex multicomponent alloys is not fully developed or understood. We report a theoretical modeling technique to enable in-depth analysis of their electronic structures and interatomic bonding, and predict HEA properties based on the use of the quantum mechanical metrics, the total bond order density (TBOD) and the partial bond order density (PBOD). Application to 13 biocompatible multicomponent HEAs yields many new and insightful results, including the inadequacy of using the valence electron count, quantification of large lattice distortion, validation of mechanical properties with experiment data, modeling porosity to reduce Young’s modulus. This work outlines a road map for the rational design of HEAs for biomedical applications.

36 MATERIALS SCIENCE↗
NASA NTRS1981

PAN AIR - A higher order panel method for predicting subsonic or supersonic linear potential flows about arbitrary configurations

PAN AIR is a computer program for predicting subsonic or supersonic linear potential flow about arbitrary configurations. It uses linear source and quadratic doublet strength distributions. These higher-order distributions have been implemented in a manner that greatly reduces the numerical stability problems that have plagued earlier attempts to make surface paneling methods work successfully for supersonic flow. PAN AIR's problem-solving capability, numerical approach, modeling features, and program architecture are described. Numerical results are presented for a variety of geometries at supersonic Mach numbers.

Carmichael, R. L.↗
NASA NTRS1981

Bifurcations from stationary to periodic solutions in a low-order model of forced, dissipative barotropic flow

The considered investigation is concerned with periodic solutions in the context of a forced, dissipative, barotropic spectral model truncated to three complex coefficients with constant forcing on only the intermediate scale. It is found that determining a periodic solution of this three-coefficient model also reduces to finding the algebraic roots of a real polynomial. In the derivation of this polynomial, a class of hydrodynamic spectral systems is described for which a periodic solution might be similarly specified. The existence of periodic solutions of the three-coefficient model is controlled by the roots of the stability polynomial of the basic stationary solution, which represents the simplest response to the constant forcing. When the forcing exceeds a critical value, the basic solution becomes unstable. Owing to the nature of the roots of the stability polynomial at critical forcing, bifurcation theory guarantees the existence of a periodic solution.

Mitchell, K. E.↗
NASA NTRS1985

Turbulent flow model for vapor collection efficiency of a high-purity silicon reactor

In this study a mathematical model and a computer code based on this model was developed to allow prediction of the product distribution in chemical reactors for converting gaseous silicon compounds to condensed-phase silicon. Specifically, the model formulated describes the silicon vapor separation/collection from the developing turbulent flow stream within reactors of the Westinghouse type. Migration of the silicon vapor to the reactor walls was described by the parametric solutions presented here, in order to reduce the experimentation necessary in the design of such reactors. Calculations relating to the collection efficiencies of such reactors are presented as a function of the reactor throughflow and distance along its length.

Srivastava, R.↗
NASA NTRS1995

Numerical simulation of the nonlinear response of composite plates under combined thermal and acoustic loading

A time-domain study of the random response of a laminated plate subjected to combined acoustic and thermal loads is carried out. The features of this problem also include given uniform static inplane forces. The formulation takes into consideration a possible initial imperfection in the flatness of the plate. High decibel sound pressure levels along with high thermal gradients across thickness drive the plate response into nonlinear regimes. This calls for the analysis to use von Karman large deflection strain-displacement relationships. A finite element model that combines the von Karman strains with the first-order shear deformation plate theory is developed. The development of the analytical model can accommodate an anisotropic composite laminate built up of uniformly thick layers of orthotropic, linearly elastic laminae. The global system of finite element equations is then reduced to a modal system of equations. Numerical simulation using a single-step algorithm in the time-domain is then carried out to solve for the modal coordinates. Nonlinear algebraic equations within each time-step are solved by the Newton-Raphson method. The random gaussian filtered white noise load is generated using Monte Carlo simulation. The acoustic pressure distribution over the plate is capable of accounting for a grazing incidence wavefront. Numerical results are presented to study a variety of cases.

Mei, Chuh↗
NASA NTRS1996

A New Higher-Order Composite Theory for Analysis and Design of High Speed Tilt-Rotor Blades

A higher-order theory is developed to model composite box beams with arbitrary wall thicknesses. The theory, based on a refined displacement field, represents a three-dimensional model which approximates the elasticity solution. Therefore, the cross-sectional properties are not reduced to one-dimensional beam parameters. Both inplane and out-of-plane warping are automatically included in the formulation. The model accurately captures the transverse shear stresses through the thickness of each wall while satisfying all stress-free boundary conditions. Several numerical results are presented to validate the present theory. The developed theory is then used to model the load carrying member of a tilt-rotor blade which has thick-walled sections. The composite structural analysis is coupled with an aerodynamic analysis to compute the aeroelastic stability of the blade. Finally, a multidisciplinary optimization procedure is developed to improve the aerodynamic, structural and aeroelastic performance of the tilt-rotor aircraft. The Kreisselmeier-Steinhauser function is used to formulate the multiobjective function problem and a hybrid approximate analysis is used to reduce the computational effort. The optimum results are compared with the baseline values and show significant improvements in the overall performance of the tilt-rotor blade.

McCarthy, Thomas Robert↗
NASA NTRS2001

A Rapid Aerodynamic Design Procedure Based on Artificial Neural Networks

An aerodynamic design procedure that uses neural networks to model the functional behavior of the objective function in design space has been developed. This method incorporates several improvements to an earlier method that employed a strategy called parameter-based partitioning of the design space in order to reduce the computational costs associated with design optimization. As with the earlier method, the current method uses a sequence of response surfaces to traverse the design space in search of the optimal solution. The new method yields significant reductions in computational costs by using composite response surfaces with better generalization capabilities and by exploiting synergies between the optimization method and the simulation codes used to generate the training data. These reductions in design optimization costs are demonstrated for a turbine airfoil design study where a generic shape is evolved into an optimal airfoil.

Rai, Man Mohan↗
NASA NTRS2010

Model-Checking with Edge-Valued Decision Diagrams

We describe an algebra of Edge-Valued Decision Diagrams (EVMDDs) to encode arithmetic functions and its implementation in a model checking library along with state-of-the-art algorithms for building the transition relation and the state space of discrete state systems. We provide efficient algorithms for manipulating EVMDDs and give upper bounds of the theoretical time complexity of these algorithms for all basic arithmetic and relational operators. We also demonstrate that the time complexity of the generic recursive algorithm for applying a binary operator on EVMDDs is no worse than that of Multi-Terminal Decision Diagrams. We have implemented a new symbolic model checker with the intention to represent in one formalism the best techniques available at the moment across a spectrum of existing tools: EVMDDs for encoding arithmetic expressions, identity-reduced MDDs for representing the transition relation, and the saturation algorithm for reachability analysis. We compare our new symbolic model checking EVMDD library with the widely used CUDD package and show that, in many cases, our tool is several orders of magnitude faster than CUDD.

Roux, Pierre↗
DOE OSTI2022

Insights into Methodologies and Operational Details of Resource Adequacy Assessment: A Case Study with Application to a Broader Flexibility Framework

Assessing and maintaining resource adequacy (RA) is a core pillar of power systems. However, recent changes in the physical makeup of these systems and the conditions under which these systems must operate have yielded a renewed interest in the methods, metrics, and assumptions that underpin RA assessments. In this paper, we systematically explore a wide range of RA modeling dimensions, including: the objective function and level of operational detail in the underlying model formulation; the quantity (look-ahead) and quality (accuracy) of data that is available for making operational decisions within those models; and the physical configuration of solar photovoltaics (PV) with battery storage hybrid resources. We apply a set of probabilistic RA tools and production cost modeling tools to a realistic test system based loosely on a future Electric Reliability Council of Texas power system dominated by solar PV resources. Under the assumptions of our system and models, we find that multi-stage probabilistic assessments may provide a more robust evaluation of RA by capturing a wider range of operational and system interactions, but this comes at a computational cost of 1-2 orders of magnitude longer run time depending on the specific configuration. In addition, the information on thermal generator availability impacts RA performance by an order of magnitude more than solar resource forecasts, which is driven by the comparatively larger magnitude of thermal outages than solar forecast errors within our test system. Lastly, the flexibility provided by hybrid and other resources can help reduce system load-shedding event frequencies and enable the system to be more robust to inaccurate forecast information, and alternative hybrid inverter sizes can impact RA levels by 1-2 orders of magnitude. Our results point to the importance of a broader flexibility framework to describe the interaction between (1) flexibility "supply" from both physical resource capabilities and operational constraints considered in the modeling, and (2) flexibility "demand" from forecast errors, thermal generator outages, and other sources of uncertainty, as well as their RA impacts. Results are likely sensitive to the system buildout explored; future work could consider additional system configurations and conditions.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗