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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Analytical model for balling defects in laser melting using rivulet theory and solidification

In laser welding and additive manufacturing communities, the balling (humping) defect is primarily attributed to the Plateau–Rayleigh fluid instability (PRI) with a few authors suggesting fluid jetting and volume conservation as alternative mechanisms. As analytical descriptions of these mechanisms are unavailable, combining them into a single formalism is unfeasible. We present a new model of PRI with higher accuracy, accounting for competition with solidification, to compare the expected behavior with known experimental trends when fluid jetting is neglected. We adapt a rivulet instability model from fluid physics to account for the stabilizing effects of the substrate, which the traditional cylindrical-jet geometry does not account for and estimate the instability growth rate. Our model yields a continuous transition from non-balling to balling hitherto lacking in current literature and predicts instability growth at higher wavelengths with strong sensitivity to the solidification front curvature. While the fluid surface is most unstable for shallow melt pools, the absolute magnitude of balling relevant to printing defects scales with melt pool depth and has a maximum for a given melt pool geometry. Synchrotron-based x-ray radiography of thin samples indicates that PRI growth rates and solidification can be comparable in magnitude and thus compete, as we find in this work. We predict that deviations between model predictions and our experimental results demonstrate the importance of fluid flows and heat transport in the balling process. Our experiments further demonstrate at least one mechanism by which the melt pool length and the balling wavelength are not equivalent, as commonly claimed.

Taylor, Z. [Stanford Univ., CA (United States); SL↗
DOE OSTI2025

Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers

The accurate first-principles description of strongly correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving compressed many-body Hamiltonians that maintain the essential physics of strongly correlated materials. The solution of these material-specific models is still exponentially difficult to generate on classical computers, but quantum algorithms allow for a significant speed-up in obtaining the ground states of these compressed Hamiltonians. Here, we demonstrate that using quantum algorithms to obtain the properties of downfolded Hamiltonians can indeed yield high-fidelity solutions. By combining ab initio downfolding and variational quantum eigensolvers, we correctly predict the antiferromagnetic state of one-dimensional cuprate Ca 2 Cu O 3 , the excitonic ground state of monolayer W Te 2 , and the charge-ordered state of correlated metal Sr VO 3 . Numerical simulations using a classical tensor network implementation of variational quantum eigensolvers allow us to simulate large models with up to 54 qubits and encompassing up to four bands in the correlated subspace, which is indicative of the complexity that our framework can address. Through these methods we demonstrate the potential of classical preoptimization and downfolding techniques for enabling efficient materials simulation using quantum algorithms.

Alvertis, Antonios M. [NASA, Ames; LBNL, Berkeley]↗
DOE OSTI2025

Advancements in Constitutive Model Calibration: Leveraging the Power of Full‐Field DIC Measurements and In Situ Load Path Selection for Reliable Parameter Inference

Accurate material characterization and model calibration are essential for computationally supported high-consequence engineering decisions. Historically, characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data are collected for a specific model of interest, (3) use deterministic methods that provide best-fit parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work brings together several recent advancements into an improved workflow called interlaced characterization and calibration (ICC) that advances the state-of-the-art in constitutive model calibration. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) quantifies parameter uncertainty through Bayesian inference and (4) incorporates these advancements into a quasi real-time feedback loop. The ICC framework is demonstrated here on the calibration of a material model using simulated full-field data for an aluminium cruciform specimen being deformed biaxially. The cruciform is actively driven through the myopically preferred load path using Bayesian optimal experimental design, which selects load steps that yield the maximum expected information gain (EIG). Principal component analysis (PCA) is performed on the model predictions of full-field displacements, and fast surrogate models are built to approximate the input-output relationships of the expensive finite element model. Furthermore, the tools developed and demonstrated here show that high-fidelity constitutive models can be efficiently and reliably calibrated with quantified uncertainty, thus supporting credible decision-making and potentially increasing the agility of solid mechanics modelling by enabling utilization of computational simulations at earlier stages of the design cycle.

Bayesian optimal experimental design↗
DOE OSTI2023

The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory

Ground-state Kohn-Sham density functional theory provides, in principle, the exact ground-state energy and electronic spin densities of real interacting electrons in a static external potential. In practice, the exact density functional for the exchange-correlation (xc) energy must be approximated in a computationally efficient way. About 20 mathematical properties of the exact xc functional are known. In this work, we review and discuss these known constraints on the xc energy and hole. By analyzing a sequence of increasingly sophisticated density functional approximations (DFAs), we argue that (a) the satisfaction of more exact constraints and appropriate norms makes a functional more predictive over the immense space of many-electron systems and (b) fitting to bonded systems yields an interpolative DFA that may not extrapolate well to systems unlike those in the fitting set. We discuss both how the class of well-described systems has grown along with constraint satisfaction and the possibilities for future functional development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modeling Dust Production, Growth, and Destruction in Reionization-era Galaxies with the CROC Simulations. II. Predicting the Dust Content of High-redshift Galaxies

Abstract We model the interstellar dust content of the reionization era with a suite of cosmological, fluid-dynamical simulations of galaxies with stellar masses ranging from ∼10 5 to 10 9 M ⊙ in the first 1.2 Gyr of the Universe. We use a post-processing method that accounts for dust creation and destruction processes, allowing us to systematically vary the parameters of these processes to test whether dust-dependent observable quantities of galaxies at these epochs could be useful for placing constraints on dust physics. We then forward model observable properties of these galaxies to compare to existing data. We find that we are unable to simultaneously match existing observational constraints with any one set of model parameters. Specifically, the models that predict the largest dust masses D / Z ≳ 0.1 at z = 5—because of high assumed production yields and/or efficient growth via accretion in the interstellar medium—are preferred by constraints on total dust mass and infrared (IR) luminosities, but these models produce far too much attenuation in the ultraviolet (UV), preventing them from matching observations of β UV . To investigate this discrepancy, we analyze the relative spatial distribution of stars and dust as probed by IR and UV emission, which appear to exhibit overly symmetric morphologies compared to existing data, likely due to the limitations of the stellar feedback model used in the simulations. Our results indicate that the observable properties of the dust distribution in high redshift galaxies are a particularly strong test of stellar feedback.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1981

An approach to thermal-vacuum test optimization

An analytical model is presented that simulates failure rate characteristics of spacecraft equipment progressing through component and system level thermal-vacuum test programs and on into orbit. Costs for the test programs are part of the model as well as costs attributable to the mission. A lost value function combines the performance of the equipment with these costs and allows comparisons to be made among various test combinations and the resulting predicted mission performance. A minimum overall cost program is obtained by selecting that test program that yields the lowest lost value figure.

Kruger, R.↗
NASA NTRS1983

A Chemical Kinetic Mechanism for the Ignition of Silane/Hydrogen Mixtures

A chemical kinetic reaction mechanism for the oxidation of silane/hydrogen mixtures is presented and discussed. Shock-tube ignition delay time data were used to evaluate and refine the mechanism. Good agreement between experimental results and the results predicted by the mechanism was obtained by adjusting the rate coefficient for the reaction SiH3 + O2 yields SiH2O + OH. The reaction mechanism was used to theoretically investigate the ignition characteristics of silane/hydrogen mixtures. The results revealed that over the entire range of temperature examined (800 K to 1200 K), substantial reduction in ignition delay times is obtained when silane is added to hydrogen.

Jachimowski, C. J.↗
NASA NTRS1984

Free jet feasibility study of a thermal acoustic shield concept for AST/VCE application: Single stream nozzles

A technology base for the thermal acoustic shield concept as a noise suppression device for single stream exhaust nozzles was developed. Acoustic data for 314 test points for 9 scale model nozzle configurations were obtained. Five of these configurations employed an unsuppressed annular plug core jet and the remaining four nozzles employed a 32 chute suppressor core nozzle. Influence of simulated flight and selected geometric and aerodynamic flow variables on the acoustic behavior of the thermal acoustic shield was determined. Laser velocimeter and aerodynamic measurements were employed to yield valuable diagnostic information regarding the flow field characteristics of these nozzles. An existing theoretical aeroacoustic prediction method was modified to predict the acoustic characteristics of partial thermal acoustic shields.

Majjigi, R. K.↗
NASA NTRS1986

Shaping of airplane fuselages for minimum drag

The VSAERO surface panel method is employed to investigate fuselage shapes which can enhance the natural laminar flow (NLF) characteristics. The study is performed at cruise Re which are relevant to commuter, transport, and business aircraft. The technique is based on piecewise constant doublet and source singularities and takes into account the effects of compressibility. Inviscid pressure distributions were generated for five configurations to aid in the search for an optimized NLF body shape as a function of the transition locations and the drag coefficients. Granville's transition criteria are incorporated into the calculations to yield shapes with longer runs of laminar flow and reduced drag. In comparison with other transition prediction methods, the method described is shown to have significantly higher valicity for making three-dimensional transition predictions.

Dodbele, S. S.↗
NASA NTRS1985

A high energy Space Station (HESS) array for studying extremely energetic cosmic rays

The scientific aims and design concept of a High-Energy Space Station (HESS) cosmic-ray detector array are discussed. The current state of knowledge on cosmic-ray acceleration and high-energy interactions is briefly reviewed, and the need for observations yielding elemental composition and spectra in the 10-10,000-TeV/nucleon range is demonstrated. It is predicted that 2 yr of observations with a space-borne detector of geometry factor 30 sq m sr would provide adequate data to determine the acceleration mechanism (by comparing the energy level at which the spectra of He nuclei and protons break). A modular HESS array comprising W/scintillator/PM-tube calorimeter modules and Cerenkov charge-sensitive detector modules and weighing about 30 tonnes is described. The array could be assembled on orbit after transport in the Space Shuttle cargo bay, and data could be taken as soon as one or two layers of modules had been attached to the mounting-frame/support-electronics unit.

Ormes, J. F.↗
NASA NTRS1991

Relative contributions of discrete and continuum absorption to the photodissociation of vibrationally excited O2 (v = 12-20)

In order to test the proposal that photodissociation of highly vibrationally excited O2 in the Schumann-Runge (SR) band is a source of upper stratospheric ozone, cross sections for the band and continuum absorption are calculated. Calculated maximum SR cross sections are in the 1-2 x 10 to the -18th sq cm range, with the O2(B) state contributing 2-3 orders of magnitude greater absorption than the 1 3Pi(u) state. For v-double prime = 12, it is shown that the SR band and continuum cross sections merge smoothly at 250 nm. It is shown that numerous processes, the most important of which is nonlinear photoabsorption, ultimately lead to the prediction that narrow laser line absorption in the 248-nm region should generate comparable O atom yields whether absorption is into the bands or the continuum. In the atmosphere, SR band absorption is the dominant process.

Saxon, R. P.↗
NASA NTRS1991

Benchmark solutions for the galactic heavy-ion transport equations with energy and spatial coupling

Nontrivial benchmark solutions are developed for the galactic heavy ion transport equations in the straightahead approximation with energy and spatial coupling. Analytical representations of the ion fluxes are obtained for a variety of sources with the assumption that the nuclear interaction parameters are energy independent. The method utilizes an analytical LaPlace transform inversion to yield a closed form representation that is computationally efficient. The flux profiles are then used to predict ion dose profiles, which are important for shield design studies.

Ganapol, Barry D.↗
NASA NTRS1991

Evidence of auroral plasma cavities at Uranus and Neptune from radio burst observations

Radio bursts originating from the stronger magnetic polar regions of both Uranus and Neptune were detected by the planetary radio astronomy experiment during the Voyager 2 encounters with the planets. It has previously been demonstrated that these bursts are beamed into a broad, hollow emission pattern from their auroral sources. It is now shown that the bursts at both planets also manifest similar detailed patterns, with the waves beamed into two separate and distinct radiation cones at intermediate wave frequencies. This double-cone emission pattern is predicted by relativistic cyclotron resonance theory, and application of this theory to the observed emission pattern yields the plasma density structure within the radio source region. Calculations indicate that at both Uranus and Neptune the plasma-to-cyclotron frequency ratio can drop well below 0.01 within the active region. Such low values indicate that the southern auroral zones at both planets contain an auroral plasma cavity that is similar to that found in earth's nightside auroral zone.

Farrell, W. M.↗
NASA NTRS1992

Atmospheric concentrations of submicron contact-freezing nuclei

Atmospheric concentrations of contact-freezing nuclei were measured using a technique primarily sensitive to submicron aerosol particles. Diffusion and phoretic forces were relied on for the capture of nuclei by supercooled drops of distilled water exposed to the sample air. Nucleus concentrations were deduced from the rate at which the drops were observed to freeze, interpreting that rate on the basis of a theoretical prediction of aerosol capture rate for different assumed sizes of the nuclei. Measurements at Laramie, Wyoming, yielded average concentrations of contact-freezing nuclei of 1.7/L at -15 C and 3.1/L at -18 C for an assumed radius of 0.01 micron for the nucleating particles.

Deshler, Terry↗
NASA NTRS1993

A study of the earth's free core nutation using international deployment of accelerometers gravity data

In this study we consider the influence of the earth's free core nutation (FCN) on diurnal tidal admittance estimates for 11 stations of the globally distributed International Deployment of Accelerometers network. The FCN causes a resonant enhancement of the diurnal admittances which can be used to estimate some properties of the FCN. Estimations of the parameters describing the FCN (period, Q, and resonance strength) are made using data from individual stations and many stations simultaneously. These yield a result for the period of 423-452 sidereal days, which is shorter than theory predicts but is in agreement with many previous studies and suggests that the dynamical ellipticity of the core may be greater than its hydrostatic value.

Cummins, Phil R.↗
NASA NTRS1994

COMPTEL upper limits on gamma-ray line emission from Supernova 1991T

The imaging Compton telescope COMPTEL on board the Compton Gamma-Ray Observatory (CGRO) measures gamma-rays in the energy range 0.75-30 MeV with an energy resolution of 9.7% full width at half maximum (FWHM) at 1 MeV. From June 15 to 28, 1991 and again from October 3 to 17, 1991 the region containing the supernova SN 1991T was observed. A search for gamma-ray line emission from the supernova yields no detection of line emission from the supernova. 2 sigma upper limits for the two predicted lines at 847 keV and at 1.238 MeV of approximately equal to 3 x 10(exp -5) photons/(sq cm)(s) were derived. These limits are compared with the predictions of some theoretical models and constraints imposed by these limits on these models are discussed.

Lichti, G. G.↗
NASA NTRS1997

Persistent Sub-Yearly Chromospheric Variations in Lower Main-Sequence Stars: Tau Booe and alpha Com

The recent discoveries of extrasolar planetary systems around lower main-sequence stars such as tau Booe (HD 120136) has prompted further investigation into their stellar activity. A cursory analysis of tau Booe for cyclic chromospheric activity, based on its 30-yr record of Ca 2 H and K fluxes obtained as part of the HK Project from Mount Wilson Observatory, finds an intermediate, sub-yearly period (approximately 117 d) in chromospheric activity in addition to, and separate from, both its rotation (3.3 d) and long-term variability. As a persistent subyearly period in surface magnetic activity is unprecedented, we investigate this apparent anomaly further by examining chromospheric activity levels of other stars with similar mass, searching for variability in chromospheric activity with periods of less than one year, but longer than measured or predicted rotation. An examination of the time series of 40 mid-to-late F dwarfs yielded one other star for further analysis: alpha Com (HD 114378, P approximately 132 d). The variations for these two stars were checked for persistence and coherence. Based on these determinations, we eliminate the possibilities of rotation, long-term activity cycle, and the evolution of active regions as the cause of this variation in both stars. In particular, for tau Booe we infer that the phenomenon may be chromospheric in origin; however, beyond this, it is difficult to identify anything further regarding the cause of the activity variations, or even whether the observed modulation in the two stars have the same origin.

Maulik, Davesh↗