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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

PIP-II LLRF Master Oscillator and Precision Reference Line- Station Level Design and Testing

The PIP-II superconducting linac at Fermilab requires a highly stable RF Reference Line to maintain phase synchronization throughout the accelerator. Temperature-induced changes in the electrical length of long coaxial cables can introduce phase drift and measurement errors. The reference-line architecture mitigates these effects by phase averaging the forward and reflected RF signals, while a phase-locked loop anchors the system to the master oscillator. This work focuses on the characterization, validation, and mechanical integration of station-level RF assemblies using CAD modeling, vector network analyzer measurements, and spectrum analyzer testing. PID-controlled thermal plates will stabilize critical RF components and further reduce temperature-dependent phase and amplitude variations. These methods support repeatable, standardized designs that can be reliably integrated across the different reference-line stations.

Mosher, Alexander [U. Illinois, Chicago; Fermilab]↗
NASA NTRS1986

Evaluation of a multivariate variational assimilation of conventional and satellite data for the diagnosis of cyclone systems

A variational data assimilation method for the study of cyclone-scale weather systems is described. The variational data assimilation method is to incorporate primitive equations for a moist, convectively unstable atmosphere and the radiative transfer equation. The variables to be adjusted include the three-dimensional vector wind, height, temperature, and moisture from rawinsonde data, and cloud-wind vectors, moisture, and radiance from satellite data. The development of variational model 1 which contains two nonlinear horizontal momentum equations, an integrated continuity equation, and a hydrostatic equation is examined. Examples applying the assimilation model to rawinsonde and satellite data are presented.

Achtemeier, Gary L.↗
NASA NTRS1972

Interplanetary Trajectories, Encke Method (ITEM)

Modified program has been developed using improved variation of Encke method which avoids accumulation of round-off errors and avoids numerical ambiguities arising from near-circular orbits of low inclination. Variety of interplanetary trajectory problems can be computed with maximum accuracy and efficiency.

Whitlock, F. H.↗
DOE OSTI2021

A nodal transport method for coupled fast-thermal reactor analysis

We report that for efficient core analyses of coupled fast-thermal reactors, a new deterministic method has been developed based on the variational nodal transport method of VARIANT. A new multigroup cross section generation procedure was devised by combining Monte Carlo lattice calculations for thermal assemblies and the two-step procedure of the MC 2 -3 code for fast assemblies. To reduce assembly homogenization errors in nodal transport calculations, a new nodal equivalence method was developed based on the partial current discontinuity factor (PCDF) and incorporated in VARIANT. A practical procedure to calculate PCDFs with fixed source supercell calculations was also devised. The performance of the proposed method was investigated using a test problem derived from the versatile coupled test reactor (VCTR) design. The new procedure produced multigroup cross sections accurately for all assemblies. VARIANT transport calculations with PCDFs produced accurate multiplication factor and power distribution compared to reference Serpent-2 Monte Carlo solutions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1974

A unified approach for the application of general perturbation theories to the artificial satellite problem

An Encke-type method is developed as well as a variation of parameters method, both of which use a non-Keplerian reference orbit. The regularized time is used in the numerical integration and the optimum value of n is found for each type of orbit investigated. Accuracy and computation time comparisons are made with a classical Cowell method. It should be noted that the element formulations developed and tested were found to be exceptionally numerically stable in the sense that it was possible to achieve numerical consistency order of very long integration periods - a property not available with the Cowell formulation - and therefore these formulations may be helpful for high precision calculations.

Alfriend, K. T.↗
NASA NTRS1983

Grid spacing control with variation diminishing splines

Methods used to specify and control two and three dimensional grids on which numerical solutions of partial differential equations may be obtained were studied. While initially focusing on grid generation, the research will evolve into a consideration of the interaction of grid generation with the solution of a partial differential equation. The multisurface method of grid generation was used to continuously patch a grid onto an existing grid. In the resulting grid the elements of the Jacobian matrix must be continuous across the boundary between the original grid and the patched grid. Programs were written which accept as input the coordinates of the original grid and the desired new boundary, and then use the three-surface or four-surface version of the multisurface method to extend the original grid out to a new boundary.

Smith, P. W.↗
NASA NTRSDate not supplied

Additional Trials & Tribulations in Synthesizing a Sulfide Standard

Well-characterized sulfide reference materials that can serve as matrix-matched calibrants for in-situ trace element analyses via laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) remain elusive. Here, we describe the creation an in-house sulfide standard at NASA JSC that will be used to measure siderophile and chalcophile trace elements in low pressure experimental products, specifically pentlandite ([FeNi]9S8) and pyrrhotite ([FeNi]1-xS), as well as natural sulfides in terrestrial and meteoritic mineral assemblages. Recent methods in creating a homogenous sulfide standard include pressed pellets, synthesized chips, or fused glass [e.g. 1-3]. Other studies, however, have had success in forming homogenous FeS standards via synthesization methods [e.g. 4-6]. We present a variation of the method described in [4], in which we create a pyrrhotite standard doped with a variety of trace elements (Zn, As, Se, Mo, Ru, Rh, Pd, Sn, Sb, Te, W, Os, Ir, Pt, Au) at ~10-40 ppm and Cu at ~200 ppm. Sulfide compositions were constructed using Fe and Ni metal and elemental sulfur powders. Trace elements were added to elemental sulfur from Atomic Absorption Spectroscopy (AAS) elemental standards as either nitrate or chloride solutions to prevent oxidation of the metal powders. The dried sulfur mixture was mixed with Fe and Ni powders and mechanically mixed before two aliquots were placed in separate SiO2 tubes. Each tube was held under vacuum for ~30 minutes, sealed under vacuum, and then heated at 800C for 48 hours. Like [4], the synthesis products were composed of pourous sulfide crystals. Major element analyses of both experimental aliquots, collected using an Electron Probe Microanalyser (EPMA), yield indistinguishable major element compositions (uncertainties in 2SE & 2RSE[%]), with an average of 57.90  0.09 (0.16 %), 4.95  0.03 (0.55 %), and 39.70  0.14 (0.34 %), for Fe, Ni, and S, respectively. Trace element data were measured using a Photon Machines 193nm laser ablation system coupled to a Thermo-Scientific Element-XR ICP-MS. Spot sizes were limited to 50 μm due to the porous nature of the sulfide target material. Trace element abundances, normalized to Fe as an internal standard, were also found to be homogenous between the two aliquots, with weighted mean 2RSE (%) values of <3.0 for all trace elements. Synthesized products were re-powdered and absolute concentrations measured via solution ICP-MS. Although the sulfide appears to be homogenous, sintering experiments will be performed to more closely match the standard density to natural sulfides and minimize differences in ablation behavior. Improved density also allows for higher sensitivity (i.e. more compact target material) and larger spot sizes or traverses, as void space is eliminated. Additional major and trace element analyses on the products of the sintering experiments will be undertaken.

Jacob B Setera↗
NASA NTRS2014

D-Wave Electron-H, -He+, and -Li2+ Elastic Scattering and Photoabsorption in P States of Two-Electron Systems

In previous papers [A. K. Bhatia, Phys. Rev. A 85, 052708 (2012); 86, 032709 (2012); 87, 042705 (2013)] electron-H, -He+, and -Li2+ P-wave scattering phase shifts were calculated using the variational polarized orbital theory. This method is now extended to the singlet and triplet D-wave scattering in the elastic region. The long-range correlations are included in the Schrodinger equation by using the method of polarized orbitals variationally. Phase shifts are compared to those obtained by other methods. The present calculation provides results which are rigorous lower bonds to the exact phase shifts. Using the presently calculated D-wave and previously calculated S-wave continuum functions, photoionization of singlet and triplet P states of He and Li+ are also calculated, along with the radiative recombination rate coefficients at various electron temperatures.

D-wave↗
DOE OSTI2025

An improved guess for the variational calculation of charge-transfer excitations in large systems

Ab initio quantum-chemical methods that perform well for computing the electronic ground state are not straightforwardly transferable to electronically excited states, particularly in large molecular systems. Wave function theory offers high accuracy, but is often prohibitively expensive. Methods based on time-dependent density functional theory (TD-DFT) are crucially sensitive to the chosen exchange-correlation functional (XCF) parameterization, and system-specific tuning protocols were therefore proposed to address the method's robustness. Methods based on the variational relaxation of the excited-state electron density showcased promising results for the calculation of charge-transfer excitations, but the complex shape of the electronic hypersurface makes convergence to a specific excited state much more difficult than for the ground state when standard variational techniques are applied. We address the latter aspect by providing suitable initial guesses, which we obtain by two separate constrained algorithms. Combined with the squared-gradient minimization algorithm for all-electrons relaxation in a freeze-and-release scheme (FRZ-SGM), we demonstrate that orbital-optimized density functional theory (OO-DFT) calculations can reliably converge to the charge-transfer states of interest even for large molecular systems. We test the FRZ-SGM method on a phenothiazine-anthraquinone CT excitation in a supramolecular Pd(II) coordination cage complex as a function of the cage conformation. This compound has been studied experimentally prior to our work. We compare this freeze-and-release scheme to two XCF reparameterizations, which were recently proposed as low-cost TD-DFT-based alternatives to variational methods. Two dye-semiconductor complexes, which were previously investigated in the context of photovoltaic applications, serve as a second example to investigate the convergence and stability of the FRZ-SGM approach. Our results demonstrate that FRZ-SGM provides reliable convergence for charge-transfer excited states and avoids variational collapse to lower-lying electronic states, whereas time-dependent DFT calculations with an adequate tuning procedure for the range-separation parameter provide a computationally efficient initial estimate of the corresponding energies, with a computational cost comparable to that of configuration-interaction singles (CIS) calculations.

Bogo, Nicola↗
DOE OSTI2022

Marginal unbiased score expansion and application to CMB lensing

Here, we present the marginal unbiased score expansion (MUSE) method, an algorithm for generic high-dimensional hierarchical Bayesian inference. MUSE performs approximate marginalization over arbitrary non-Gaussian latent parameter spaces, yielding Gaussianized asymptotically unbiased and near-optimal constraints on global parameters of interest. It is computationally much cheaper than exact alternatives like Hamiltonian Monte Carlo (HMC), excelling on funnel problems which challenge HMC, and does not require any problem-specific user supervision like other approximate methods such as variational inference or many simulation-based inference methods. MUSE makes possible the first joint Bayesian estimation of the delensed Cosmic Microwave Background (CMB) power spectrum and gravitational lensing potential power spectrum, demonstrated here on a simulated data set as large as the upcoming South Pole Telescope 3G 1500 deg 2 survey, corresponding to a latent dimensionality of ~6 million and of order 100 global bandpower parameters. On a subset of the problem where an exact but more expensive HMC solution is feasible, we verify that MUSE yields nearly optimal results. We also demonstrate that existing spectrum-based forecasting tools which ignore pixel-masking underestimate predicted error bars by only ~10%. This method is a promising path forward for fast lensing and delensing analyses which will be necessary for future CMB experiments such as SPT-3G, Simons Observatory, or CMB-S4, and can complement or supersede existing HMC approaches. The success of MUSE on this challenging problem strengthens its case as a generic procedure for a broad class of high-dimensional inference problems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1978

Seasonal variation of the vertical distribution of stratospheric ozone as observed with the Umkehr and BUV methods

Month-to-month variations evidenced by ozone profiles inferred from the classical Umkehr observations and from the back-scattered ultraviolet (BUV) satellite observations made from the Nimbus 4 satellite are examined. Upper stratospheric ozone profiles derived from BUV and Umkehr data display similar seasonal variations of about the same phase and magnitude for the 38 km to 50 km region. Between 28 km and 38 km, the seasonal variations are less marked, but the same rough picture emerges for both data sets. If both data sets indicate an increasing (or decreasing) trend over a period of years, it is not possible to conclude that a trend exists unless separate means exists for monitoring stratospheric dust. Because of the stratosphere well above the Junge layer seems less likely to be affected by volcanic debris, BUV data should be superior to Umkehr data for monitoring trends in the 38 km to 50 km range, provided that the calibration problems of flying such a monitoring instrument in space can be overcome.

Mateer, C. L.↗
DOE OSTI2023

Optimizing training trajectories in variational autoencoders via latent Bayesian optimization approach *

Unsupervised and semi-supervised ML methods such as variational autoencoders (VAE) have become widely adopted across multiple areas of physics, chemistry, and materials sciences due to their capability in disentangling representations and ability to find latent manifolds for classification and/or regression of complex experimental data. Like other ML problems, VAEs require hyperparameter tuning, e.g. balancing the Kullback–Leibler and reconstruction terms. However, the training process and resulting manifold topology and connectivity depend not only on hyperparameters, but also their evolution during training. Because of the inefficiency of exhaustive search in a high-dimensional hyperparameter space for the expensive-to-train models, here we have explored a latent Bayesian optimization (zBO) approach for the hyperparameter trajectory optimization for the unsupervised and semi-supervised ML and demonstrated for joint-VAE with rotational invariances. We have demonstrated an application of this method for finding joint discrete and continuous rotationally invariant representations for modified national institute of standards and technology database (MNIST) and experimental data of a plasmonic nanoparticles material system. The performance of the proposed approach has been discussed extensively, where it allows for any high dimensional hyperparameter trajectory optimization of other ML models.

42 ENGINEERING↗
NASA NTRS1978

Drive train dynamic analysis

A method for parametric variations in drive train dynamic analysis is described. The method models the individual components of a drive system, forms the appropriate system interface coordinates and, calculates the system dynamic response at particular frequencies. Application of the method for prediction of the dynamic response characteristics of a helicopter transmission, and a comparison of results with test data are also included.

Giansante, N.↗
NASA NTRS1986

On the Maxwellian distribution, symmetric form, and entropy conservation for the Euler equations

The Euler equations of gas dynamics have some very interesting properties in that the flux vector is a homogeneous function of the unknowns and the equations can be cast in symmetric hyperbolic form and satisfy the entropy conservation. The Euler equations are the moments of the Boltzmann equation of the kinetic theory of gases when the velocity distribution function is a Maxwellian. The present paper shows the relationship between the symmetrizability and the Maxwellian velocity distribution. The entropy conservation is in terms of the H-function, which is a slight modification of the H-function first introduced by Boltzmann in his famous H-theorem. In view of the H-theorem, it is suggested that the development of total H-diminishing (THD) numerical methods may be more profitable than the usual total variation diminishing (TVD) methods for obtaining wiggle-free solutions.

Deshpande, S. M.↗
NASA NTRS2019

Elemental Variation and Petrogenesis of Pyroxenes in HED Meteorites by Multivariable Discriminant Analysis Method

HED (Howardite, Eucrite and Diogenite) are meteorites with mafic and ultramafic igneous composition. Previous studies suggested HED came from asteroid (4) Vesta and they were generated by magmatic melting followed by differentiation crystallization, metamorphic, and impact. Uniform oxygen isotopic composition of HED samples favors global magma ocean for (4) Vesta. However, the petrological diversity of HED may indicate more complex magma processes in the meteorites. In general, most of the geochemical studies are using traditional methods (e.g. element to element or ratio to ratio plots) to classify the different rock type and groups. With the traditional methods, only limited elements can be shown in a figure. As such, some meteorites may have been identified as HED by a traditional method but found different either in isotopic composition or other elemental characteristic. These anomalous HED meteorites may or may not come from asteroid (4) Vesta. In fact, magma is a unit system where any elemental change should affect to all other elements as a whole, it would be reasonable to consider all elements together to look for the systematical changes. Using multivariable discriminant analysis (MDA) method is one of such testing for their geochemical variation. The method may be able to help us to better understand the petrologic processes and the relationship among elements. This study is to test the MDA method by focus mainly on pyroxene composition of eucrite and diogenite.

Peng, Z. X.↗
NASA NTRS1985

Color measurement and discrimination

Theories of color measurement attempt to provide a quantative means for predicting whether two lights will be discriminable to an average observer. All color measurement theories can be characterized as follows: suppose lights a and b evoke responses from three color channels characterized as vectors, v(a) and v(b); the vector difference v(a) - v(b) corresponds to a set of channel responses that would be generated by some real light, call it *. According to theory a and b will be discriminable when * is detectable. A detailed development and test of the classic color measurement approach are reported. In the absence of a luminance component in the test stimuli, a and b, the theory holds well. In the presence of a luminance component, the theory is clearly false. When a luminance component is present discrimination judgements depend largely on whether the lights being discriminated fall in separate, categorical regions of color space. The results suggest that sensory estimation of surface color uses different methods, and the choice of method depends upon properties of the image. When there is significant luminance variation a categorical method is used, while in the absence of significant luminance variation judgments are continuous and consistant with the measurement approach.

Wandell, B. A.↗
DOE OSTI2021

Scalable Programming Workflows for Validation of Quantum Computers

Hybrid quantum-classical workflows have become standard methods for executing variational algorithms and other quantum simulation techniques, which are key applications for noisy intermediate scale quantum (NISQ) computers. Validating these simulations is an important task which helps gauge the progress of quantum computer development, and classical simulation can serve as a tool to this end. Both exact and more scalable approximate methods with quantifiable error bounds can be used in validation tasks where the applicable metrics include the distance from a calculable ground truth, the quality of an error model fit to data, etc. Here we present a library extension that includes methods for validation of quantum simulations based on scalable hybrid workflows executable on high performance computers. We provide examples that use approximate methods based on tensor networks and stabilizer simulators to bound the error of quantum simulations on NISQ hardware.

Nguyen, Thien↗