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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

Jensen, Per↗
DOE OSTI2024

Permutation-adapted complete and independent basis for atomic cluster expansion descriptors

Atomic cluster expansion (ACE) methods provide a systematic way to describe particle local environments of arbitrary body order. For practical applications it is often required that the basis of cluster functions be symmetrized with respect to rotations and permutations. Existing methodologies yield sets of symmetrized functions that are over-complete. These methodologies thus require an additional numerical procedure, such as singular value decomposition (SVD), to eliminate redundant functions. In this work, it is shown that analytical linear relationships for subsets of cluster functions may be derived using recursion and permutation properties of generalized Wigner symbols. From these relationships, subsets (blocks) of cluster functions can be selected such that, within each block, functions are guaranteed to be linearly independent. It is conjectured that this block-wise independent set of permutation-adapted rotation and permutation invariant (PA-RPI) functions forms a complete, independent basis for ACE. Along with the first analytical proofs of block-wise linear dependence of ACE cluster functions and other theoretical arguments, numerical results are offered to demonstrate this. The utility of the method is demonstrated in the development of an ACE interatomic potential for tantalum. Using the new basis functions in combination with Bayesian compressive sensing sparse regression, some high degree descriptors are observed to persist and help achieve high-accuracy models.

Angular momentum↗
DOE OSTI2019

Surrogate Optimization of Computationally Expensive Black-Box Problems with Hidden Constraints (SHEBO) v1.0

SHEBO (surrogate optimization of problems with hidden constraints and expensive black-box objectives) is an efficient optimization algorithm that employs surrogate models to solve computationally expensive black-box simulation optimization problems that have hidden constraints. Hidden constraints are encountered when the objective function evaluation does not return a value for a parameter vector. These constraints are often encountered in optimization problems in which the objective function is computed by a black-box simulation code. SHEBO uses a combination of local and global search strategies together with an evaluability prediction function and a dynamically adjusted evaluability threshold to iteratively select new sample points.

Mueller, Juliane↗
DOE OSTI2018

Concept of the Complex Bend

Modern synchrotron lattices follow Multi-­Bend Achromat approach and realize low emittance by arranging small horizontal beta-­function and dispersion in the bends. In this paper we propose another optics solution aimed to reach low emittance by using a lattice element that we named as “Complex Bend”. The Complex Bend corresponds to a strong alternate focusing distributed along the bend so to maintain the beta-function and dispersion oscillating at low values. Comprising the ring lattice out of Complex Bends instead of regular dipoles will minimize the Ң-­function and reduce the horizontal emittance while localizing bending to a small fraction of the storage ring circumference. The latter should help to gain more space for Insertion Devices. In the following, we present the concept of Complex Bend, considerations on the choice of its optimal parameters, as well as, thoughts of its practical realization. This paper gives a snapshot where our current studies stand and does not pretend to be a complete description of the Complex Bend engineering design and integration of this element into a specific ring lattice.

36 MATERIALS SCIENCE↗
NASA NTRS1984

On long-term periodicities in the sunspot record

Sunspot records are systematically maintained, with the knowledge that an 11 year average period exists since about 1850. Thus, the sunspot record of highest quality and considered to be the most reliable is that of cycle eight through the present. On the basis of cycles 8 through 20, various combinations of sine curves were used to approximate the observed R sub MAX values (where R sub MAX is the smoothed sunspot number at cycle maximum). It is found that a three component sinusoidal function, having an 11 cycle and a 2 cycle variation on a 90 cycle periodicity, yields computed R sub MAX values which fit, reasonably well, observed R sub MAX values for the modern sunspot cycles. Extrapolation of the empirical functions forward in time allows for the projection of values of R sub MAX for cycles 21 and 22. For cycle 21, the function projects a value of 157.3, very close to the actually observed value of 164.5. For cycle 22, the function projects a value of about 107. Linear regressions applied to cycle 22 indicate a long-period cycle (cycle duration 132 months). An extensive bibliography on techniques used to estimate the time dependent behavior of sunspot cycles is provided.

Wilson, R. M.↗
DOE OSTI2017

Kinetic theory of fermions in curved spacetime

We build a statistical description of fermions, taking into account the spin degree of freedom in addition to the momentum of particles, and we detail its use in the context of the kinetic theory of gases of fermions particles. We show that the one-particle distribution function needed to write a Liouville equation is a spinor valued operator. The degrees of freedom of this function are covariantly described by an intensity function and by a polarisation vector which are parallel transported by free streaming. Collisions are described on the microscopic level and lead to a Boltzmann equation for this operator. We apply our formalism to the case of weak interactions, which at low energies can be considered as a contact interaction between fermions, allowing us to discuss the structure of the collision term for a few typical weak-interaction mediated reactions. In particular we find for massive particles that a dipolar distribution of velocities in the interacting species is necessary to generate linear polarisation, as opposed to the case of photons for which linear polarisation is generated from the quadrupolar distribution of velocities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2022

Regression Bias in using Solar Wind Measurements

Simultaneous solar wind measurements from the solar wind monitors, WIND and ACE, differ due to the spatial and temporal structure of the solar wind. Correlation studies that use these measurements as input may infer an incorrect correlation due to uncertainties arising from this spatial and temporal structure, especially at extreme and rare solar wind values. In particular, regression analysis will lead to a regression function whose slope is biased towards the mean value of the measurement parameter. This article demonstrates this regression bias by comparing simultaneous ACE and WIND solar wind measurements. A non-linear regression analysis between them leads to a perception of underestimation of extreme values of one measurement on average over the other. Using numerical experiments, we show that popular regression analysis techniques such as linear least-squares, orthogonal least-squares, and non-linear regression are not immune to this bias. Hence while using solar wind parameters as an independent variable in a correlation or regression analysis, random uncertainty in the independent variable can create unintended biases in the response of the dependent variable. More generally, the regression to the mean effect can impact both event-based, statistical studies of magnetospheric response to solar wind forcing.

magnetosphere↗
DOE OSTI2018

How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark Values

We present that dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the accuracy of modern density functionals for calculating dipole moments, we have developed a database of 200 benchmark dipole moments, using coupled cluster theory through triple excitations, extrapolated to the complete basis set limit. This new database is used to assess the performance of 88 popular or recently developed density functionals. The results suggest that double hybrid functionals perform the best, yielding dipole moments within about 3.6-4.5% regularized RMS error versus the reference values - which is not very different from the 4% regularized RMS error produced by coupled cluster singles and doubles. Many hybrid functionals also perform quite well, generating regularized RMS errors in the 5-6% range. Lastly, some functionals, however, exhibit large outliers, and local functionals in general perform less well than hybrids or double hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

A Compendium of Wind Statistics and Models for the NASA Space Shuttle and Other Aerospace Vehicle Programs

The wind profile with all of its variations with respect to altitude has been, is now, and will continue to be important for aerospace vehicle design and operations. Wind profile databases and models are used for the vehicle ascent flight design for structural wind loading, flight control systems, performance analysis, and launch operations. This report presents the evolution of wind statistics and wind models from the empirical scalar wind profile model established for the Saturn Program through the development of the vector wind profile model used for the Space Shuttle design to the variations of this wind modeling concept for the X-33 program. Because wind is a vector quantity, the vector wind models use the rigorous mathematical probability properties of the multivariate normal probability distribution. When the vehicle ascent steering commands (ascent guidance) are wind biased to the wind profile measured on the day-of-launch, ascent structural wind loads are reduced and launch probability is increased. This wind load alleviation technique is recommended in the initial phase of vehicle development. The vehicle must fly through the largest load allowable versus altitude to achieve its mission. The Gumbel extreme value probability distribution is used to obtain the probability of exceeding (or not exceeding) the load allowable. The time conditional probability function is derived from the Gumbel bivariate extreme value distribution. This time conditional function is used for calculation of wind loads persistence increments using 3.5-hour Jimsphere wind pairs. These increments are used to protect the commit-to-launch decision. Other topics presented include the Shuttle Shuttle load-response to smoothed wind profiles, a new gust model, and advancements in wind profile measuring systems. From the lessons learned and knowledge gained from past vehicle programs, the development of future launch vehicles can be accelerated. However, new vehicle programs by their very nature will require specialized support for new databases and analyses for wind, atmospheric parameters (pressure, temperature, and density versus altitude), and weather. It is for this reason that project managers are encouraged to collaborate with natural environment specialists early in the conceptual design phase. Such action will give the lead time necessary to meet the natural environment design and operational requirements, and thus, reduce development costs.

Smith, O. E.↗
NASA NTRS1978

On the use of relative velocity exponents for jet engine exhaust noise

The effect of flight on jet engine exhaust noise has often been presented in terms of a relative velocity exponent, n, as a function of radiation angle. The value of n is given by the OASPL reduction due to relative velocity divided by 10 times the logarithm of the ratio of relative jet velocity to absolute jet velocity. It is shown in this paper that the exponent n is positive for pure subsonic jet mixing noise and varies, in a systematic manner, as a function of flight conditions and jet velocity. On the basis of calculations from simple empirical models for jet mixing noise, shock noise and internally-generated noise, it is shown that when other sources are present, the resulting range of n is increased over the range for jet mixing noise, and in some cases negative values of n are obtained.

Stone, J. R.↗
NASA NTRS1976

Norepinephrine turnover in heart and spleen of 7-, 22-, and 34 C-acclimated hamsters

The relationship of norepinephrine (NE) concentration and endogenous turnover rates in both myocardial and spleen tissues in the golden hamster is examined as a function of chronic exposure to either high or low ambient temperatures. Changes in myocardial and spleen NE turnover values are discussed in terms of functional alterations in sympathetic nerve activity and the importance of such changes in temperature acclimation. It is found that acclimation of hamsters to 7 C for 7-10 weeks results in decreased myocardial NE concentration and an apparent increase in myocardial NE turnover. In contrast, exposure to 34 C for 6-8 weeks results in increased myocardial NE concentration and an apparent decrease in NE turnover in both myocardial and spleen tissues. The implication of altered NE synthesis is that sympathetic nerve activity is reduced with heat acclimation and is enhanced with cold acclimation.

Jones, S. B.↗
NASA NTRS1991

Reduced order multirate compensator synthesis

A method for synthesizing reduced-order multirate compensators is presented. Necessary conditions for the compensator parameter values to minimize an infinite-time quadratic cost function are derived. An algorithm for finding compensator parameter values which satisfy the necessary conditions is described. This algorithm is used to design several tip position controllers for a two-link robot arm.

Mason, Gregory S.↗
NASA NTRS1992

Quantitative fluorescence measurements of the OH radical in high pressure methane flames

A method for quantifying laser-induced fluorescence signals from the OH radical in high-pressure flames is presented. The fluorescence signal per unit OH mole fraction is modeled as a function of temperature, pressure, and overall flame stoichiometry. Known values of the collisional quenching cross sections as a function of temperature are used to model the electronic quench rate. The reverse A - X (1.0) Q15 transition is used with broadband collection to measure single-point fluorescence produced by a pulsed Nd:YAG-pumped, frequency-doubled dye laser. Laser absorption and thermocouples are used to measure absolute OH concentration and temperature, respectively, which are used to confirm the validity of the model. Measurements are made in CH4/O2/N2 flames up to 10 atm.

Battles, B. E.↗
NASA NTRS1993

Alternative descriptions of wave and particle aspects of the harmonic oscillator

The dynamical properties of the wave and particle aspects of the harmonic oscillator can be studied with the help of the time-dependent Schroedinger equation (SE). Especially the time-dependence of maximum and width of Gaussian wave packet solutions allow to show the evolution and connections of those two complementary aspects. The investigation of the relations between the equations describing wave and particle aspects leads to an alternative description of the considered systems. This can be achieved by means of a Newtonian equation for a complex variable in connection with a conservation law for a nonclassical angular momentum-type quantity. With the help of this complex variable, it is also possible to develop a Hamiltonian formalism for the wave aspect contained in the SE, which allows to describe the dynamics of the position and momentum uncertainties. In this case the Hamiltonian function is equivalent to the difference between the mean value of the Hamiltonian operator and the classical Hamiltonian function.

Schuch, Dieter↗
DOE OSTI2021

Jet fragmentation transverse momentum distributions in pp and p-Pb collisions at $ \sqrt{s}$, $\sqrt{s_{\mathrm{NN}}}$ = 5.02 TeV

Jet fragmentation transverse momentum ( j T ) distributions are measured in proton-proton (pp) and proton-lead (p-Pb) collisions at s NN = 5 . 02 TeV with the ALICE experiment at the LHC. Jets are reconstructed with the ALICE tracking detectors and electromagnetic calorimeter using the anti- k T algorithm with resolution parameter R = 0 . 4 in the pseudorapidity range |η| < 0 . 25. The j T values are calculated for charged particles inside a fixed cone with a radius R = 0 . 4 around the reconstructed jet axis. The measured j T distributions are compared with a variety of parton-shower models. Herwig and P ythia 8 based models describe the data well for the higher j T region, while they underestimate the lower j T region. The j T distributions are further characterised by fitting them with a function composed of an inverse gamma function for higher j T values (called the “wide component”), related to the perturbative component of the fragmentation process, and with a Gaussian for lower j T values (called the “narrow component”), predominantly connected to the hadronisation process. The width of the Gaussian has only a weak dependence on jet transverse momentum, while that of the inverse gamma function increases with increasing jet transverse momentum. For the narrow component, the measured trends are successfully described by all models except for Herwig. For the wide component, Herwig and PYTHIA 8 based models slightly underestimate the data for the higher jet transverse momentum region. These measurements set constraints on models of jet fragmentation and hadronisation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

A new algorithm for L2 optimal model reduction

In this paper the quadratically optimal model reduction problem for single-input, single-output systems is considered. The reduced order model is determined by minimizing the integral of the magnitude-squared of the transfer function error. It is shown that the numerator coefficients of the optimal approximant satisfy a weighted least squares problem and, on this basis, a two-step iterative algorithm is developed combining a least squares solver with a gradient minimizer. Convergence of the proposed algorithm to stationary values of the quadratic cost function is proved. The formulation is extended to handle the frequency-weighted optimal model reduction problem. Three examples demonstrate the optimization algorithm.

Spanos, J. T.↗
NASA NTRS1997

Characterizing Hyperspectral Imagery (AVIRIS) Using Fractal Technique

With the rapid increase in hyperspectral data acquired by various experimental hyperspectral imaging sensors, it is necessary to develop efficient and innovative tools to handle and analyze these data. The objective of this study is to seek effective spatial analytical tools for summarizing the spatial patterns of hyperspectral imaging data. In this paper, we (1) examine how fractal dimension D changes across spectral bands of hyperspectral imaging data and (2) determine the relationships between fractal dimension and image content. It has been documented that fractal dimension changes across spectral bands for the Landsat-TM data and its value [(D)] is largely a function of the complexity of the landscape under study. The newly available hyperspectral imaging data such as that from the Airborne Visible Infrared Imaging Spectrometer (AVIRIS) which has 224 bands, covers a wider spectral range with a much finer spectral resolution. Our preliminary result shows that fractal dimension values of AVIRIS scenes from the Santa Monica Mountains in California vary between 2.25 and 2.99. However, high fractal dimension values (D > 2.8) are found only from spectral bands with high noise level and bands with good image quality have a fairly stable dimension value (D = 2.5 - 2.6). This suggests that D can also be used as a summary statistics to represent the image quality or content of spectral bands.

Qiu, Hong-Lie↗