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NASA NTRS1971

A method for nonlinear exponential regression analysis

A computer-oriented technique is presented for performing a nonlinear exponential regression analysis on decay-type experimental data. The technique involves the least squares procedure wherein the nonlinear problem is linearized by expansion in a Taylor series. A linear curve fitting procedure for determining the initial nominal estimates for the unknown exponential model parameters is included as an integral part of the technique. A correction matrix was derived and then applied to the nominal estimate to produce an improved set of model parameters. The solution cycle is repeated until some predetermined criterion is satisfied.

Junkin, B. G.↗

NASA NTRS1993

Computational techniques for high-speed flows with viscous and chemical effects

Algorithms for solving the Euler and the Navier-Stokes equations in conjunction with chemical kinetic equations are presented. The convective flux is estimated from a quasi one dimensional interpolation procedure. Shock, contact, and expansion waves and thermochemical nonequilibrium phenomena are captured by the Lax-Friedrichs technique. Relaxation techniques were developed to enhance their effectiveness in dealing with spatial and temporal stiffness associated with the physical problems. Both explicit and implicit smoothers were implemented into the standard multigrid time stepping method. Unsteady and steady scalar problems are discussed. A perfect gas and equilibrium air shock tube problem is investigated. Numerical schemes and techniques are compared for the problems of shock and boundary layer interaction and three dimensional viscous, nonequilibrium flow encompassing an aerobrake. The results are comparable in accuracy against other high order non-oscillatory techniques. The multigrid methods are assessed using a Mach 8 flow over a complete planar body, a sphere, and a blunt delta wing at 20 deg incidence. Applying an implicit multigrid method on a nested grid of 128 by 64 nodes the reduction factor is 0.25. The central processing unit reduction factor is 2.2 after both the single and multigrid Runge-Kutta solutions converged to machine zero on a grid of 37 by 41 by 73 nodes.

Li, C. P.↗

NASA NTRS1984

A spectral element method for fluid dynamics - Laminar flow in a channel expansion

A spectral element method that combines the generality of the finite element method with the accuracy of spectral techniques is proposed for the numerical solution of the incompressible Navier-Stokes equations. In the spectral element discretization, the computational domain is broken into a series of elements, and the velocity in each element is represented as a high-order Lagrangian interpolant through Chebyshev collocation points. The hyperbolic piece of the governing equations is then treated with an explicit collocation scheme, while the pressure and viscous contributions are treated implicitly with a projection operator derived from a variational principle. The implementation of the technique is demonstrated on a one-dimensional inflow-outflow advection-diffusion equation, and the method is then applied to laminar two-dimensional (separated) flow in a channel expansion. Comparisons are made with experiment and previous numerical work.

Patera, A. T.↗

DOE OSTI2021

Methods for Representing Flexible, Energy-Constrained Technologies in Utility Planning Tools

Capacity expansion models are widely used by power system researchers, planners, and policy analysts to evaluate alternative power system investment scenarios. With the increasing deployment of wind and solar in the US, there has been much focus on improving the representations of variable generation (VG) technologies within capacity expansion models. Models that capture the variable net-load profiles and larger reserve requirements associated with high penetration VG systems represent an improvement to classic capacity expansion models, but fall short of capturing the complexities associated with storage technologies, such as battery energy storage (BES) and concentrating solar power with thermal energy storage (CSP with TES). While difficult to model in a capacity expansion setting, these technologies are potentially competitive sources of flexibility with the intriguing characteristics of being able to absorb VG that would otherwise be curtailed and directly contribute to renewable energy goals, respectively. In this paper we present methods for accurately representing these technologies in a large-scale capacity expansion model with high electrical and geospatial resolution. VG modeling techniques, including novel methods for capturing curtailment due to unit commitment and other hourly dispatch phenomena, are also reviewed. Modeling for a region in the southwestern United States demonstrates the economic relevance of being able to explicitly trade off the costs and capabilities of energy-constrained technologies, especially BES, against other resources in the near-term, in time to make plans for the coming decade

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Broadband Rotational Spectroscopy in Uniform Supersonic Flows: Chirped Pulse/Uniform Flow for Reaction Dynamics and Low Temperature Kinetics

ConspectusThe study of gas-phase chemical reactions at very low temperatures first became possible with the development and implementation of the CRESU (French acronym for Reaction Kinetics in Uniform Supersonic Flows) technique. CRESU relies on a uniform supersonic flow produced by expansion of a gas through a Laval (convergent-divergent) nozzle to produce a wall-less reactor at temperatures from 10 to 200 K and densities of 1016-1018 cm-3 for the study of low temperature kinetics, with particular application to astrochemistry. In recent years, we have combined uniform flows with revolutionary advances in broadband rotational spectroscopy to yield an instrument that affords near-universal detection for novel applications in photodissociation, reaction dynamics, and kinetics. This combination of uniform supersonic flows with chirped-pulse Fourier-transform microwave spectroscopy (Chirped-Pulse/Uniform Flow, CPUF) permits detection of any species with a modest dipole moment, thermalized to the uniform temperature of the gas flow, with isomer, conformer, and vibrational state specificity. In addition, the use of broadband, high-resolution, and time-dependent (microsecond time scale) micro- and mm-wave spectroscopy makes it an ideal tool for characterizing both transient and stable molecules, as well as studying their spectroscopy and dynamics.In this Account, we review recent advances made using the CPUF technique, including studies of photodissociation, radical-radical reaction dynamics, and low temperature kinetics. These studies highlight both the strength of universal and multiplexed detection and the challenges of coupling it to a high-density collisional environment. Product branching and product evolution as a function of time have been measured for astrochemically relevant systems, relying on the detailed characterization of these flow conditions via experiments and fluid dynamics simulations. In the photodissociation of isoxazole, an unusual heterocyclic molecule with a very low-energy conical intersection, we have identified 7 products in 5 reaction channels and determined the product branching, pointing to both direct and indirect pathways. We have also approached the same system from separated NO and C3H3 reactants to explore a broader range of the potential energy surface, demonstrating the power of multichannel branching measurements for complex radical-radical reactions. We determined the product branching in the C3H2 isomers in the photodissociation of the propargyl radical and identified the importance of a hydrogen atom catalyzed isomerization to the lowest energy cyclic form. This then motivated a study of direct D-H exchange reaction in radicals, in which we demonstrate that it is an important and overlooked pathway for deuterium fractionation in astrochemical environments. Recently, we have shown the measurement of low temperature kinetics inside an extended Laval nozzle, after which a shock-free secondary expansion to low temperature and density affords an ideal environment for detection by rotational spectroscopy. These results highlight the power and potential of the CPUF approach, and future prospects will also be discussed in light of these developments.

Dias, Nureshan↗

DOE OSTI2021

Thermal Property Characterization of Molten Salt Reactor–Relevant Salts

The thermochemical and thermophysical properties of molten salt systems are necessary input for the design, licensing, and deployment of molten salt reactor concepts. The thermochemical and thermophysical property measurement capabilities being used and developed at Oak Ridge National Laboratory (ORNL) include liquid density, volumetric thermal expansion, viscosity, vapor pressure, phase behavior, and heat capacity and thermal conductivity measurement capabilities. Properties of eutectic LiF-NaF-KF (FLiNaK) and NaCl-KCl are being measured to validate the measurement techniques to be used to provide data to reactor developers and to better quantify the uncertainty of measurements. This report summarizes the status of thermal conductivity, viscosity, specific heat capacity, and density. A method for property estimation using Redlich Kister expansion is also described. This technique will be used to help validate measured properties and to guide future experiments by targeting mixtures or components for which data are uncertain or lacking.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1985

Derivation and test of elevated temperature thermal-stress-free fastener concept

Future aerospace vehicles must withstand high temperatures and be able to function over a wide temperature range. New composite materials are being developed for use in designing high-temperature lightweight structures. Due to the difference between coefficients of thermal expansion for the new composite materials and conventional high-temperature metallic fasteners, innovative joining techniques are needed to produce tight joints at all temperatures without excessive thermal stresses. A thermal-stress-free fastening technique is presented that can be used to provide structurally tight joints at all temperatures even when the fastener and joined materials have different coefficients of thermal expansion. The derivation of thermal-stress-free fasteners and joint shapes is presented for a wide variety of fastener materials and materials being joined together. Approximations to the thermal-stress-free shapes that result in joints with low-thermal-stresses and that simplify the fastener/joint shape are discussed. The low-thermal-stress fastener concept is verified by thermal and shear tests in joints using oxide-dispersion-strengthened alloy fasteners in carbon-carbon material. The test results show no evidence of thermal stress damage for temperatures up to 2000 F and the resulting joints carried shear loads at room temperature typical of those for conventional joints.

Sawyer, J. W.↗

DOE OSTI2021

Multiscale operando X-ray investigations provide insights into electro-chemo-mechanical behavior of lithium intercalation cathodes

The electrochemical performance and cycle life of lithium-ion batteries (LIBs) depend on the electrochemical, chemical, and mechanical behavior of electrodes and electrolytes. Despite extensive studies conducted previously, challenges exist to decouple these behaviors, capture the evolution of electro-chemo-mechanical behavior in realistic conditions, and correlate atomic-scale stress evolution to micro-scale bulk mechanical degradation. Here, we report multiscale operando techniques to investigate polydisperse battery electrodes by integrating volume-averaged quantitative synchrotron X-ray scattering with high-resolution transmission X-ray microscopy (TXM). The former provides us information spanning a wide spatial range, from Angstrom-level atomic structures to micrometer-level particle scales, while the latter provides time-resolved 2D images of the particles during cycling. The complementarity of the two operando techniques is demonstrated by an over-lithiation test of LiCoO 2 electrodes, where particles crack and eventually pulverize. Additionally, the techniques are applied to study LiCoO 2 cycling stability from 3.0 V to 4.5 V. Operando X-ray scattering result shows nanometer-scale features keep forming in LiCoO 2 electrodes during cycling, resulting in an increased projected area observed by the TXM experiment. The formation of such features is inhibited by a polymer coating on the electrode, leading to vastly improved cycling stability. The polymer coating alleviates LiCoO 2 surface deterioration, reduces side product generation, and inhibits LiCoO 2 particles volume expansion during the cycling test. These operando multimodal X-ray techniques presented herein thus offer a novel, multiscale diagnostic modality for studying existing and emerging battery materials, aiding the development of next-generation LIBs.

25 ENERGY STORAGE↗

NASA NTRS1981

Expansion of the nickel electrode

To observe a reasonable amount of expansion, months or years in acutal batteries are required. Therefore, the technique of electrode bending was developed. Active material is taken off a sample electrode on one side, and left only on the other side with a cadmium counter electrode. With this configuration, if the active material expands, the electrode will bend convex - concave towards this direction. This very small bending may be easily detected with light deflection. A laser beam was used to project it on the screen through a mirror attached on the electrode, thus making a very sensitive measurement of a very small expansion.

Lim, H. S.↗

DOE OSTI2022

Application of the Redlich-Kister expansion for estimating the density of molten fluoride psuedo-ternary salt systems of nuclear industry interest

The development of next-generation molten salt reactors relies on accurate knowledge of the thermophysical properties of the candidate coolant and fueled molten salts. These thermophysical properties include density, viscosity, thermal conductivity, and heat capacity. Because of difficulties in measuring thermophysical properties of molten salts, there are many gaps in the current state of thermophysical property knowledge of these salts, particularly those that contain actinides or beryllium. Therefore, leveraging modeling techniques to estimate unknown molten salt thermophysical properties and guide future experimental measurements has high value for the nuclear industry. Here, the densities of molten fluoride pseudo-ternary salt systems, which are of interest to the nuclear industry, were estimated using Redlich-Kister expansion and Muggianu interpolation techniques. The pseudo-ternary systems considered for estimation in this study were NaF-LiF-ZrF 4 , LiF-BeF 2 -ZrF 4 , LiF-BeF 2 -ThF 4 , NaF-LiF-BeF 2 , NaF-KF-BeF 2 , NaF-ZrF 4 -UF 4 , and NaF-BeF 2 -UF 4 . This Redlich-Kister estimation approach accounts for nonideal mixing behavior based on pseudo-binary subsystem interaction parameters determined from experimentally measured pseudo-binary system density data sets. The Redlich-Kister estimation was compared with the method of additive molar volumes, which assumes ideal mixing. Additionally, the Redlich-Kister approach was used to determine previously unknown binary and ternary interaction parameters based on experimentally measured density data sets for select pseudo-ternary salt systems. The results of this study show improvement in density estimation using the Redlich-Kister approach for all systems considered compared with estimation by additive molar volumes. Furthermore, this analysis allowed for the estimation of nonideal density behavior in experimentally unstudied ZrF 4 -UF 4 and BeF 2 -UF 4 , as well as the quantification of ternary interaction in NaF-LiF-ZrF 4 , NaF-BeF 2 -UF 4 , and NaF-ZrF 4 -UF 4 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

Stress-derivative control of keystoning deformation in finite element codes

The stress derivative technique for control of keystoning deformation in under-integrated finte elements is based on expansion of the stress in a Taylor series about the element center and retention of additional terms beyond the constant stress term. It has the advantage over other control techniques that keystoning resistance is provided by actual rather than artificial material properties. Application of this technique to the quadrilateral ring elements used for modelling solids of revolution subjected to axisymmetric loads is described. In a cylindrical coordinate system additional terms appear in the formulation which must be dealt with in arriving at a workable keystoning control scheme.

Schulz, J. C.↗

DOE OSTI2020

Testing the 10 spectrograph units for DESI: approach and results

The recently commissioned Dark Energy Spectroscopic Instrument (DESI) will measure the expansion history of the Universe using the Baryon Acoustic Oscillation technique. The spectra of 35 million galaxies and quasars over 14000 sqdeg will be measured during the life of the experiment. A new prime focus corrector for the KPNO Mayall telescope delivers light to 5000 fiber optic positioners. The fibers in turn feed ten broad-band spectrographs. A consortium of Aix-Marseille University (AMU) and CNRS laboratories (LAM, OHP and CPPM) together with LPNHE (CNRS, IN2P3, Sorbonne Université and Université de Paris) and the WINLIGHT Systems company based in Pertuis (France), were in charge of integrating and validating the performance requirements of the ten full spectrographs, equipped with their cryostats, shutters and other mechanisms. We present a summary of our activity which allowed an efficient validation of the systems in a short-time schedule. We detail the main results. We emphasize the benefits of our approach and also its limitations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

The Spectroscopic Data Processing Pipeline for the Dark Energy Spectroscopic Instrument

Abstract We describe the spectroscopic data processing pipeline of the Dark Energy Spectroscopic Instrument (DESI), which is conducting a redshift survey of about 40 million galaxies and quasars using a purpose-built instrument on the 4 m Mayall Telescope at Kitt Peak National Observatory. The main goal of DESI is to measure with unprecedented precision the expansion history of the universe with the baryon acoustic oscillation technique and the growth rate of structure with redshift space distortions. Ten spectrographs with three cameras each disperse the light from 5000 fibers onto 30 CCDs, covering the near-UV to near-infrared (3600–9800 Å) with a spectral resolution ranging from 2000 to 5000. The DESI data pipeline generates wavelength- and flux-calibrated spectra of all the targets, along with spectroscopic classifications and redshift measurements. Fully processed data from each night are typically available to the DESI collaboration the following morning. We give details about the pipeline’s algorithms, and provide performance results on the stability of the optics, the quality of the sky background subtraction, and the precision and accuracy of the instrumental calibration. This pipeline has been used to process the DESI Survey Validation data set, and has exceeded the project’s requirements for redshift performance, with high efficiency and a purity greater than 99% for all target classes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Geopotential representation with sampling functions.

Satellite-to-ocean altitudes measured to meter accuracy eventually can yield a geoid representation with significant short-wavelength structure over ocean areas. To cope conveniently with this expected detail, one suggested analytical technique would represent the geopotential or the geoid as an expansion in sampling functions that are linear combinations of spherical harmonics. Each of the sampling functions makes its principal contribution to the geopotential in a single geographical region. For a representation truncated after degree N, there are (N + 1) squared such functions associated with a like number of points distributed nearly regularly on the globe. The features of this geopotential representation can be illustrated by considering the case N = 22, for which an expansion in sampling functions can be produced that is equivalent to the geopotential of the 1969 Smithsonian standard earth.

Lundquist, C. A.↗

NASA NTRS1975

Crossflow in two-dimensional asymmetric nozzles

An experimental investigation of the crossflow effects in three contoured, two-dimensional asymmetric nozzles is described. The data were compared with theoretical predictions of nozzle flow by using an inviscid method of characteristics solution and two-dimensional turbulent boundary-layer calculations. The effect of crossflow as a function of the nozzle maximum expansion angle was studied by use of oil-flow techniques, static wall-pressure measurements, and impact-pressure surveys at the nozzle exit. Reynolds number effects on crossflow were investigated.

Sebacher, D. I.↗

NASA NTRS1982

A facility for the simulation of low orbit atmospheric oxygen bombardment

A molecular beam facility to simulate the space environment of a spacecraft at low orbit was designed with the intent of studying the effect on the properties of optical elements of oxygen atoms impacting at orbital velocity. The four-stage differentially pumped molecular beam facility includes a variety of oxygen atom beam sources which cover a wide range of velocities (1 km/sec to approximately 8 km/sec), in addition to the ultra-clean experimental environmental of an ultra-high vacuum chamber and an optical diagnostic set-up. The primary oxygen atom beam source used to obtain the 8 km/sec O atoms is an arc heated source. It consists of a modified commercially available plasma torch. The modifications include attachments which provide for a nozzle which is used to expand the atomic beam into the vacuum system, and exhaust channels to dispose of excess torch gas. The torch operates in the 'nontransferred' mode of operation, that is the electric arc is confined within the torch. A plasma is formed in helium by a dc arc. A small amount of O2 is injected downstream from the arc where it is thermally dissociated by the hot He into oxygen atoms. The high temperature and isentropic expansion give the oxygen atoms their velocity. Using seeded beam techniques, oxygen atom beams of approximately 3.5 and approximately 1.5 km/sec, respectively, are obtained.

Arnold, G. S.↗

NASA NTRS1990

The stability of a collisionless cosmological shell

The P3 M technique is used here to simulate the evolution of collisionless shells in an Omega = 1 universe. Starting from the spherical similarity solution, a bootstrap technique is used to follow the evolution over very large expansion factors. It is found that the overall structure follows the similarity solution for a long period during which bound clumps grow within the shell. At late times the growth of structure depends on induced velocity perturbations in material outside the shell. If such perturbations are suppressed, structure on the shell becomes self-similar. When induced motions in the background medium are included, the evolution at late times is dominated by large-scale modes as predicted by linear stability analysis. The stable final state appears to consist of one or two massive clumps on the edge of a spherical void. The possible application of these results to the origin of galaxies and large-scale structure is discussed.

White, Simon D. M.↗

NASA NTRS1991

Analysis of impact response in composite plates

The problem of impact is of considerable interest in laminated composite materials. Although important contributions have been made in the understanding the impact problem through numerical solutions, an analytical solution has not been available for the problem of impact of laminated plates. The present work gives an analytical solution to this problem, based on the usual Fourier series expansion for simply-supported plates, combined with Laplace transform techniques for the impact problem solution.

Christoforou, A. P.↗