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DOE OSTI2023

Higher-Order Corrections to Optimisers based on Newton's Method

The Newton, Gauss–Newton and Levenberg–Marquardt methods all use the first derivative of a vector function (the Jacobian) to minimise its sum of squares. When the Jacobian matrix is ill-conditioned, the function varies much faster in some directions than others and the space of possible improvement in sum of squares becomes a long narrow ellipsoid in the linear model. This means that even a small amount of nonlinearity in the problem parameters can cause a proposed point far down the long axis of the ellipsoid to fall outside of the actual curved valley of improved values, even though it is quite nearby. This paper presents a differential equation that ‘follows’ these valleys, based on the technique of geodesic acceleration, which itself provides a 2 nd order improvement to the Levenberg–Marquardt iteration step. Higher derivatives of this equation are computed that allow n th order improvements to the optimisation methods to be derived. These higher-order accelerated methods up to 4 th order are tested numerically and shown to provide substantial reduction of both number of steps and computation time.

43 PARTICLE ACCELERATORS↗

NASA NTRS1972

Multiple-orifice liquid injection into hypersonic airstreams and applications to ram C-3 flight

Experimental data are presented for the oblique injection of water and three electrophilic liquids (fluorocarbon compounds) through multiple-orifice nozzles from a flat plate and the sides of a hemisphere-cone (0.375 scale of RAM C spacecraft) into hypersonic airstreams. The nozzle patterns included single and multiple orifices, single rows of nozzles, and duplicates of the RAM C-III nozzles. The flat-plate tests were made at Mach 8. Total pressure was varied from 3.45 MN/m2 to 10.34 MN/m2, Reynolds number was varied form 9,840,000 per meter to 19,700,000 per meter, and liquid injection pressure was varied from 0.69 MN/m2 to 3.5 MN/m2. The hemisphere-cone tests were made at Mach 7.3. Total pressure was varied from 1.38 MN/m2, to 6.89 MN/m2, Reynolds number was varied from 3,540,000 per meter to 17,700,000 per meter, and liquid-injection pressure was varied from 0.34 MN/m2 to 4.14 MN/m2. Photographs of the tests and plots of liquid-penetration and spray cross-section area are presented. Maximum penetration was found to vary as the square root of the dynamic-pressure ratio and the square root of the total injection nozzle area. Spray cross-section area was linear with maximum penetration. The test results are used to compute injection parameters for the RAM C-3 flight injection experiment.

Weaver, W. L.↗

NASA NTRS1983

Model reference adaptive control for systems with time varying model commands

Model reference adaptive control is applied to linear time invariant systems for the case of arbitrary time varying model commands. Asymptotic stability is guaranteed, provided that the output stabilized transfer matrix is strictly positive real. Only output measurements are needed. Neither perfect model following nor explicit parameter identification is required. Simulations show the scheme to be capable of guaranteeing stability when the model inputs are time varying.

Abida, L.↗

NASA NTRS1995

Nonlinear structure formation in flat cosmological models

This paper describes the formation of nonlinear structure in flat (zero curvature) Friedmann cosmological models. We consider models with two components: the usual nonrelativistic component that evolves under gravity and eventually forms the large-scale structure of the universe, and a uniform dark matter component that does not clump under gravity, and whose energy density varies with the scale factor a(t) like a(t)(sup -n), where n is a free parameter. Each model is characterized by two parameters: the exponent n and the present density parameter Omega(sub 0) of the nonrelativistic component. The linear perturbation equations are derived and solved for these models, for the three different cases n = 3, n is greater than 3, and n is less than 3. The case n = 3 is relevant to model with massive neutrinos. The presence of the uniform component strongly reduces the growth of the perturbation compared with the Einstein-de Sitter model. We show that the Meszaros effect (suppression of growth at high redshift) holds not only for n = 4, radiation-dominated models, but for all models with n is greater than 3. This essentially rules out any such model. For the case n is less than 3, we numerically integrate the perturbation equations from the big bang to the present, for 620 different models with various values of Omega(sub 0) and n. Using these solutions, we show that the function f(Omega(sub 0), n) = (a/delta(sub +))d(delta)(sub +)/da, which enters in the relationship between the present density contrast delta(sub 0) and peculiar velocity field u(sub 0) is essentially independent of n. We derive approximate solutions for the second-order perturbation equations. These second-order solutions are tested against the exact solutions and the Zel'dovich approximation for spherically symmetric perturbations in the marginally nonlinear regime (the absolute value of delta is less than or approximately 1). The second-order and Zel'dovich solutions have comparable accuracy, significantly higher than the accuracy of the linear solutions. We then investigate the dependence of the delta(sub 0) - u(sub 0) relationship upon the value of n in the nonlinear regime using the second-order solutions for marginally nonlinear, general perturbations, and the exact solutions for strongly nonlinear, spherically symmetric perturbations. In both cases, we find that the delta(sub 0) - u(sub 0) relationship remains independent of n. We speculate that this result extends to strongly nonlinear, general perturbations as well. This eliminates any hope to determine the presence of the uniform component or the value of n using dynamical methods. Finally, we compute the nonlinear evolution of the skewness of the distribution of values of delta, assuming Gaussian initial conditions. We find that the skewness is not only independent of n, but also of Omega(sub 0). Thus the skewness cannot be used to discriminate among various models with Gaussian initial conditions. However, it can be used for testing the Gaussianity of the initial conditions themselves. We conclude that the uniform component leaves no observable signature in the present large-scale structure of the universe. To determine its presence and nature, we must investigate the relationship between the past and present universe, using redshift-dependent tests.

Martel, Hugo↗

NASA NTRS2010

Sensitivity of VIIRS Polarization Measurements

The design of an optical system typically involves a sensitivity analysis where the various lens parameters, such as lens spacing and curvatures, to name two parameters, are (slightly) varied to see what, if any, effect this has on the performance and to establish manufacturing tolerances. A sinular analysis was performed for the VIIRS instruments polarization measurements to see how real world departures from perfectly linearly polarized light entering VIIRS effects the polarization measurement. The methodology and a few of the results of this polarization sensitivity analysis are presented and applied to the construction of a single polarizer which will cover the VIIRS VIS/NIR spectral range. Keywords: VIIRS, polarization, ray, trace; polarizers, Bolder Vision, MOXTEK

Waluschka, Eugene↗

DOE OSTI2020

Multivariate Regression of Pyrotechnic Igniter Output

Multivariate multiple regression models are applied to simplified pyrotechnic igniters for the first time to understand how changes in manufactured parameters can affect the output gas dynamic response and the timing of ignition events. The statistical modeling technique is applied to demonstrate quantification of the effects of a set of independent variables measured in the as-fabricated igniters on a set of responses experimentally measured from the functioned igniters. Two independent process variables were intentionally varied following a full factorial experimental design while several other independent variables varied within their normal manufacturing variability range. The four igniter performance responses consisted of the timing of sequential events during igniter function and visual gas dynamic output in the form of shock wave strength observed with high-speed schlieren imaging. Linear regression models built using the measurements throughout the manufacturing processes and the output variance provide insight into the critical device parameters that dominate performance

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2024

Optical-pump–terahertz-probe spectroscopy in high magnetic fields with kHz single-shot detection

We demonstrate optical pump–THz probe (OPTP) spectroscopy with a variable external magnetic field (0–9 T), in which the time-dependent THz signal is measured by echelon-based single-shot detection at a repetition rate of 1 kHz. The method reduces data acquisition times by more than an order of magnitude compared to conventional electro-optic sampling using a scanning delay stage. The approach illustrates the wide applicability of the single-shot measurement approach to non-equilibrium systems that are studied through OPTP spectroscopy, especially in cases where parameters such as magnetic field strength (B) or other experimental parameters are varied. We demonstrate the capabilities of our measurement by performing cyclotron resonance experiments in bulk silicon, where we observe B-field-dependent carrier relaxation and distinct relaxation rates for different carrier types. We use a pair of economical linear array detectors to measure 500 time points on each shot, offering an equivalent performance to camera-based detection with possibilities for higher repetition rates.

Instruments & Instrumentation↗

DOE OSTI2025

A Variational Autoencoder Model Toward Molecular Structure Representation Learning of Fuels

Here, in this work, a Variational Autoencoder (VAE)-based data-driven modeling framework is developed with the overarching goal of enabling fuel design. The VAE model is trained on a large dataset with several chemical species to learn a compressed latent space molecular representation. Chemical structure in the form of Simplified Molecular Input Line Entry System (SMILES) string is fed as input, encoded into the VAE latent space, and decoded back to the SMILES string using Long Short-Term Memory (LSTM) networks. Complexities of the VAE training loss function are thoroughly examined by varying the weightage (beta (𝜷) parameter) of the latent space regularization term, thereby assessing the balance between reconstruction accuracy and validity, and focusing on both accurate molecular structure reconstruction and latent space consistency. Two different strategies for 𝜷 variation are evaluated: linear annealing and cyclic annealing. In addition, the impact of total correlation adjustment and hierarchical priors is also studied with regard to the balance between reconstruction fidelity and latent space regularization, and potential issues such as posterior collapse, over-regularization, and poor disentanglement of latent variables. Overall, the best performance of the model is achieved with hierarchical priors and incrementally increasing 𝜷 from 0 to a threshold value of 0.25 over 75 epochs. The generative VAE model can be readily coupled with Quantitative Structure–Property Relationship (QSPR) analysis to develop an integrated end-to-end framework for fuel-property prediction and molecular design of novel promising fuels.

fuel design↗

NASA NTRS2012

A Parameterized Inversion Model for Soil Moisture and Biomass from Polarimetric Backscattering Coefficients

A semi-empirical algorithm for the retrieval of soil moisture, root mean square (RMS) height and biomass from polarimetric SAR data is explained and analyzed in this paper. The algorithm is a simplification of the distorted Born model. It takes into account the physical scattering phenomenon and has three major components: volume, double-bounce and surface. This simplified model uses the three backscattering coefficients ( sigma HH, sigma HV and sigma vv) at low-frequency (P-band). The inversion process uses the Levenberg-Marquardt non-linear least-squares method to estimate the structural parameters. The estimation process is entirely explained in this paper, from initialization of the unknowns to retrievals. A sensitivity analysis is also done where the initial values in the inversion process are varying randomly. The results show that the inversion process is not really sensitive to initial values and a major part of the retrievals has a root-mean-square error lower than 5% for soil moisture, 24 Mg/ha for biomass and 0.49 cm for roughness, considering a soil moisture of 40%, roughness equal to 3cm and biomass varying from 0 to 500 Mg/ha with a mean of 161 Mg/ha

soil moisture↗

DOE OSTI2025

Correlations between maximum mass of neutron stars and the nuclear matter properties and the constraints from PSR J0740+6620 and GW190814

The correlations between the maximum mass of neutron stars (NSs) with the properties of nuclear matter at saturation density ρ 0 , i.e., the incompressibility K 0 , the symmetry energy E sym (ρ 0 ), and its slope L(ρ 0 ), the isoscalar effective mass m$^{*}_{s0}$, and the parameter f I , have been investigated using several sets of Skyrme interactions based on the momentum-dependent (MD) Skyrme interactions SAMi-J27 (soft), SAMi-J31 (stiff), and SAMi-J35 (super-stiff), as well as the momentum-independent (MI) Skyrme interaction SkT5. Only one physical quantity is varied at a time for a given set of Skyrme interactions. It is found that the maximum mass of NSs has (1) a strong positive linear correlation with K 0 for stiff and super-stiff equation of state (EOS) and no correlation with K 0 for soft EOS; (2) a negative logarithm correlation with the symmetry energy E sym (ρ 0 ) for all the EOSs; (3) a positive logarithm correlation with the slope L(ρ 0 ) for all the EOSs; (4) a positive logarithm correlation with the parameter f I for MD EOS; (5) a negative power-law correlation with m$^{*}_{s0}$ for MD EOS. Based on these established correlations, the constraints to the nuclear matter properties from the mass of PSR J0740+6620 and GW190814 are investigated. Furthermore, we find that while rotation enhances the maximum mass of NSs, it does not effect the underlying correlations between the maximum mass and the aforementioned nuclear matter parameters.

Zhou, M. [Shaanxi Normal University, Xi’an (China)↗

DOE OSTI2024

Weak lensing combined with the kinetic Sunyaev–Zel’dovich effect: a study of baryonic feedback

ABSTRACT Extracting precise cosmology from weak lensing surveys requires modelling the non-linear matter power spectrum, which is suppressed at small scales due to baryonic feedback processes. However, hydrodynamical galaxy formation simulations make widely varying predictions for the amplitude and extent of this effect. We use measurements of Dark Energy Survey Year 3 weak lensing (WL) and Atacama Cosmology Telescope DR5 kinematic Sunyaev–Zel’dovich (kSZ) to jointly constrain cosmological and astrophysical baryonic feedback parameters using a flexible analytical model, ‘baryonification’. First, using WL only, we compare the $S_8$ constraints using baryonification to a simulation-calibrated halo model, a simulation-based emulator model, and the approach of discarding WL measurements on small angular scales. We find that model flexibility can shift the value of $S_8$ and degrade the uncertainty. The kSZ provides additional constraints on the astrophysical parameters, with the joint WL + kSZ analysis constraining $S_8=0.823^{+0.019}_{-0.020}$. We measure the suppression of the non-linear matter power spectrum using WL + kSZ and constrain a mean feedback scenario that is more extreme than the predictions from most hydrodynamical simulations. We constrain the baryon fractions and the gas mass fractions and find them to be generally lower than inferred from X-ray observations and simulation predictions. We conclude that the WL + kSZ measurements provide a new and complementary benchmark for building a coherent picture of the impact of gas around galaxies across observations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Permeability and Induced Polarization of Mudstones

Electrical measurements can be used to estimate hydraulic properties such as permeability ( k ) in sedimentary rocks. Previous work has focused on sandstones, siltstones, and carbonates, while investigations on mudstones have rarely been reported. In this study, we report on electrical geophysical measurements for 23 mudstone samples using an experimental approach designed to reliably saturate these low permeability mudstones. The modified Hagen-Poiseuille model linking permeability to the formation factor ( F ) and an effective pore radius ( r ) provides an excellent fit to the data set with a near-constant pore radius, indicating that the effective porosity (1/ F ) is the controlling factor on k . In these samples, the surface area normalized to pore volume ( S por ), frequently used in permeability estimation models, varies by 1–2 orders of magnitude and is thus not a reliable proxy of the inverse effective hydraulic radius. The formation factor also exerts the primary control on induced polarization (IP) parameters, whereas Spor shows no relation to the IP parameters. A strong linear relationship is found between IP parameters (imaginary conductivity and normalized chargeability) and surface conductivity, although the proportionality factor is significantly lower than those observed in more permeable rocks and sediments. Apparent relationships between the polarization strength-derived and time constant-derived geophysical length scales and the effective hydraulic radius appear to be driven by variations in the electrochemical parameters (i.e., specific polarizability and diffusion coefficient). Overall, these findings emphasize that predicting hydraulic properties from electrical measurements in fine-grained rocks remains challenging and requires further investigation into the electrochemical properties involved.

58 GEOSCIENCES↗

DOE OSTI2022

Integrated Optimization and Control of a Hybrid Gas Turbine/sCO 2 Power System

During phase-I, the project team led by Echogen Power Systems (EPS) had two primary objectives based on investigating the application of gas turbines with supercritical carbon dioxide (sCO 2 ) power cycles. The first objective was to improve the overall efficiency and performance of a hybrid gas turbine/sCO 2 power system through a joint optimization of the two subsystems (gas turbine and sCO 2 power cycle) using non-linear optimization techniques that simultaneously evaluate thermal performance of the combined cycle. The hybrid power system included several points of interaction, including (but not limited to) gas turbine exhaust, fuel heating, inlet chilling and turbine cooling. The second objective was to establish a baseline transient response model of the hybrid power system and a notional microgrid and begin steps to integrate the control systems of the three major elements (gas turbine, sCO 2 cycle and grid controller). The project team established a baseline performance for a combined cycle power plant using a production gas turbine and scaled sCO 2 power cycle only utilizing exhaust heat recovery. Echogen’s non-linear techno-economic optimization code was extended by adding gas turbine component models derived from a in-house developed gas turbine design code. With the two cycles coupled by the gas turbine exhaust, design parameters of both cycles were allowed to vary simultaneously to determine performance opportunity versus isolated designs. Returning to the baseline gas turbine/sCO 2 power cycle transient models: Echogen had in-house developed sCO 2 cycle transient model in GT-Suite system simulation software, and had partnered with Siemens Finspång for gas turbine transient model, and Siemens PTI group to provide micro-grid load profile as well as hybrid power cycle generated load (power and frequency) analysis. The transient model for the SGT-750 Siemens gas turbine was a “black-box” functional mock-up interface (FMI) model developed by Siemens Industrial Turbomachinery in Finspång, Sweden. The SGT-750 is a twin-shaft gas turbine that produces 40 MW electricity with an efficiency of about 40% at ISO conditions. At 100% gas turbine throttle (load), the SGT-750 has average exhaust conditions of 114.6 kg/s and 469.8°C. The transient model for sCO 2 power cycle was developed by Echogen in GT-SUITE 1D system simulation software platform. The basic CO 2 flow circuit has single-shaft turbomachinery with net 11.5 MW electrical power output at design conditions. The power turbine has a double-ended shaft with one end connected to synchronous generator through a fixed-ratio gearbox. The other end of power turbine is connected to the compressor through a continuously variable transmission. The major components of the sCO 2 power cycle modeled include air cooled condenser/cooler, CO 2 compressor, recuperator, two waste heat exchanger coils, power turbine, continuous variable transmission, gearbox and generator. Integration of SGT-750 transient model and sCO 2 power cycle transient model was done in Matlab Simulink. In the integrated model, the gas turbine and sCO 2 power cycle interacted at two points, first one being the gas turbine exhaust gas flow rate and temperature, which were inputs to sCO 2 power cycle model. The second point was the distribution of micro-grid load demand signal between the SGT-750 generator and sCO 2 cycle generator. For a given combined-cycle load demand, the gas turbine load demand was equal to the total demand minus the sCO 2 cycle power generated. In the present study the integrated model was simulated for two cases of grid load demand: (i) for a step change, both positive-step and negative-step, in grid load demand (ii) for a micro-grid load demand curve provided by Siemens PTI group. Finally, the time series plots representing load demand versus integrated system response were presented including the sCO 2 power cycle control system performance plots. The actual generated power and frequency of both the generators, gas turbine and sCO 2 power cycle, was supplied to Siemens PTI group for dynamic grid assessment, results of which are provided in appendices.

03 NATURAL GAS↗

NASA NTRS1974

Effect of interjet spacing on mixing of multiple coaxial jets in supersonic flow

An experimental and analytical investigation of strut-mounted, four-nozzle, downstream facing, gaseous fuel injector assembly was conducted in a Mach 4 air-stream with P = 154 psia and T sub o 520 R. Helium was used as the injectant, and the interjet spacing (S/D) was the main parameter varied. The principal data are in the form of Helium concentration profiles at seven axial stations, Mach number distributions at three axial stations and schlieren photographs of the flow field at different interjet spacings. An approximate analysis was developed based upon a linearization in the Von Mises plane, Crocco integrals for the temperature and concentrations fields and an eddy viscosity model. Good agreement with the data was achieved. It was found that, at these conditions, interjet spacing has an effect on mixing only up to S/D of approximately 2.5, with concentration of injectant becoming smaller as S/D is increased, and the Mach number downstream of the injector tends to decrease with decreasing S/D.

Lorber, A. K.↗

NASA NTRS1974

Turbulent mixing of multiple co-axial gaseous fuel jets in a supersonic airstream

An experimental and analytical investigation of a strut-mounted, four-nozzle, downstream-facing, gaseous fuel-injector assembly was conducted in a Mach 4 airstream at 154 psia and 520 R. Helium was used as the injectant in order to simulate a low molecular weight fuel, and the interjet spacing (S/D) was the main parameter varied. The principal data are in the form of helium concentration profiles at seven axial stations, Mach number distributions at three axial stations, and Schlieren photographs of the flow field at different interjet spacings. An approximate analysis was developed based upon a linearization in the Von Mises plane, Crocco integrals for the temperature and concentrations fields, and an eddy viscosity model. Good agreement with the data was achieved. It was found that, at these conditions, interjet spacing has a significant effect on mixing only up to S/D of approximately 2.5, with the concentration of the injectant at a given point becoming smaller as S/D is increased.

Lorber, A. K.↗

NASA NTRS1988

An evaluation of interactive displays for trajectory planning and proximity operations

Rendezvous, docking, and other Space Station proximity operations will be routine in nature in years to come. However, the specific parameters describing each maneuver, such as initial range and position, will vary from mission to mission so a means for depicting and interacting with graphic representations of proposed mission plans is necessary. Orbital operations are inherently non-intuitive due to non-linearities in the equations of motion of orbiting vehicles. Consequently, relative motion between two spacecraft cannot always be easily visualized. For these reasons, real time interactive visual aids and planning tools will be helpful, if not necessary, for future missions both in pre-flight training and on-orbit. Two such displays, Navie and eivaN, are currently available for examination and human factors testing. Since the docking tasks were fundamentally different with each device and because Navie imposed more constraints on the users than eivaN did, the orbital mechanics effects had a more pronounced effect on the Navie results.

Brody, Adam R.↗

NASA NTRS2001

On-Line Mu Method for Robust Flutter Prediction in Expanding a Safe Flight Envelope for an Aircraft Model Under Flight Test

A structured singular value (mu) analysis method of computing flutter margins has robust stability of a linear aeroelastic model with uncertainty operators (Delta). Flight data is used to update the uncertainty operators to accurately account for errors in the computed model and the observed range of aircraft dynamics of the aircraft under test caused by time-varying aircraft parameters, nonlinearities, and flight anomalies, such as test nonrepeatability. This mu-based approach computes predict flutter margins that are worst case with respect to the modeling uncertainty for use in determining when the aircraft is approaching a flutter condition and defining an expanded safe flight envelope for the aircraft that is accepted with more confidence than traditional methods that do not update the analysis algorithm with flight data by introducing mu as a flutter margin parameter that presents several advantages over tracking damping trends as a measure of a tendency to instability from available flight data.

Lind, Richard C.↗

NASA NTRS1985

Electrophoretic mobility of cells in a vertical Ficoll gradiant

The upward migration of living cells and test particles under the influence of a constant electric field in a low conductivity Ficoll gradient occurs at nearly constant velocity. Viscosity and neutral polymer concentration affect migration rate. Decreasing viscosity speeds up the particle migration, decreasing neutral polymer (Ficoll) concentration, slows particle migration, since electrophoretic mobility increases approximately linearly with neutral polymer concentration. Neutral polymers interact with the cell surface to effectively raise its zeta potential. An analytic function was developed from the known dependence of these physical variables on migration distance; the analysis expresses migration velocity as an explicit function of position in the density gradient. It predicts an almost linear increase in velocity of about 12 to 16% over the working region of the gradient. It was numerically integrated and correctly predicts cell migration distance vs time curves without the use of any fitted parameters. The resulting migration curves follow the expected slowly varying exponential form that closely resembles a straight line. The ability to determine standard electrophoretic mobilities from such curves depends on knowledge of the effect of Ficoll on the zeta potential of the cell type that is separated.

Plank, L. D.↗