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At least 865 records · Page 48

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NASA NTRS1976

On the optimal minimum order observer-based compensator and the limited state variable feedback controller

Four design problems are considered: two on the optimal minimum order observer-based compensator design and two on the optimal limited state variable feedback controller. The problem of designing an optimal discrete time linear time-invariant observer-based compensator for the regulation of an n dimensional linear discrete time time-invariant plant with m independent outputs is considered. This is a stochastic design problem to the extent that the initial plant state is assumed to be a random vector with known first and second order statistics. The compensator parameters are obtained by minimizing the expectation, with respect to the initial conditions, of the standard cost, quadratic in the state and control vectors with the inclusion of cross terms.

Llorens-Ortiz, B.↗

DOE OSTI2020

Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups

The two classes of 3D, time-reversal-invariant insulators are known to subdivide into four classes in the presence of glide symmetry. Here, we extend this classification of insulators to include glide-symmetric Weyl metals and find a finer $\mathbb{Z}_4 ⊕\mathbb {Z}$ classification. We further elucidate the smoking-gun experimental signature of each class in the photoemission spectroscopy of surface states. Measuring the $\mathbb{Z}_4$ topological invariant by photoemission relies on identifying the glide representation of the initial Bloch state before photoexcitation—we show how this is accomplished with relativistic selection rules, combined with standard spectroscopic techniques to resolve both momentum and spin. In this work, our method relies on a spin-momentum locking that is characteristic of all glide-symmetric solids (inclusive of insulators and metals in trivial and topological categories). As an orthogonal application, given a glide-symmetric solid with an ideally symmetric surface, we may utilize this spin-momentum locking to generate a source of fully spin-polarized photoelectrons, which have diverse applications in solid-state spectroscopy. Our ab initio calculations predict Ba 2 Pb, stressed Na 3 Bi, and KHgSb to realize all three, nontrivial insulating phases in the $\mathbb{Z}_4$ classification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2010

Reactivation of a Tin-Oxide-Containing Catalyst

The electrons in electric-discharge CO2 lasers cause dissociation of some CO2 into O2 and CO, and attach themselves to electronegative molecules such as O2, forming negative O2 ions, as well as larger negative ion clusters by collisions with CO or other molecules. The decrease in CO2 concentration due to dissociation into CO and O2 will reduce the average repetitively pulsed or continuous wave laser power, even if no disruptive negative ion instabilities occur. Accordingly, it is the primary object of this invention to extend the lifetime of a catalyst used to combine the CO and O2 products formed in a laser discharge. A promising low-temperature catalyst for combining CO and O2 is platinum on tin oxide (Pt/SnO2). First, the catalyst is pretreated by a standard procedure. The pretreatment is considered complete when no measurable quantity of CO2 is given off by the catalyst. After this standard pretreatment, the catalyst is ready for its low-temperature use in the sealed, high-energy, pulsed CO2 laser. However, after about 3,000 minutes of operation, the activity of the catalyst begins to slowly diminish. When the catalyst experiences diminished activity during exposure to the circulating gas stream inside or external to the laser, the heated zone surrounding the catalyst is raised to a temperature between 100 and 400 C. A temperature of 225 C was experimentally found to provide an adequate temperature for reactivation. During this period, the catalyst is still exposed to the circulating gas inside or external to the laser. This constant heating and exposing the catalyst to the laser gas mixture is maintained for an hour. After heating and exposing for an appropriate amount of time, the heated zone around the catalyst is allowed to return to the nominal operating temperature of the CO2 laser. This temperature normally resides in the range of 23 to 100 C. Catalyst activity can be measured as the percentage conversion of CO to CO2. In the specific embodiment described above, the initial steady-state conversion percentage was 70 percent. After four days, this conversion percentage decreased to 67 percent. No decrease in activity is acceptable because the catalyst must maintain its activity for long periods of time. After being subjected to the reactivation process of the present invention, the conversion percentage rose to 77 percent. Such a reactivation not only returned the catalyst to its initial steady state but resulted in a 10-percent improvement over the initial steady state value.

Hess, Robert↗

NASA NTRS1991

Mixed convective/dynamic roll vortices and their effects on initial wind and temperature profiles

The onset and development of both dynamically and convectively forced boundary layer rolls are studied with linear and nonlinear analyses of a truncated spectral model of shallow Boussinesq flow. Emphasis is given here on the energetics of the dominant roll modes, on the magnitudes of the roll-induced modifications of the initial basic state wind and temperature profiles, and on the sensitivity of the linear stability results to the use of modified profiles as basic states. It is demonstrated that the roll circulations can produce substantial changes to the cross-roll component of the initial wind profile and that significant changes in orientation angle estimates can result from use of a roll-modified profile in the stability analysis. These results demonstrate that roll contributions must be removed from observed background wind profiles before using them to investigate the mechanisms underlying actual secondary flows in the boundary layer. The model is developed quite generally to accept arbitrary basic state wind profiles as dynamic forcing. An Ekman profile is chosen here merely to provide a means for easy comparison with other theoretical boundary layer studies; the ultimate application of the model is to study observed boundary layer profiles. Results of the analytic stability analysis are validated by comparing them with results from a larger linear model. For an appropriate Ekman depth, a complete set of transition curves is given in forcing parameter space for roll modes driven both thermally and dynamically. Preferred orientation angles, horizontal wavelengths and propagation frequencies, as well as energetics and wind profile modifications, are all shown to agree rather well with results from studies on Ekman layers as well as with studies on near-neutral and convective atmospheric boundary layers.

Haack, Tracy↗

DOE OSTI2021

Estimation of sensor measurement errors in reactor coolant systems using multi-sensor fusion

A nuclear power plant is typically instrumented with a variety of sensors to continually monitor its variables, and their sensor’s measurements may be used to assess the plant state and initiate safety actions, if needed. Errors in sensor measurements, due to factors such as calibration drifts, critically affect such state assessments. Here, we address a problem of estimating sensor errors using physics-informed machine learning methods that use measurements collected under known plant conditions. For a given sensor, we propose an information fusion method that uses measurements from other sensors to estimate its output assuming it is error-free and provides its difference from an actual measurement as an error estimate. We present the ensemble of trees and support vector machine fusers, and evaluate their performance using measurements collected over an emulated test loop of a pressurized water reactor. The plant variables are related to each other through the underlying physical laws under inertial constraints that place bounds on their derivatives, which analytically justify the applicability of machine learning methods for computing these fusers. Under twenty scenarios, we assess their sensor error estimates for pressure sensors of the heat exchanger of a reactor’s primary coolant system. Multiple types of errors are captured by both fusers under externally induced calibration drifts, blockages, minor leaks and air gaps in sensing lines, and electromagnetic interference; the root mean square error of the estimation of error is under 2.2% percent of the maximum measurement. We present generalization equations, in the framework of statistical learning theory, for these methods that characterize the confidence probability that the estimation error is bounded by a specified parameter in future test scenarios.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1999

A mechanical energy analysis of gait initiation

The analysis of gait initiation (the transient state between standing and walking) is an important diagnostic tool to study pathologic gait and to evaluate prosthetic devices. While past studies have quantified mechanical energy of the body during steady-state gait, to date no one has computed the mechanical energy of the body during gait initiation. In this study, gait initiation in seven normal male subjects was studied using a mechanical energy analysis to compute total body energy. The data showed three separate states: quiet standing, gait initiation, and steady-state gait. During gait initiation, the trends in the energy data for the individual segments were similar to those seen during steady-state gait (and in Winter DA, Quanbury AO, Reimer GD. Analysis of instantaneous energy of normal gait. J Biochem 1976;9:253-257), but diminished in amplitude. However, these amplitudes increased to those seen in steady-state during the gait initiation event (GIE), with the greatest increase occurring in the second step due to the push-off of the foundation leg. The baseline level of mechanical energy was due to the potential energy of the individual segments, while the cyclic nature of the data was indicative of the kinetic energy of the particular leg in swing phase during that step. The data presented showed differences in energy trends during gait initiation from those of steady state, thereby demonstrating the importance of this event in the study of locomotion.

Leg/physiology↗

NASA NTRS1973

Energetics of core formation - A correction.

An error has recently been discovered in the calculation of the temperature rise conducted by Birch (1965) in connection with a determination of the release of gravitational energy accompanying a rapid formation of the earth's core from an initially undifferentiated state. A revised calculation of the energetic relations involved in the core formation is, therefore, presented. The radii of the initial undifferentiated cold earth and of the fictitious undifferentiated warm earth are both found to be slightly smaller than that of the present differentiated warm earth.

Flasar, F. M.↗

NASA NTRS1975

Large Angle Satellite Attitude Maneuvers

Two methods are proposed for performing large angle reorientation maneuvers. The first method is based upon Euler's rotation theorem; an arbitrary reorientation is ideally accomplished by rotating the spacecraft about a line which is fixed in both the body and in space. This scheme has been found to be best suited for the case in which the initial and desired attitude states have small angular velocities. The second scheme is more general in that a general class of transition trajectories is introduced which, in principle, allows transfer between arbitrary orientation and angular velocity states. The method generates transition maneuvers in which the uncontrolled (free) initial and final states are matched in orientation and angular velocity. The forced transition trajectory is obtained by using a weighted average of the unforced forward integration of the initial state and the unforced backward integration of the desired state. The current effort is centered around practical validation of this second class of maneuvers. Of particular concern is enforcement of given control system constraints and methods for suboptimization by proper selection of maneuver initiation and termination times. Analogous reorientation strategies which force smooth transition in angular momentum and/or rotational energy are under consideration.

Cochran, J. E.↗

DOE OSTI2026

Single pion production and pion propagation in A chilles

We extend the applicability of A chilles (A CHIcagoLand Lepton Event Simulator) by incorporating the single pion production mechanism in a fully exclusive fashion. The electroweak interaction vertex is modeled by combining the state-of-the-art dynamical coupled-channels approach with realistic hole spectral functions, which account for correlations in both the initial target state and the residual spectator system. Final-state interactions are treated using a semiclassical intranuclear cascade that leverages nuclear configurations to determine the correlated spatial distribution of protons and neutrons. The meson-baryon scattering amplitudes used in the cascade are computed within the dynamical coupled-channels framework, consistent with the electroweak vertex. To model pion absorption, we employ the optical potential approach of Oset and Salcedo [Nucl. Phys. A484, 557 (1988).]. As an alternative approach, we explicitly model the production and propagation of resonances which mediate pion-nucleon scattering and pion absorption. We validate our approach against pion-nucleon and pion-nucleus scattering data, and present comparisons with electron- and neutrino-nucleus measurements from e⁢4⁢𝜈, T2K, MINER⁢𝜈⁢A, and MicroBooNE.

Isaacson, Joshua [Michigan State Univ., East Lansi↗

NASA NTRS1992

State-selected chemical reaction dynamics at the S matrix level - Final-state specificities of near-threshold processes at low and high energies

State-to-state reaction probabilities are found to be highly final-state specific at state-selected threshold energies for the reactions O + H2 yield OH + H and H + H2 yield H2 + H. The study includes initial rotational states with quantum numbers 0-15, and the specificity is especially dramatic for the more highly rotationally excited reactants. The analysis is based on accurate quantum mechanical reactive scattering calculations. Final-state specificity is shown in general to increase with the rotational quantum number of the reactant diatom, and the trends are confirmed for both zero and nonzero values of the total angular momentum.

Chatfield, David C.↗

DOE OSTI2021

Surface Redox Pseudocapacitance of Partially Oxidized Titanium Carbide MXene in Water-in-Salt Electrolyte

Achieving pseudocapacitive intercalation in MXenes with neutral aqueous electrolytes and driving reversible redox reactions is scientifically appealing and practically useful. Here, we report that the partial oxidation of MXene intensifies pseudocapacitive Li + intercalation into Ti 3 C 2 T x MXene from neutral water-in-salt electrolytes. An in situ X-ray absorption near-edge structure analysis shows that the Ti oxidation state changes during the Li+ intercalation, indicating the presence of a surface redox reaction. The Ti oxidation/reduction is further confirmed by an in situ extended X-ray absorption fine structure analysis, which shows a reversible contraction/expansion of the Ti–C interatomic distance. The intensified Li + pseudocapacitive intercalation can be explained by the higher oxidation state of Ti at the open circuit potential. Furthermore, this work demonstrates the possibility of tuning the pseudocapacitive intercalation by adjusting the initial oxidation state of the transition metal on the MXene and offers a facile way to enhance the pseudocapacitance of various MXenes.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections

Accessing coherences is key to fully understand and control ultrafast dynamics of complex quantum systems like molecules. Most photochemical processes are mediated by conical intersections, which generate coherences between electronic states in molecules. We show with accurate calculations performed on gas-phase methyl iodide that electronic coherences of spin-orbit-split states persist in atomic iodine after dissociation. Our simulation predicts a maximum magnitude of vibronic coherence in the molecular regime of 0.75% of the initially photoexcited state population. Upon dissociation, one-third of this coherence magnitude is transferred to a long-lived atomic coherence where vibrational decoherence can no longer occur. To trace these dynamics, we propose a tabletop experimental approach—heterodyned attosecond four-wave-mixing spectroscopy. This technique can temporally resolve small electronic coherence magnitudes and reconstruct the full complex coherence function via phase cycling. Hence, heterodyned attosecond four-wave-mixing spectroscopy leads the way to a complete understanding and optimal control of spin-orbit-coupled electronic states in photochemistry.

Chemical Physics↗

NASA NTRS1993

On hydrologic similarity: A dimensionless flood frequency model using a generalized geomorphologic unit hydrograph and partial area runoff generation

One of the shortcomings of the original theory of the geomorphologic unit hydrograph (GUH) is that it assumes that runoff is generated uniformly from the entire catchment area. It is now recognized that in many catchments much of the runoff during storm events is produced on partial areas which usually form on narrow bands along the stream network. A storm response model that includes runoff generation on partial areas by both Hortonian and Dunne mechanisms was recently developed by the authors. In this paper a methodology for integrating this partial area runoff generation model with the GUH-based runoff routing model is presented; this leads to a generalized GUH. The generalized GUH and the storm response model are then used to estimate physically based flood frequency distributions. In most previous work the initial moisture state of the catchment had been assumed to be constant for all the storms. In this paper we relax this assumption and allow the initial moisture conditions to vary between storms. The resulting flood frequency distributions are cast in a scaled dimensionless framework where issues such as catchment scale and similarity can be conveniently addressed. A number of experiments are performed to study the sensitivity of the flood frequency response to some of the 'similarity' parameters identified in this formulation. The results indicate that one of the most important components of the derived flood frequency model relates to the specification of processes within the runoff generation model; specifically the inclusion of both saturation excess and Horton infiltration excess runoff production mechanisms. The dominance of these mechanisms over different return periods of the flood frequency distribution can significantly affect the distributional shape and confidence limits about the distribution. Comparisons with observed flood distributions seem to indicate that such mixed runoff production mechanisms influence flood distribution shape. The sensitivity analysis also indicated that the incorporation of basin and rainfall storm scale also greatly influences the distributional shape of the flood frequency curve.

Sivapalan, Murugesu↗

DOE OSTI2021

Floquet Prethermalization with Lifetime Exceeding 90 s in a Bulk Hyperpolarized Solid

Here, we report the observation of long-lived Floquet prethermal states in a bulk solid composed of dipolar-coupled 13 C nuclei in diamond at room temperature. For precessing nuclear spins prepared in an initial transverse state, we demonstrate pulsed spin-lock Floquet control that prevents their decay over multiple-minute-long periods. We observe Floquet prethermal lifetimes $T^{'}_{2}$≈90.9 s, extended >60 000-fold over the nuclear free induction decay times. The spins themselves are continuously interrogated for ~10 min, corresponding to the application of ≈5.8×10 6 control pulses. The 13 C nuclei are optically hyperpolarized by lattice nitrogen vacancy centers; the combination of hyperpolarization and continuous spin readout yields significant signal-to-noise ratio in the measurements. This allows probing the Floquet thermalization dynamics with unprecedented clarity. We identify four characteristic regimes of the thermalization process, discerning short-time transient processes leading to the prethermal plateau and long-time system heating toward infinite temperature. This Letter points to new opportunities possible via Floquet control in networks of dilute, randomly distributed, low-sensitivity nuclei. In particular, the combination of minutes-long prethermal lifetimes and continuous spin interrogation opens avenues for quantum sensors constructed from hyperpolarized Floquet prethermal nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Oxidation and Reduction of Polycrystalline Cerium Oxide Thin Films in Hydrogen

This study investigates the oxidation state of ceria thin films' surface and subsurface under 100 mTorr hydrogen using ambient pressure X-ray photoelectron spectroscopy. We examine the influence of the initial oxidation state and sample temperature (25-450 °C) on the interaction with hydrogen. Our findings reveal that the oxidation state during hydrogen interaction involves a complex interplay between oxidizing hydride formation, reducing thermal reduction, and reducing formation of hydroxyls followed by water desorption. In all studied conditions, the subsurface exhibits a higher degree of oxidation compared to the surface, with a more subtle difference for the reduced sample. The reduced samples are significantly hydroxylated and covered with molecular water at 25 °C. We also investigate the impact of water vapor impurities in hydrogen. We find that although 1 × 10 -6 Torr water vapor oxidizes ceria, it is probably not the primary driver behind the oxidation of reduced ceria in the presence of hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Limitations on squeezing and formation of the superposition of two macroscopically distinguishable states at fundamental frequency in the process of second harmonic generation

The results of numerical simulations of quantum state evolution in the process of second harmonic generation (SHG) are discussed. It is shown that at a particular moment of time in the fundamental mode initially coherent state turns into a superposition of two macroscopically distinguished states. The question of whether this superposition exhibits quantum interference is analyzed.

Nikitin, S. P.↗

NASA NTRS1972

Gas-core reactor power transient analysis.

The nuclear fuel in the gas-core reactor concept is a ball of uranium plasma radiating thermal photons. The photons are met by an inflowing hydrogen stream, which is seeded with submicron size, depleted uranium particles. A 'wall-burnout' condition exists if the thermal photons can reach the cavity liner because of insufficient absorption by the hydrogen. An analysis was conducted in order to determine the time for which the maximum steady state reactor power could be exceeded without damage to the cavity liner due to burnout. Wall-burnout time as a function of the power increase above the initial steady state condition is shown in a graph.

Kascak, A. F.↗

DOE OSTI2024

Data-Driven Digital Twin for Reliability Assessment of DC/DC Buck Converter

In commercial applications, the operation of DC/DC converters significantly impacts overall system performance and long-term reliability. This study introduces a data-driven digital twin (DT) approach for estimating critical degradation parameters of DC/DC BUCK converter under steady-state condition. Initially, a circuit-level MATLAB/Simulink digital model (DM C ) is refined against a hardware prototype’s switching model dataset using offline particle swarm optimization. The optimized digital model’s steady-state response is then verified with its average model response while varying the duty and load. Subsequently, degradation profiles are imposed on the inductor, capacitor, MOSFET in the DMC. A large dataset is generated from this model, allowing training, validation, and testing of machine learning (ML) models for component health regression tasks. The proposed method employs random forest ML models, achieving impressive regression results with a squared R value as high as 0.99978 and a root mean square error of 4.2× 10 –6 . The method is further validated on a medium power level DC/DC BUCK prototype with varying load conditions, and includes the analysis of MOSFET’s on-resistance under degradation conditions. This data-driven DT method shows promise for identifying parasitic degradation and ohmic loss parameters, enhancing converter reliability assessments in a non-invasive, generalized, and computationally efficient manner.

14 SOLAR ENERGY↗