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DOE OSTI2022

Redox Defect Thermochemistry of FeAl 2 O 4 Hercynite in Water Splitting from First-Principles Methods

Solar thermochemical hydrogen (STCH) production is a promising route to produce fuels from sunlight via high-temperature water splitting. However, efficient and technologically viable implementations of this process only allow a narrow window of thermodynamic boundary conditions that can be used to cycle the system, thus limiting the design space for suitable metal oxide redox mediators. An oxygen defect redox mechanism can contribute a favorable reduction entropy to expand this window, and computational evaluation of materials with high oxygen defect entropies could play a pivotal role in guiding the discovery and design of suitable oxides. This study employs first-principles calculations to investigate the redox mediating defect mechanism of the STCH candidate material, hercynite (FeAl 2 O 4 ). We compare the results of total energy calculations from density functional theory (DFT) with beyond-DFT approaches, including hybrid functionals and the random phase approximation, which are among the most advanced methods currently feasible for supercell defect calculations. Using the predicted formation energies, we perform thermodynamic modeling of FeAl2O4 reduction and oxidation via free energy minimization that incorporates ideal gas, configurational, and vibrational entropy contributions evaluated within the quasi-harmonic approximation. Special attention is devoted to understanding interactions among co-existing defects, such as the association of pairs and complexes of O vacancies and cation antisite defects, and the effect of mutually compensating defect charges. Our results corroborate the notion that the details of defect interactions can be decisive for the viability of hydrogen production within the desirable STCH process window.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

All-optical reconfiguration of single silicon-vacancy centers in diamond for non-volatile memories

Strain engineering is vital for tuning the optical and spin properties of solid-state color centers, enhancing spin coherence and compensating emission wavelength shift. Here, we develop an all-optical approach to directly modify the local strain of color centers at the nanoscale by migrating the nearby defect. High-power pulsed optical irradiation triggers defect migration, which subsequently leads to the redistribution of the local crystal lattice of the host material. This redistribution alters the strain experienced by nearby color centers. Using silicon-vacancy centers in diamond, we validate this method and demonstrate a ground state splitting enhancement of up to 1.8 THz. Unlike conventional methods, our approach requires no external fields or nanostructure modifications, enabling non-volatile strain control and optical memory functionality across wide temperature ranges. Its local, permanent nature offers a scalable path for enhancing spin coherence in large-scale quantum systems and has potential applications in photonic machine learning.

Nanoscale devices↗

NASA NTRS2013

Partially Transparent Petaled Mask/Occulter for Visible-Range Spectrum

The presence of the Poisson Spot, also known as the spot of Arago, has been known since the 18th century. This spot is the consequence of constructive interference of light diffracted by the edge of the obstacle where the central position can be determined by symmetry of the object. More recently, many NASA missions require the suppression of this spot in the visible range. For instance, the exoplanetary missions involving space telescopes require telescopes to image the planetary bodies orbiting central stars. For this purpose, the starlight needs to be suppressed by several orders of magnitude in order to image the reflected light from the orbiting planet. For the Earth-like planets, this suppression needs to be at least ten orders of magnitude. One of the common methods of suppression involves sharp binary petaled occulters envisioned to be placed many thousands of miles away from the telescope blocking the starlight. The suppression of the Poisson Spot by binary sharp petal tips can be problematic when the thickness of the tips becomes smaller than the wavelength of the incident beam. First they are difficult to manufacture and also it invalidates the laws of physical optics. The proposed partially transparent petaled masks/occulters compensate for this sharpness with transparency along the surface of the petals. Depending on the geometry of the problem, this transparency can be customized such that only a small region of the petal is transparent and the remaining of the surface is opaque. This feature allows easy fabrication of this type of occultation device either as a mask or occulter. A partially transparent petaled mask/ occulter has been designed for the visible spectrum range. The mask/occulter can suppress the intensity along the optical axis up to ten orders of magnitude. The design process can tailor the mask shape, number of petals, and transparency level to the near-field and farfield diffraction region. The mask/occulter can be used in space astronomy, ground-based telescope, and high-energy laser systems, and optical lithography to eliminate the Poisson Spot.

Shiri, Ron Shahram↗

NASA NTRS1977

Method of growing composites of the type exhibiting the Soret effect

A predetermine amount of segregation is introduced into a molten sample of a composite that exhibits the Soret effect, such amount approximating the amount of segregation resulting from directional solidification of the sample. The molten sample is then directionally solidified starting at the end opposite the end richer in the constituent that would migrate toward the cooler part of a liquid solution of the composite maintained in a temperature gradient. Since solidification commences at the end deficient in such constituent, its migration toward the interface between the solid and liquid during the solidification will compensate for the deficiency, yielding a more homogeneous product.

Bhat, B. N.↗

NASA NTRS2005

Adaptive Control for Microgravity Vibration Isolation System

Most active vibration isolation systems that try to a provide quiescent acceleration environment for space science experiments have utilized linear design methods. In this paper, we address adaptive control augmentation of an existing classical controller that employs a high-gain acceleration feedback together with a low-gain position feedback to center the isolated platform. The control design feature includes parametric and dynamic uncertainties because the hardware of the isolation system is built as a payload-level isolator, and the acceleration Sensor exhibits a significant bias. A neural network is incorporated to adaptively compensate for the system uncertainties, and a high-pass filter is introduced to mitigate the effect of the measurement bias. Simulations show that the adaptive control improves the performance of the existing acceleration controller and keep the level of the isolated platform deviation to that of the existing control system.

Yang, Bong-Jun↗

NASA NTRS1981

Information theory lateral density distribution for Earth inferred from global gravity field

Information Theory Inference, better known as the Maximum Entropy Method, was used to infer the lateral density distribution inside the Earth. The approach assumed that the Earth consists of indistinguishable Maxwell-Boltzmann particles populating infinitesimal volume elements, and followed the standard methods of statistical mechanics (maximizing the entropy function). The GEM 10B spherical harmonic gravity field coefficients, complete to degree and order 36, were used as constraints on the lateral density distribution. The spherically symmetric part of the density distribution was assumed to be known. The lateral density variation was assumed to be small compared to the spherically symmetric part. The resulting information theory density distribution for the cases of no crust removed, 30 km of compensated crust removed, and 30 km of uncompensated crust removed all gave broad density anomalies extending deep into the mantle, but with the density contrasts being the greatest towards the surface (typically + or 0.004 g cm 3 in the first two cases and + or - 0.04 g cm 3 in the third). None of the density distributions resemble classical organized convection cells. The information theory approach may have use in choosing Standard Earth Models, but, the inclusion of seismic data into the approach appears difficult.

Rubincam, D. P.↗

NASA NTRS2003

Strain-Gauge Measurement of Weight of Fluid in a Tank

A method of determining the amount of fluid in a tank is based on measurement of strains induced in tank supports by the weight of the fluid. Unlike most prior methods, this method is nonintrusive: there is no need to insert instrumentation in the tank and, hence, no need to run wires, cables, or tubes through the tank wall. Also unlike most prior methods, this method is applicable even if the fluid in the tank is at supercritical pressure and temperature, because it does not depend on the presence of a liquid/gas interface (as in liquid-level-measuring methods). The strain gauges used in this method are of two types: foil and fiber-optic. Four foil gauges and one or more fiber-optic gauges are mounted on each of the tank-supporting legs. An additional fiber-optic gauge is mounted on an object, made of the same material as that of the tank-supporting legs, that is not subjected to any mechanical load. The reading obtained by the additional fiber-optic gauge is used to compensate for apparent strains caused by changes in temperature. The signals from the foil and fiber-optic gauges are conditioned, then digitized for input to a computer. As the tank is filled or emptied, the deformation in each leg increases or decreases, respectively. Measured deformations of all legs are added to obtain a composite deformation indicative of the change in weight of the tank plus fluid. An initial calibration is performed by recording data at two points (usually, empty and full) for which the mass or weight of fluid is known. It is assumed that the deformations are elastic, so that the line passing through the two points can be used as a calibration curve of mass (or weight) of fluid versus deformation. At the time of reporting the information for this article, a set of foil gauges had been tested on the supports of a 500-gallon (1,900-liter) tank. The gauges were found to be capable of measuring the deformations (up to 22 microstrain) that occurred during filling and emptying the tank. The fluid masses calculated from the gauge readings were found to be accurate within 4.5 percent. It has been estimated that once the fiber-optic gauges are put into operation, it should be possible to determine fluid masses with 3 percent or less. It may be possible to increase accuracy further by increasing the signal-to-noise ratio through the use of more deformable tank supporting legs.

Figueroa, Jorge↗

NASA NTRS2008

On Certain New Methodology for Reducing Sensor and Readout Electronics Circuitry Noise in Digital Domain

NASA Hubble Space Telescope (HST) and upcoming cosmology science missions carry instruments with multiple focal planes populated with many large sensor detector arrays. These sensors are passively cooled to low temperatures for low-level light (L3) and near-infrared (NIR) signal detection, and the sensor readout electronics circuitry must perform at extremely low noise levels to enable new required science measurements. Because we are at the technological edge of enhanced performance for sensors and readout electronics circuitry, as determined by thermal noise level at given temperature in analog domain, we must find new ways of further compensating for the noise in the signal digital domain. To facilitate this new approach, state-of-the-art sensors are augmented at their array hardware boundaries by non-illuminated reference pixels, which can be used to reduce noise attributed to sensors. There are a few proposed methodologies of processing in the digital domain the information carried by reference pixels, as employed by the Hubble Space Telescope and the James Webb Space Telescope Projects. These methods involve using spatial and temporal statistical parameters derived from boundary reference pixel information to enhance the active (non-reference) pixel signals. To make a step beyond this heritage methodology, we apply the NASA-developed technology known as the Hilbert- Huang Transform Data Processing System (HHT-DPS) for reference pixel information processing and its utilization in reconfigurable hardware on-board a spaceflight instrument or post-processing on the ground. The methodology examines signal processing for a 2-D domain, in which high-variance components of the thermal noise are carried by both active and reference pixels, similar to that in processing of low-voltage differential signals and subtraction of a single analog reference pixel from all active pixels on the sensor. Heritage methods using the aforementioned statistical parameters in the digital domain (such as statistical averaging of the reference pixels themselves) zeroes out the high-variance components, and the counterpart components in the active pixels remain uncorrected. This paper describes how the new methodology was demonstrated through analysis of fast-varying noise components using the Hilbert-Huang Transform Data Processing System tool (HHT-DPS) developed at NASA and the high-level programming language MATLAB (Trademark of MathWorks Inc.), as well as alternative methods for correcting for the high-variance noise component, using an HgCdTe sensor data. The NASA Hubble Space Telescope data post-processing, as well as future deep-space cosmology projects on-board instrument data processing from all the sensor channels, would benefit from this effort.

Kizhner, Semion↗

DOE OSTI2022

Solid-State Transformer and Hybrid Transformer With Integrated Energy Storage in Active Distribution Grids: Technical and Economic Comparison, Dispatch, and Control

Solid-state transformer (SST) and hybrid transformer (HT) are promising alternatives to the line-frequency transformer (LFT) in smart grids. The SST features medium-frequency isolation, full controllability for voltage regulation, reactive power compensation, and the capability of battery energy storage system (BESS) integration with multiport configuration. The HT has a partially-rated converter for fractional controllability and can integrate a small BESS. Fast grid-edge voltage fluctuations from increased solar photovoltaic (PV) and electric vehicle (EV) penetration are difficult to manage for mechanical load tap changers. Hence, along with the trend towards more BESS in the grid, the controllability and the storage integration capability of the SST and HT are of strong interest. However, a review of literature shows existing SST and HT research is mostly at converter level, while system-level assessments are scarce. Assessing technical and economic impacts is critical to understanding the benefits and role of the SST and HT to guide future research, which is presented for the first time in this article. Experimental results from medium-voltage (MV) SST and MV HT prototypes are shown to confirm equipment-level feasibility, where the voltage controllability waveforms of a MV HT prototype are reported for the first time. Comparative simulations are performed on a modified IEEE 34-bus system. Here, a grid-model-less decentralized grid-edge voltage control method and a day-ahead BESS dispatch method are proposed for the SST and HT. The simulations show that the SST and HT with integrated storage can host more PV, achieve peak shaving, mitigate voltage fluctuation and reverse power flow, and support energy arbitrage for operational cost reduction, as compared to the LFT. Moreover, comprehensive analyses of net present value (NPV) and internal rate of return (IRR) are performed under different installed PV capacities, HT’s partial converter ratings, and BESS capacities. Sensitivities to future cost reductions of the PV and BESS are studied. Although the NPV and IRR are currently negative, 60% capital cost reduction or 150% revenue increase will make the SST and HT economically viable in the use case studied.

14 SOLAR ENERGY↗

DOE OSTI2023

Improved joint X-ray and neutron refinement procedure in Phenix

Neutron diffraction is one of the three crystallographic techniques (X-ray, neutron and electron diffraction) used to determine the atomic structures of molecules. Its particular strengths derive from the fact that H (and D) atoms are strong neutron scatterers, meaning that their positions, and thus protonation states, can be derived from crystallographic maps. However, because of technical limitations and experimental obstacles, the quality of neutron diffraction data is typically much poorer (completeness, resolution and signal to noise) than that of X-ray diffraction data for the same sample. Further, refinement is more complex as it usually requires additional parameters to describe the H (and D) atoms. The increase in the number of parameters may be mitigated by using the `riding hydrogen' refinement strategy, in which the positions of H atoms without a rotational degree of freedom are inferred from their neighboring heavy atoms. However, this does not address the issues related to poor data quality. Therefore, neutron structure determination often relies on the presence of an X-ray data set for joint X-ray and neutron (XN) refinement. In this approach, the X-ray data serve to compensate for the deficiencies of the neutron diffraction data by refining one model simultaneously against the X-ray and neutron data sets. To be applicable, it is assumed that both data sets are highly isomorphous, and preferably collected from the same crystals and at the same temperature. However, the approach has a number of limitations that are discussed in this work by comparing four separately re-refined neutron models. To address the limitations, a new method for joint XN refinement is introduced that optimizes two different models against the different data sets. This approach is tested using neutron models and data deposited in the Protein Data Bank. The efficacy of refining models with H atoms as riding or as individual atoms is also investigated.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Analysis of the spectral vanishing viscosity method for periodic conservation laws

The convergence of the spectral vanishing method for both the spectral and pseudospectral discretizations of the inviscid Burgers' equation is analyzed. It is proven that this kind of vanishing viscosity is responsible for a spectral decay of those Fourier coefficients located toward the end of the computed spectrum; consequently, the discretization error is shown to be spectrally small independent of whether the underlying solution is smooth or not. This in turn implies that the numerical solution remains uniformly bounded and convergence follows by compensated compactness arguments.

Maday, Yvon↗

NASA NTRS1988

Redundant manipulators for momentum compensation in a micro-gravity environment

This paper is concerned with the implementation and assessment of joint motion management strategies for kinematically redundant robotic manipulators operating in the micro-gravity environment of Space Station. These robots must be capable of conducting experiments and manufacturing processes without disturbing the micro-gravity environment through base reactions/motions. The redundant degrees of freedom of the manipulator permit the inverse kinematic problem to be solved simultaneously with the minimization of a cost function. The cost function in this case is the weighted sum of the squares of the base forces and moments and is minimized over discrete time segments. The Generalized Inverse Method and Rayleigh Ritz technique are used to solve the combined optimization/inverse kinematics problem. Numerical examples include various robotic configurations and degrees of manipulator redundancy.

Quinn, R. D.↗

NASA NTRS1989

Reflector surface distortion analysis techniques (thermal distortion analysis of antennas in space)

A group of large computer programs are used to predict the farfield antenna pattern of reflector antennas in the thermal environment of space. Thermal Radiation Analysis Systems (TRASYS) is a thermal radiation analyzer that interfaces with Systems Improved Numerical Differencing Analyzer (SINDA), a finite difference thermal analysis program. The programs linked together for this analysis can now be used to predict antenna performance in the constantly changing space environment. They can be used for very complex spacecraft and antenna geometries. Performance degradation caused by methods of antenna reflector construction and materials selection are also taken into consideration. However, the principal advantage of using this program linkage is to account for distortions caused by the thermal environment of space and the hygroscopic effects of the dry-out of graphite/epoxy materials after the antenna is placed into orbit. The results of this type of analysis could ultimately be used to predict antenna reflector shape versus orbital position. A phased array antenna distortion compensation system could then use this data to make RF phase front corrections. That is, the phase front could be adjusted to account for the distortions in the antenna feed and reflector geometry for a particular orbital position.

Sharp, R.↗

NASA NTRS1977

Development of a drift-correction procedure for a direct-reading spectrometer

A procedure which provides automatic correction for drifts in the radiometric sensitivity of each detector channel in a direct-reading emission spectrometer is described. Such drifts are customarily controlled by the regular analyses of standards, which provide corrections for changes in the excitational, optical, and electronic components of the instrument. This standardization procedure, however, corrects for the optical and electronic drifts. It is a step that must be taken if the time, effort, and cost of processing standards is to be minimized. This method of radiometric drift correction uses a 1,000-W tungsten-halogen reference lamp to illuminate each detector through the same optical path as that traversed during sample analysis. The responses of the detector channels to this reference light are regularly compared with channel response to the same light intensity at the time of analytical calibration in order to determine and correct for drift. Except for placing the lamp in position, the procedure is fully automated and compensates for changes in spectral intensity due to variations in lamp current. A discussion of the implementation of this drift-correction system is included.

Chapman, G. B., II↗

NASA NTRS1987

Design of force/position controllers for manipulators

The paper presents simple methods for the design of adaptive force and position controllers for robot manipulators within the hybrid control architecture. The force controller is composed of an adaptive PID feedback controller, an auxiliary signal and a force feedforward term, and achieves tracking of desired force setpoints in the constraint directions. The position controller consists of adaptive feedback and feedforward controllers and an auxiliary signal; and accomplishes tracking of desired position trajectories in the free directions. The controllers are capable of compensating for dynamic cross-couplings that exist between the position and force control loops in the hybrid control architecture. The adaptive controllers do not require knowledge of the complex dynamic model or parameter values of the manipulator or the environment. The proposed control schemes are computationally fast and suitable for implementation in on-line control with high sampling rates.

Seraji, H.↗

NASA NTRS2003

Adaptive Gas Turbine Engine Control for Deterioration Compensation Due to Aging

This paper presents an ad hoc adaptive, multivariable controller tuning rule that compensates for a thrust response variation in an engine whose performance has been degraded though use and wear. The upset appears when a large throttle transient is performed such that the engine controller switches from low-speed to high-speed mode. A relationship was observed between the level of engine degradation and the overshoot in engine temperature ratio, which was determined to cause the thrust response variation. This relationship was used to adapt the controller. The method is shown to work very well up to the operability limits of the engine. Additionally, since the level of degradation can be estimated from sensor data, it would be feasible to implement the adaptive control algorithm on-line.

Litt, Jonathan S.↗

NASA NTRS1994

Eddy current correction in volume-localized MR spectroscopy

The quality of volume-localized magnetic resonance spectroscopy is affected by eddy currents caused by gradient switching. Eddy currents can be reduced with improved gradient systems; however, it has been suggested that the distortion due to eddy currents can be compensated for during postprocessing with a single-frequency reference signal. The authors propose modifying current techniques for acquiring the single-frequency reference signal by using relaxation weighting to reduce interference from components that cannot be eliminated by digital filtering alone. Additional sequences with T1 or T2 weighting for reference signal acquisition are shown to have the same eddy current characteristics as the original signal without relaxation weighting. The authors also studied a new eddy current correction method that does not require a single-frequency reference signal. This method uses two free induction decays (FIDs) collected from the same volume with two sequences with opposite gradients. Phase errors caused by eddy currents are opposite in these two FIDs and can be canceled completely by combining the FIDs. These methods were tested in a phantom. Eddy current distortions were corrected, allowing quantitative measurement of structures such as the -CH = CH- component, which is otherwise undetectable.

NASA Discipline Musculoskeletal↗

NASA NTRS2003

Interferometer for Measuring Displacement to Within 20 pm

An optical heterodyne interferometer that can be used to measure linear displacements with an error <=20 pm has been developed. The remarkable accuracy of this interferometer is achieved through a design that includes (1) a wavefront split that reduces (relative to amplitude splits used in other interferometers) self interference and (2) a common-optical-path configuration that affords common-mode cancellation of the interference effects of thermal-expansion changes in optical-path lengths. The most popular method of displacement- measuring interferometry involves two beams, the polarizations of which are meant to be kept orthogonal upstream of the final interference location, where the difference between the phases of the two beams is measured. Polarization leakages (deviations from the desired perfect orthogonality) contaminate the phase measurement with periodic nonlinear errors. In commercial interferometers, these phase-measurement errors result in displacement errors in the approximate range of 1 to 10 nm. Moreover, because prior interferometers lack compensation for thermal-expansion changes in optical-path lengths, they are subject to additional displacement errors characterized by a temperature sensitivity of about 100 nm/K. Because the present interferometer does not utilize polarization in the separation and combination of the two interfering beams and because of the common-mode cancellation of thermal-expansion effects, the periodic nonlinear errors and the sensitivity to temperature changes are much smaller than in other interferometers

Zhao, Feng↗