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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Frequency-domain hot-wire sensor and 3D model for thermal conductivity measurements of reactive and corrosive materials at high temperatures

High temperature solids and liquids are becoming increasingly important in next-generation energy and manufacturing systems that seek higher efficiencies and lower emissions. Accurate measurements of thermal conductivity at high temperatures are required for the modeling and design of these systems, but commonly employed time-domain measurements can have errors from convection, corrosion, and ambient temperature fluctuations. Here, we describe the development of a frequency-domain hot-wire technique capable of accurately measuring the thermal conductivity of solid and molten compounds from room temperature up to 800 °C. Therefore, by operating in the frequency-domain, we can lock into the harmonic thermal response of the material and reject the influence of ambient temperature fluctuations, and we can keep the probed volume below 1 µl to minimize convection. The design of the microfabricated hot-wire sensor, electrical systems, and insulating wire coating to protect against corrosion is covered in detail. Furthermore, we discuss the development of a full three-dimensional multilayer thermal model that accounts for both radial conduction into the sample and axial conduction along the wire and the effect of wire coatings. The 3D, multilayer model facilitates the measurement of small sample volumes important for material development. A sensitivity analysis and an error propagation calculation of the frequency-domain thermal model are performed to demonstrate what factors are most important for thermal conductivity measurements. Finally, we show thermal conductivity measurements including model data fitting on gas (argon), solid (sulfur), and molten substances over a range of temperatures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Simulation of Local Error Correction of the Surface Shape by a Low-Dimensional Ion Beam

We propose an algorithm for solving the problem of local error correction of the surface shape by a low-dimensional ion beam. The algorithm presumes successive sampling running over protrusions relative to the average height aimed at searching for the optimal etching point satisfying the criterion for the reduction of the sum of derivative moduli on the etching spot. It is shown that the new approach makes it possible to considerably extend the range of spatial frequencies accessible to the action for a given dimension of an ion beam.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A composite likelihood approach for inference under photometric redshift uncertainty

ABSTRACT Obtaining accurately calibrated redshift distributions of photometric samples is one of the great challenges in photometric surveys like LSST, Euclid, HSC, KiDS, and DES. We present an inference methodology that combines the redshift information from the galaxy photometry with constraints from two-point functions, utilizing cross-correlations with spatially overlapping spectroscopic samples, and illustrate the approach on CosmoDC2 simulations. Our likelihood framework is designed to integrate directly into a typical large-scale structure and weak lensing analysis based on two-point functions. We discuss efficient and accurate inference techniques that allow us to scale the method to the large samples of galaxies to be expected in LSST. We consider statistical challenges like the parametrization of redshift systematics, discuss and evaluate techniques to regularize the sample redshift distributions, and investigate techniques that can help to detect and calibrate sources of systematic error using posterior predictive checks. We evaluate and forecast photometric redshift performance using data from the CosmoDC2 simulations, within which we mimic a DESI-like spectroscopic calibration sample for cross-correlations. Using a combination of spatial cross-correlations and photometry, we show that we can provide calibration of the mean of the sample redshift distribution to an accuracy of at least 0.002(1 + z), consistent with the LSST-Y1 science requirements for weak lensing and large-scale structure probes.

(cosmology:) large-scale structure of Universe↗
DOE OSTI2017

Development of Fusion Neutronics Methodology, Software, and Testing Facility in FDS Team

Fusion neutronics including methodology, software, experiments, etc. is studied concerning the generation, utilizing and protection of neutrons in fusion facilities. Achievements have been made in the past decades to solve the new problems fusion neutronics. However there is still some way to go such as following. Automatic modeling method based on CAD has been developed to avoid the heavy burden of manual geometry description. The pre-processing costs much time to simplify the CAD model for converting to Constructive Solid Geometry (CSG), 2D or 3D mesh based geometry. This problem has become a new focus. Deep penetration of radiation shielding is notable problem for fusion. Adaptive variance reduction methods such as Consistent Adjoint Driven Importance Sampling (CADIS) were developed to accelerate convergence. However the gap still exists between engineering requirements and current methodology. The geometry simplification, homogenizing based tally, error in nuclear data and error propagation in coupled calculation, etc., causes considerable uncertainty, which leads to 'safety factor' applied in simulation results to achieve required safety margin. It can significantly raise the cost and even makes it impractical to initiate the fusion facilities. Uncertainty qualification, error analysis and error propagation problem should be studied. New methodology and software should be validated. For example the (n,p), (n,a), (n,t) cross section of Cu, Fe, W, Ni which is important for evaluation of material radiation damage is absent. The validation of neutronics properties of special components such as first wall, blanket and coil are needed. The D-T fusion neutron generator can directly represent the neutron environment in fusion reactors. However the neutron yield is several orders of magnitudes lower than requirements. To resolve obstacles in fusion neutronics, broad improvements of methodology, software and testing facility have been achieved by FDS Team in recent years and the main progress was introduced in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2014

Background Error Covariance Estimation Using Information from a Single Model Trajectory with Application to Ocean Data Assimilation

An attractive property of ensemble data assimilation methods is that they provide flow dependent background error covariance estimates which can be used to update fields of observed variables as well as fields of unobserved model variables. Two methods to estimate background error covariances are introduced which share the above property with ensemble data assimilation methods but do not involve the integration of multiple model trajectories. Instead, all the necessary covariance information is obtained from a single model integration. The Space Adaptive Forecast error Estimation (SAFE) algorithm estimates error covariances from the spatial distribution of model variables within a single state vector. The Flow Adaptive error Statistics from a Time series (FAST) method constructs an ensemble sampled from a moving window along a model trajectory.SAFE and FAST are applied to the assimilation of Argo temperature profiles into version 4.1 of the Modular Ocean Model (MOM4.1) coupled to the GEOS-5 atmospheric model and to the CICE sea ice model. The results are validated against unassimilated Argo salinity data. They show that SAFE and FAST are competitive with the ensemble optimal interpolation (EnOI) used by the Global Modeling and Assimilation Office (GMAO) to produce its ocean analysis. Because of their reduced cost, SAFE and FAST hold promise for high-resolution data assimilation applications.

Error Covariance↗
DOE OSTI2024

Studying the Collective Functional Response of a Receptor in Alchemical Ligand Binding Free Energy Simulations with Accelerated Solvation Layer Dynamics

Ligand binding free energy simulations (LB-FES) that involve sampling of protein functional conformations have been longstanding challenges in research on molecular recognition. Particularly, modeling of the conformational transition pathway and design of the heuristic biasing mechanism are severe bottlenecks for the existing enhanced configurational sampling (ECS) methods. Inspired by the key role of hydration in regulating conformational dynamics of macromolecules, this report proposes a novel ECS approach that facilitates binding-associated structural dynamics by accelerated hydration transitions in combination with the lambda-exchange of free energy perturbation (FEP). Further, two challenging protein-ligand binding processes involving large configurational transitions of the receptor are studied, with hydration transitions at binding sites accelerated by Hamiltonian-simulated annealing of the hydration layer. Without the need for pathway analysis or ad hoc barrier flattening potential, LB-FES were performed with FEP/lambda-exchange molecular dynamics simulation at a minor overhead for annealing of the hydration layer. The LB-FES studies showed that the accelerated rehydration significantly enhances the collective conformational transitions of the receptor, and convergence of binding affinity calculations is obtained at a sweet-spot simulation time scale. Alchemical LB-FES with the proposed ECS strategy is free from the effort of trial and error for the setup and realizes efficient on-the-fly sampling for the collective functional response of the receptor and bound water and therefore presents a practical approach to high-throughput screening in drug discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Sampling Speeds from a Relativistic Maxwell Distribution

Monte Carlo calculations in astrophysics or other fields of physics involving hot ionized gases may require sarmpling from a relativistic Maxwellian distribution. Winslow 4 described a previously unpublished technique attributed to Von Neumann for such sampling. The technique, based on an approxir.,ation to the relativistic equation, seems adequate 2 for temperatures up to about 1/4 the rest energy (i.e., kT$\sim\atop{<}$ $\frac{mc^2}{4}$) except for inherent inaccuracies in the high energy tail. For much higher temperatures, the approximation is clearly in error. It is the purpose of this paper to give a method for sampling from a relativistic Maxwellian distribution which is mathematically exact and valid for all temperatures. Most (or all) the mathematics involved is scattered through the literature on probability theory. But since many of the arguments are perhaps new to the prospective Monte Carlo user, we have included, for the sake of completeness, a good deal of mathematical rigor in the report.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Background Error Covariance Estimation using Information from a Single Model Trajectory with Application to Ocean Data Assimilation into the GEOS-5 Coupled Model

An attractive property of ensemble data assimilation methods is that they provide flow dependent background error covariance estimates which can be used to update fields of observed variables as well as fields of unobserved model variables. Two methods to estimate background error covariances are introduced which share the above property with ensemble data assimilation methods but do not involve the integration of multiple model trajectories. Instead, all the necessary covariance information is obtained from a single model integration. The Space Adaptive Forecast error Estimation (SAFE) algorithm estimates error covariances from the spatial distribution of model variables within a single state vector. The Flow Adaptive error Statistics from a Time series (FAST) method constructs an ensemble sampled from a moving window along a model trajectory. SAFE and FAST are applied to the assimilation of Argo temperature profiles into version 4.1 of the Modular Ocean Model (MOM4.1) coupled to the GEOS-5 atmospheric model and to the CICE sea ice model. The results are validated against unassimilated Argo salinity data. They show that SAFE and FAST are competitive with the ensemble optimal interpolation (EnOI) used by the Global Modeling and Assimilation Office (GMAO) to produce its ocean analysis. Because of their reduced cost, SAFE and FAST hold promise for high-resolution data assimilation applications.

Data Assimilation↗
NASA NTRS1999

"Tools For Analysis and Visualization of Large Time- Varying CFD Data Sets"

During the four years of this grant (including the one year extension), we have explored many aspects of the visualization of large CFD (Computational Fluid Dynamics) datasets. These have included new direct volume rendering approaches, hierarchical methods, volume decimation, error metrics, parallelization, hardware texture mapping, and methods for analyzing and comparing images. First, we implemented an extremely general direct volume rendering approach that can be used to render rectilinear, curvilinear, or tetrahedral grids, including overlapping multiple zone grids, and time-varying grids. Next, we developed techniques for associating the sample data with a k-d tree, a simple hierarchial data model to approximate samples in the regions covered by each node of the tree, and an error metric for the accuracy of the model. We also explored a new method for determining the accuracy of approximate models based on the light field method described at ACM SIGGRAPH (Association for Computing Machinery Special Interest Group on Computer Graphics) '96. In our initial implementation, we automatically image the volume from 32 approximately evenly distributed positions on the surface of an enclosing tessellated sphere. We then calculate differences between these images under different conditions of volume approximation or decimation.

Wilhelms, Jane↗
NASA NTRS2000

Constraints on Cosmological Parameters From The Sunyaev-Zel'dovich Effect and Thermal Bremsstrahlung

We discuss the possibility of constraining cosmological parameters using the Sunyaev-Zel'dovich (SZ) effect and thermal bremsstrahlung caused by intra-cluster gas in clusters of galaxies. The new generation of X-ray satellites and ground based interferometers dedicated to SZ observations will enable one to reduce uncertainties in these measurements, and thus make this method potentially quite promising in the near future. The importance of this method is that, unlike most other methods, it is based on physical principles, no 'standard candles' or 'rulers' needed. We estimate the accuracy achievable in the determination of the matter density, OMEGA(sub m), the cosmological constant, OMEGA(sub LAMBDA), and the Hubble constant, h, using the redshift dependence of the angular diameter distance derived from observations in the near future. We demonstrate that constraints from the angular diameter distance are orthogonal to those from Cosmic Microwave Background (CMB) fluctuations in the parameter space defined by OMEGA(sub m), OMEGA(sub LAMBDA), and h. Assuming a statistical error of five percent in the angular diameter distance for each cluster in a sample of five hundred clusters, we show that the redshift dependence of the angular diameter distance combined with constraints from CMB fluctuations can put stringent constraints on OMEGA(sub m) (+/- 0.03), OMEGA(sub LAMBDA) (+/- 0.03) and h (+/- 0.03, 3(sigma) errors). We also show that, with as few as 50 clusters between redshifts 0.01 and 1.5 with an assumed 10% statistical error in the angular diameter distance determination, one can distinguish between models with zero cosmological constant and spatially flat models with a cosmological constant with high confidence level (independently from the supernova results) and put meaningful constraints on OMEGA(sub m) (+/- 0.01), OMEGA(sub LAMBDA) (+/- 0.01) and h (+/- 0.01, 3(sigma) errors). With the expected advances in observational technology, we will be limited by systematic errors. We discuss the sources of systematic errors and how they can be reduced.

Molnar, S. M.↗
NASA NTRS2016

Uncertainties in Coastal Ocean Color Products: Impacts of Spatial Sampling

With increasing demands for ocean color (OC) products with improved accuracy and well characterized, per-retrieval uncertainty budgets, it is vital to decompose overall estimated errors into their primary components. Amongst various contributing elements (e.g., instrument calibration, atmospheric correction, inversion algorithms) in the uncertainty of an OC observation, less attention has been paid to uncertainties associated with spatial sampling. In this paper, we simulate MODIS (aboard both Aqua and Terra) and VIIRS OC products using 30 m resolution OC products derived from the Operational Land Imager (OLI) aboard Landsat-8, to examine impacts of spatial sampling on both cross-sensor product intercomparisons and in-situ validations of R(sub rs) products in coastal waters. Various OLI OC products representing different productivity levels and in-water spatial features were scanned for one full orbital-repeat cycle of each ocean color satellite. While some view-angle dependent differences in simulated Aqua-MODIS and VIIRS were observed, the average uncertainties (absolute) in product intercomparisons (due to differences in spatial sampling) at regional scales are found to be 1.8%, 1.9%, 2.4%, 4.3%, 2.7%, 1.8%, and 4% for the R(sub rs)(443), R(sub rs)(482), R(sub rs)(561), R(sub rs)(655), Chla, K(sub d)(482), and b(sub bp)(655) products, respectively. It is also found that, depending on in-water spatial variability and the sensor's footprint size, the errors for an in-situ validation station in coastal areas can reach as high as +/- 18%. We conclude that a) expected biases induced by the spatial sampling in product intercomparisons are mitigated when products are averaged over at least 7 km × 7 km areas, b) VIIRS observations, with improved consistency in cross-track spatial sampling, yield more precise calibration/validation statistics than that of MODIS, and c) use of a single pixel centered on in-situ coastal stations provides an optimal sampling size for validation efforts. These findings will have implications for enhancing our understanding of uncertainties in ocean color retrievals and for planning of future ocean color missions and the associated calibration/validation exercises.

Coastal ocean color↗
NASA NTRS1974

Measurement of density and porosity of lunar rocks based on samples of Luna 16 automatic lunar station

Three fragments of holocrystalline igneous rocks of the gabbro type, weighing 30 to 50 mg each, were investigated. The density of the fragments was established with a mercury pycnometer and was found to be 3.05 to 3.12 g/cu cm, with a relative error not more than 2 percent. The porosity was found for the difference between the volumes determined with the mercury and with the gas techniques; for all three samples together it was 13 percent, and the error of determination was 70 percent owing to the small volumes. It can be anticipated that the porosity of the rock in bulk will be higher than the value obtained based on small fragments. The porosity of lunar rocks can markedly affect the isostatic distribution of rocks and must be taken into account when developing models of lunar structure.

Volynets, V. F.↗
DOE OSTI2022

Adversarial autoencoder ensemble for fast and probabilistic reconstructions of few-shot photon correlation functions for solid-state quantum emitters

Second-order photon correlation measurements [g (2) (τ) functions] are widely used to classify single-photon emission purity in quantum emitters or to measure the multiexciton quantum yield of emitters that can simultaneously host multiple excitations – such as quantum dots – by evaluating the value of g (2) (τ = 0). Accumulating enough photons to accurately calculate this value is time consuming and could be accelerated by fitting of few-shot photon correlations. Here, we develop an uncertainty-aware, deep adversarial autoencoder ensemble (AAE) that reconstructs noise-free g (2) (τ) functions from noise-dominated, few-shot inputs. The model is trained with simulated g (2) (τ) functions that are facilely generated by Poisson sampling time bins. The AAE reconstructions are performed orders-of-magnitude faster, with reconstruction errors and estimates of g (2) (τ = 0) that are lower in variance and similar in accuracy compared to Maximum likelihood estimation and Levenberg-Marquardt least-squares fitting approaches, for simulated and experimentally measured few-shot g (2) (τ) functions (~100 two-photon events) of InP/ZnS/ZnSe and CdS/CdSe/CdS quantum dots. The deep-ensemble model comprises eight individual autoencoders, allowing for probabilistic reconstructions of noise-free g (2) (τ) functions, and we show that the predicted variance scales inversely with number of shots, with comparable uncertainties to computationally intensive Markov chain Monte Carlo sampling. Furthermore, this work demonstrates the advantage of machine learning models to perform uncertainty-aware, fast, and accurate reconstructions of simple Poisson-distributed photon correlation functions, allowing for on-the-fly reconstructions and accelerated materials characterization of solid-state quantum emitters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Performance of the Dsa's Subcarrier Demodulation Digital Loop

The subcarrier demodulation digital loop is part of the baseband assembly. The subcarrier demodulator is a fourth-order Costas-type loop corresponding to a type 2 analog loop in terms of steady state response. The expected value and the variance of the error signal are determined as functions of the input SNR. A Nyquist sampling rate of the input signal is assumed. From the integro-difference equations a mixed s/z domain block diagram is obtained. From the loop's transfer function a set of gains for the loop filter is obtained. Also, a set of state equations is presented for future reference. Finally, the noise-equivalent bandwidths are calculated for normalized computation times of 0, 0.25 and 0.5. The subcarrier demodulator analyzed tracks a parabolic phase input with finite steady state error. Since at each update instant the loop gains are adjusted to compensate for the variations in SNR of the input signal, the noise-equivalent bandwidth is maintained constant.

Simon, M. K.↗
DOE OSTI2020

Improved performance of stellarator coil design optimization

Following up on earlier work which demonstrated an improved numerical stellarator coil design optimization performance by the use of stochastic optimization (Lobsien et al., Nucl. Fusion, vol. 58 (10), 2018, 106013), it is demonstrated here that significant further improvements can be made – lower field errors and improved robustness – for a Wendelstein 7-X test case. This is done by increasing the sample size and applying fully three-dimensional perturbations, but most importantly, by changing the design sequence in which the optimization targets are applied: optimization for field error is conducted first, with coil shape penalties only added to the objective function at a later step in the design process. A robust, feasible coil configuration with a local maximum field error of 3.66 % and an average field error of 0.95 % is achieved here, as compared to a maximum local field error of 6.08 % and average field error of 1.56 % found in our earlier work. These new results are compared to those found without stochastic optimization using the FOCUS and ONSET suites. The relationship between local minima in the optimization space and coil shape penalties is also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

Computer modeling of the sensitivity of a laser water vapor sensor to variations in temperature and air speed

Currently, there is disagreement among existing methods of determining atmospheric water vapor concentration at dew-points below -40 C. A major source of error is wall effects which result from the necessity of bringing samples into the instruments. All of these instruments also have response times on the order of seconds. NASA Langley is developing a water vapor sensor which utilizes the absorption of the infrared radiation produced by a diode laser to estimate water vapor concentration. The laser beam is directed through an aircraft window to a retroreflector located on an engine. The reflected beam is detected by an infrared detector located near the laser. To maximize signal to noise, derivative signals are analyzed. By measuring the 2f/DC signal and correcting for ambient temperature, atmospheric pressure and air speed (which results in a Doppler shifting of the laser beam), the water vapor concentration can be retrieved. Since this is an in situ measurement there are no wall effects and measurements can be made at a rate of more than 20 per second. This allows small spatial variations of water vapor to be studied. In order to study the sensitivity of the instrument to variations in temperature and air speed, a computer program which generated the 2f, 3f, 4f, DC and 2f/DC signals of the instrument as a function of temperature, pressure and air speed was written. This model was used to determine the effect of errors in measurement of the temperature and air speed on the measured water vapor concentration. Future studies will quantify the effect of pressure measurement errors, which are expected to be very small. As a result of these studied, a retrieval algorithm has been formulated, and will be applied to data taken during the PEM-West atmospheric science field mission. Spectroscopic studies of the water vapor line used by the instrument will be used to refine this algorithm. To prepare for these studies, several lasers have been studied to determine their output frequency range and power.

Tucker, George F.↗
NASA NTRS2008

Coaxial Electric Heaters

Coaxial electric heaters have been conceived for use in highly sensitive instruments in which there are requirements for compact heaters but stray magnetic fields associated with heater electric currents would adversely affect operation. Such instruments include atomic clocks and magnetometers that utilize heated atomic-sample cells, wherein stray magnetic fields at picotesla levels could introduce systematic errors into instrument readings. A coaxial electric heater is essentially an axisymmetric coaxial cable, the outer conductor of which is deliberately made highly electrically resistive so that it can serve as a heating element. As in the cases of other axisymmetric coaxial cables, the equal magnitude electric currents flowing in opposite directions along the inner and outer conductors give rise to zero net magnetic field outside the outer conductor. Hence, a coaxial electric heater can be placed near an atomic-sample cell or other sensitive device. A coaxial electric heater can be fabricated from an insulated copper wire, the copper core of which serves as the inner conductor. For example, in one approach, the insulated wire is dipped in a colloidal graphite emulsion, then the emulsion-coated wire is dried to form a thin, uniform, highly electrically resistive film that serves as the outer conductor. Then the film is coated with a protective layer of high-temperature epoxy except at the end to be electrically connected to the power supply. Next, the insulation is stripped from the wire at that end. Finally, electrical leads from the heater power supply are attached to the exposed portions of the wire and the resistive film. The resistance of the graphite film can be tailored via its thickness. Alternatively, the film can be made from an electrically conductive paint, other than a colloidal graphite emulsion, chosen to impart the desired resistance. Yet another alternative is to tailor the resistance of a graphite film by exploiting the fact that its resistance can be changed permanently within about 10 percent by heating it to a temperature above 300 C. A coaxial heater, with electrical leads attached, that has been bent into an almost full circle for edge heating of a circular window is shown. (In the specific application, there is a requirement for a heated cell window, through which an optical beam enters the cell.)

Strekalov, Dmitry↗