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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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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Development of a machine-learning-based ionic-force correction model for quantum molecular dynamic simulations of warm dense matter

In this work Δ learning is used to map orbital-free density functional theory (OF-DFT) ionic forces to the corresponding Kohn-Sham (KS) DFT ionic forces. The development of the approximate force difference in terms of the ion positions is constructed and serves as a stand in for the ground truth force difference. Descriptor vectors for ion configurations are constructed using all distance between ions in conjunction with an indexing based on a nearest neighbor ranking. It is demonstrated that such a scheme of descriptors can uniquely describe an ionic configuration up to a rotation and reflection when no ambiguity in the nearest neighbor ranking exists. How to handle the case when an ambiguity exists in the nearest neighbor ranking is discussed. As a proof of principle, the model is trained and tested on warm dense hydrogen at temperatures between 1 and 15 eV. Once tested, the model was used to perform molecular dynamic simulations of warm dense hydrogen. Furthermore, the resulting energies and pressures are within 1% and 2% of their respective target KS values.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Cross-sectional transport imaging in a multijunction solar cell

Here, we combine a highly localized electron-beam point source excitation to generate excess free carriers with the spatial resolution of optical near-field imaging to map recombination in a cross-sectioned multijunction (Ga 0.5 In 0.5 P/GaIn 0.01 As/Ge) solar cell. By mapping the spatial variations in emission of light for fixed generation (as opposed to traditional cathodoluminescence (CL), which maps integrated emission as a function of position of generation), it is possible to directly monitor the motion of carriers and photons. We observe carrier diffusion throughout the full width of the middle (GaInAs) cell, as well as luminescent coupling from point source excitation in the top cell GaInP to the middle cell. Supporting CL and near-field photoluminescence (PL) measurements demonstrate the excitation-dependent Fermi level splitting effects that influence cross-sectioned spectroscopy results, as well as transport limitations on the spatial resolution of conventional cross-sectional far-field measurements.

14 SOLAR ENERGY↗
DOE OSTI2016

WE-AB-209-07: Explicit and Convex Optimization of Plan Quality Metrics in Intensity-Modulated Radiation Therapy Treatment Planning

Purpose: To formulate objective functions of a multicriteria fluence map optimization model that correlate well with plan quality metrics, and to solve this multicriteria model by convex approximation. Methods: In this study, objectives of a multicriteria model are formulated to explicitly either minimize or maximize a dose-at-volume measure. Given the widespread agreement that dose-at-volume levels play important roles in plan quality assessment, these objectives correlate well with plan quality metrics. This is in contrast to the conventional objectives, which are to maximize clinical goal achievement by relating to deviations from given dose-at-volume thresholds: while balancing the new objectives means explicitly balancing dose-at-volume levels, balancing the conventional objectives effectively means balancing deviations. Constituted by the inherently non-convex dose-at-volume measure, the new objectives are approximated by the convex mean-tail-dose measure (CVaR measure), yielding a convex approximation of the multicriteria model. Results: Advantages of using the convex approximation are investigated through juxtaposition with the conventional objectives in a computational study of two patient cases. Clinical goals of each case respectively point out three ROI dose-at-volume measures to be considered for plan quality assessment. This is translated in the convex approximation into minimizing three mean-tail-dose measures. Evaluations of the three ROI dose-at-volume measures on Pareto optimal plans are used to represent plan quality of the Pareto sets. Besides providing increased accuracy in terms of feasibility of solutions, the convex approximation generates Pareto sets with overall improved plan quality. In one case, the Pareto set generated by the convex approximation entirely dominates that generated with the conventional objectives. Conclusion: The initial computational study indicates that the convex approximation outperforms the conventional objectives in aspects of accuracy and plan quality.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

WE-FG-202-12: Investigation of Longitudinal Salivary Gland DCE-MRI Changes

Purpose: To determine the correlation between dose and changes through treatment in dynamic contrast enhanced (DCE) MRI voxel parameters (Ktrans, kep, Ve, and Vp) within salivary glands of head and neck oropharyngeal squamous cell carcinoma (HNSCC) patients. Methods: 17 HNSCC patients treated with definitive radiation therapy completed DCE-MRI scans on a 3T scanner at pre-treatment, mid-treatment, and post-treatment time points. Mid-treatment and post-treatment DCE images were deformably registered to pre-treatment DCE images (Velocity software package). Pharmacokinetic analysis of the DCE images used a modified Tofts model to produce parameter maps with an arterial input function selected from each patient’s perivertebral space on the image (NordicICE software package). In-house software was developed for voxel-by-voxel longitudinal analysis of the salivary glands within the registered images. The planning CT was rigidly registered to the pre-treatment DCE image to obtain dose values in each voxel. Voxels within the lower and upper dose quartiles for each gland were averaged for each patient, then an average of the patients’ means for the two quartiles were compared. Dose-relationships were also assessed by Spearman correlations between dose and voxel parameter changes for each patient’s gland. Results: Changes in parameters’ means between time points were observed, but inter-patient variability was high. Ve of the parotid was the only parameter that had a consistently significant longitudinal difference between dose quartiles. The highest Spearman correlation was Vp of the sublingual gland for the change in the pre-treatment to mid-treatment values with only a ρ=0.29. Conclusion: In this preliminary study, there was large inter-patient variability in the changes of DCE voxel parameters with no clear relationship with dose. Additional patients may reduce the uncertainties and allow for the determination of the existence of parameter and dose relationships.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

MIONet: Learning Multiple-Input Operators via Tensor Product

As an emerging paradigm in scientific machine learning, neural operators aim to learn operators, via neural networks, that map between infinite-dimensional function spaces. Several neural operators have been recently developed. However, all the existing neural operators are only designed to learn operators defined on a single Banach space; i.e., the input of the operator is a single function. Here, for the first time, we study the operator regression via neural networks for multiple-input operators defined on the product of Banach spaces. We first prove a universal approximation theorem of continuous multiple-input operators. We also provide a detailed theoretical analysis including the approximation error, which provides guidance for the design of the network architecture. Based on our theory and a low-rank approximation, we propose a novel neural operator, MIONet, to learn multiple-input operators. MIONet consists of several branch nets for encoding the input functions and a trunk net for encoding the domain of the output function. Here, we demonstrate that MIONet can learn solution operators involving systems governed by ordinary and partial differential equations. In our computational examples, we also show that we can endow MIONet with prior knowledge of the underlying system, such as linearity and periodicity, to further improve accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Compressor is A Sensor: A Universal Refrigerant Charge Fault Detection and Diagnostics Method Based on Pump Down Operation

The primary goal of this report is to develop a universal charge fault detection method that requires only a few experimental data with high prediction accuracy. Currently, pump-down operations is typical practices by HVAC technicians when they need to open the refrigerant circuit to make a repair. In addition, compressors have a built-in low-pressure cut-off protection function, and the compressor performance maps are commonly available from manufacturers. The new charge fault detection and diagnostics method innovatively utilizes the typical pump down operation, the compressor’s low-pressure cut-off protection, and the compressor performance map. It does not require any geometry information of heat exchangers, refrigerant lines, or charge buffers.

42 ENGINEERING↗
DOE OSTI2020

US East Coast synthetic aperture radar wind atlas for offshore wind energy

We present the first synthetic aperture radar (SAR) offshore wind atlas of the US East Coast from Georgia to the Canadian border. Images from RADARSAT-1, Envisat, and Sentinel-1A/B are processed to wind maps using the geophysical model function (GMF) CMOD5.N. Extensive comparisons with 6008 collocated buoy observations of the wind speed reveal that biases of the individual systems range from -0.8 to 0.6 m s -1 . Unbiased wind retrievals are crucial for producing an accurate wind atlas, and intercalibration of the SAR observations is therefore applied. Wind retrievals from the intercalibrated SAR observations show biases in the range of to -0.2 to 0.0 m s -1 , while at the same time improving the root-mean-squared error from 1.67 to 1.46 m s -1 . The intercalibrated SAR observations are, for the first time, aggregated to create a wind atlas at the height 10 m a.s.l. (above sea level). The SAR wind atlas is used as a reference to study wind resources derived from the Wind Integration National Dataset Toolkit (WTK), which is based on 7 years of modelling output from the Weather Research and Forecasting (WRF) model. Comparisons focus on the spatial variation in wind resources and show that model outputs lead to lower coastal wind speed gradients than those derived from SAR. Areas designated for offshore wind development by the Bureau of Ocean Energy Management are investigated in more detail; the wind resources in terms of the mean wind speed show spatial variations within each designated area between 0.3 and 0.5 m s -1 for SAR and less than 0.2m s -1 for the WTK. Our findings indicate that wind speed gradients and variations might be underestimated in mesoscale model outputs along the US East Coast.

17 WIND ENERGY↗
DOE OSTI2024

Data Files for P. Mai et al., "Fluctuating charge-density-wave correlations in the three-band Hubbard model" (2024)

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

cuprates↗
NASA NTRS1972

Photogrammetry and altimetry. Part A: Apollo 16 laser altimeter

The laser altimeter measures precise altitudes of the command and service module above the lunar surface and can function either with the metric (mapping) camera or independently. In the camera mode, the laser altimeter ranges at each exposure time, which varies between 20 and 28 sec (i.e., 30 to 43 km on the lunar surface). In the independent mode, the laser altimeter ranges every 20 sec. These altitude data and the spacecraft attitudes that are derived from simultaneous stellar photography are used to constrain the photogrammetric reduction of the lunar surface photographs when cartographic products are generated. In addition, the altimeter measurements alone provide broad-scale topographic relief around the entire circumference of the moon. These data are useful in investigating the selenodetic figure of the moon and may provide information regarding gravitational anomalies on the lunar far side.

Wollenhaupt, W. R.↗
NASA NTRS1981

Underground coal mining section data

A set of tables which display the allocation of time for ten personnel and eight pieces of underground coal mining equipment to ten function categories is provided. Data from 125 full shift time studies contained in the KETRON database was utilized as the primary source data. The KETRON activity and delay codes were mapped onto JPL equipment, personnel and function categories. Computer processing was then performed to aggregate the shift level data and generate the matrices. Additional, documented time study data were analyzed and used to supplement the KETRON databased. The source data including the number of shifts are described. Specific parameters of the mines from which there data were extracted are presented. The result of the data processing including the required JPL matrices is presented. A brief comparison with a time study analysis of continuous mining systems is presented. The procedures used for processing the source data are described.

Gabrill, C. P.↗
NASA NTRS1982

Barriers and dispersal surfaces in minimum-time interception

Minimum time interception of a target moving in a horizontal plane is analyzed as a one-player differential game. Dispersal points and points on the barrier are located for a class of pursuit evasion and interception problems. These points are determined by constructing cross sections of the isochrones and hence obtaining the barrier, dispersal, and control level surfaces. The game solution maps the controls as a function of the state within the capture region.

Rajan, N.↗
NASA NTRS1981

Flow aerodynamics modeling of an MHD swirl combustor - Calculations and experimental verification

The paper describes a computer code for calculating the flow dynamics of a constant-density flow in the second-stage trumpet shaped nozzle section of a two-stage MHD swirl combustor for application to a disk generator. The primitive pressure-velocity variable, finite-difference computer code has been developed for the computation of inert nonreacting turbulent swirling flows in an axisymmetric MHD model swirl combustor. The method and program involve a staggered grid system for axial and radial velocities, and a line relaxation technique for the efficient solution of the equations. The code produces as output the flow field map of the nondimensional stream function, axial and swirl velocity. It was found that the best location for seed injection to obtain a uniform distribution at the combustor exit is in the central location for seed injected at the entrance to the second stage combustor.

Gupta, A. K.↗
NASA NTRS1982

Flow aerodynamics modeling of an MHD swirl combustor - Calculations and experimental verification

This paper describes a computer code for calculating the flow dynamics of constant density flow in the second stage trumpet shaped nozzle section of a two stage MHD swirl combustor for application to a disk generator. The primitive pressure-velocity variable, finite difference computer code has been developed to allow the computation of inert nonreacting turbulent swirling flows in an axisymmetric MHD model swirl combustor. The method and program involve a staggered grid system for axial and radial velocities, and a line relaxation technique for efficient solution of the equations. Turbulence simulation is by way of a two-equation Kappa-epsilon model. The code produces as output the flowfield map of the nondimensional stream function, axial, and swirl velocity. Good agreement was obtained between the theoretical predictions and the qualitative experimental results. The best seed injector location for uniform seed distribution at combustor exit is with injector located centrally on the combustor axis at entrance to the second stage combustor.

Gupta, A. K.↗
NASA NTRS1983

Spectrophotometry of the broad absorption-line QSO PHL 5200

Spectrophotometric observations of PHL 5200 conducted from 1974 to 1979 are presented. The semiforbidden C III 1909 and Mg II 2799 emission lines give an emission redshift of 1.981 + or - 0.002 using the peak of the profile. The semiforbidden C III 1909/C IV 1549 emission line ratio, after correction for absorption, is more than the average for normal quasars. In addition, the spectrum shows more structure between C IV 1549 emission and semiforbidden C III 1909 emission than in the case of normal quasars. The absorption profiles are investigated by using symmetrical logarithmic profiles to model the emission lines. The residual intensities at different wavelengths in the absorption troughs are employed to map optical depth as a function of velocity, assuming that the absorption region covers a small part of the sky as seen from the central source. Spectra from five observing seasons are compared, and no apparent changes in the C IV and Si IV absorption troughs are found.

Junkkarinen, V. T.↗
NASA NTRS1983

Analysis of spiral-groove face seals for liquid oxygen

Analyses and predicted performance of a 50-mm diameter, spiral-groove face seal to seal liquid oxygen at 5.17 MPa pressure, and operating at surface speeds of 183 m/s are described. The pressure-balanced spiral-groove concept is introduced that circulates spiral-groove flow independent of leakage flow. Independent flow paths preclude overheating from vaporization and consequent flow blockage. The analysis accounts for fluid turbulence and inertia, thermoelastic distortions, and dynamic response. An operating-range map was developed as a function of speed and pressure. The fluid-film analysis is summarized in the Appendix.

Shapiro, W.↗
NASA NTRS1983

Design analysis of Rayleigh-step floating-ring seals

The analysis and design of a 50-mm diameter floating-ring helium buffer seal are described. The seal rings incorporated Rayleigh-step lift pads to provide hydrodynamic forces to separate the rings from the shaft. Maximum surface speed is 183 m/s (600 fps) and maximum buffer gas pressure is 1389 kPa (200 psia). An operating range map was computed as a function of speed and pressure. Contradictory problems arise due to excessive friction preventing ring tracking at low-speed, high-pressure conditions and insufficent friction to retard inertia driven motions at high-speed, low-pressure conditions. Steady-state and dynamic analyses and performance are described, as well as the results of thermal studies.

Artiles, A.↗
NASA NTRS1983

The NASA data systems standardization program - Rationale and scope

A simple, top level logical reference model of the NASA Space Transportation System's end-to-end data system is being developed which can identify the functions and services of the system. Each function or service may be mapped into specific physical subsystems, so that interface relationships are evident and 'standard' protocols may be identified for development. By means of this interface standardization, subsystems can be designed not only independently and in parallel, but with confidence that when the subsystems are aggregated, the end-to-end system will operate efficiently and at low cost. This standardization effort has thus far been principally directed toward space-to-ground communications links.

Smylie, R. E.↗