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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 361 records · Page 20

A multi-backend autotuning study of feature selection on GPUs

Abstract Feature selection is an important step in machine learning that can benefit from GPU acceleration. As the number of GPU vendors increases, it is imperative to adapt algorithms such as the minimum Redundancy Maximum Relevance (mRMR) feature selection method to different backends that support several GPU architectures. This work presents a multi-backend implementation of mRMR across CUDA, HIP, and SYCL, and studies its performance when combined with Bayesian optimization and transfer learning to automatically tune execution parameters for different platforms and datasets. Our experimental results show that when tuned, CUDA and HIP achieve comparable performance on NVIDIA architectures, while SYCL exhibits a moderate performance gap. Overall, this work highlights the impact of backend choice and autotuning on GPU-accelerated feature selection and provides insights into deploying mRMR across heterogeneous environments.

Beceiro, Bieito (ORCID:0000000333014890)↗

Charge Transport in Solvated Donor–Acceptor Functionalized Peptoids: Molecular Dynamics and Rate Theory

Scalable solar-energy conversion requires photoactive materials that combine the efficiency of natural photosynthetic systems with the stability and processability needed for practical applications. Achieving reliable charge transport in soft, self-assembled organic materials remains challenging, as structural fluctuations and environmental effects strongly influence charge-transfer (CT) rates. Here, we present a broadly applicable computational framework for evaluating CT rates in the condensed phase, combining Fermi’s golden rule rate theory with inputs from all-atom molecular dynamics (MD) simulations and first-principles electronic-structure calculations. The approach does not rely on system-specific parametrization and is applicable to a wide range of soft and disordered materials. We demonstrate the applicability and usefulness of the framework on redox-active peptoids functionalized with iron–porphyrin (Fe–P) complexes, a bioinspired platform with programmable donor–acceptor units and tunable three-dimensional organization. The calculated CT rates exhibit strong sensitivity to molecular conformation, with variations spanning several orders of magnitude. This dependence is shown to arise from the pronounced variation in diabatic electronic coupling with the relative orientations and separations of the Fe–P complexes across the conformational ensemble. The framework provides a consistent route for connecting atomistic structure to CT kinetics in the condensed phase and enables analysis of structure–rate relations in organic semiconducting systems.

Charge transfer↗

Mapping Spatiotemporal Solvent Velocity from Measured Concentration Gradients in a Polarized Electrolyte

The electric-field induced motion of neutral species impedes the efficacy of electrochemical devices. By combining operando X-ray transmission measurements with continuum mechanics, we have developed a methodology for determining the velocity of neutral solvent molecules under an applied field. The X-ray transmission experiments were used to determine ion concentration profiles as a function of space and time in a polymer electrolyte. The unsteady state solvent mass balance equation was solved numerically with experimental concentration profiles to map spatiotemporal solvent velocities. We compare our experimentally derived results with predictions made with concentrated solution theory. We use the cation transference number as the only adjustable parameter to match experimental measurements of both concentration and solvent velocity. Our approach may be used to determine solvent velocity with any operando technique used to measure time-dependent ion concentration profiles.

Abdo, Emily E↗

Time-of-Flight energy measurements with BPMs

The energy of a bunched non-relativistic ion beam can be deduced from measuring the beam phases in neighboring Beam Position Monitors (BPMs). This report presents estimations on implementation of such a procedure at PIP-II H- linac being constructed at Fermilab. In part, the case when the flight time between BPMs is larger than the period of BPM frequency is considered in detail. When the absolute BPM phase calibration is not available, the BPM phase information can be used to trace deviations of the beam energy from the desired value. Such “energy deviation” parameter is operationally implemented at the transfer line between 400 MeV Linac and the Booster, and its analog is expected to be used in the transfer line from PIP-II as well.

Shemyakin, Alexander [Fermilab] (ORCID:00000001501↗

Time-of-Flight Energy Measurements With BPMs

The energy of a bunched non-relativistic ion beam can be deduced from measuring the beam phases in neighbouring Beam Position Monitors (BPMs). This report discusses implementation of such a procedure at the PIP-II H- linac being constructed at Fermilab. The case when the flight time between BPMs is longer than the period of BPM frequency is considered in more detail. When absolute BPM phase calibration is not available, the BPM phase information can be used to track deviations of the beam energy from the de-sired value. Such energy deviation parameter is operationally implemented at the transfer line between 400 MeV Linac and the Booster, and its analog is expected to be used in the transfer line from PIP-II as well.

Shemyakin, Alexander V. [Fermilab] (ORCID:00000001↗

Gyrosynchrotron radiation and its transfer in a magnetoactive plasma.

Gyrosynchrotron radiation fields from mildly relativistic electrons in a magnetoactive plasma are asymptotically calculated by using the Green tensor and the Fourier transformation. These fields consist of the two components which correspond to the ordinary and extraordinary modes. Taking into account these fields, the emissivities and the absorption coefficients from an arbitrary distribution of electrons are calculated in order to discuss the intensity, spectrum, and polarization of gyrosynchrotron radiation. In general, the transfer of electromagnetic energy takes place along a direction different from that of the wave normal since the radiation fields have a nonvanishing component along the direction of the wave normal. A consideration is given on the problem of radiative transfer in relation to the Stokes parameters.

Sakurai, K.↗

Similitude requirements for hypersonic, rarefied, nonequilibrium flow

Similitude requirements for hypersonic, rarefied flow with nonequilibrium chemistry and vibration are presented. The full Navier-Stokes equations with catalytic or noncatalytic walls and with or without slip conditions are nondimensionalized. The heat transfer coefficient is written in terms of fourteen dimensionless parameters and reduced to four by making the binary scaling assumption. Duplication of blunt and sharp nose heat transfer requires the use of air over a geometrically similar model with the same free stream velocity, wall temperature and product of free stream density and characteristic length. Estimates of this heat transfer coefficient are also presented.

Hendricks, W. L.↗

Heat transfer with nucleate boiling of liquids under weak mass force field conditions

The motion is examined of a vapor bubble growing and rising from a flat horizontal heater in the ideal fluid approximation and taking drag into account. Estimates are given of bubble lifetime, bubble radius at detachment, bubble detachment frequency, and time for the bubble to attain a constant rate of rise. The relations obtained for the microcharacteristics of the boiling process are used to determine the coefficients of heat transfer in developed nucleate boiling. A new form of the equations for describing heat transfer in nucleate boiling in dimensionless parameters is proposed.

Kirichenko, Y. A.↗

Specification of inputs and instrumentation for flutter testing of multivariable systems

The application of system identification methods in flutter testing of aeroelastic structure is discussed. The accuracy with which flutter parameters are estimated depends upon the test plan and on the algorithms used to reduce the data. The techniques for selecting the kinds and optimal positions of inputs and instrumentation, under typical test constraints, are presented. Identification results for both the input/output transfer function and the value of physical parameters are given. Numerical results on the optimal input spectrum and the accelerometer location for estimating flutter parameters of a two dimensional wing are obtained using these algorithms. Current work on applying system identification methods to high order three dimensional aeroelastic structures is reported.

Gupta, N. K.↗

The application of remote sensing to the development and formulation of hydrologic planning models: Executive summary

Methods for the reduction of remotely sensed data and its application in hydrologic land use assessment, surface water inventory, and soil property studies are presented. LANDSAT data is used to provide quantitative parameters and coefficients to construct watershed transfer functions for a hydrologic planning model aimed at estimating peak outflow from rainfall inputs.

Castruccio, P. A.↗

Integrated propulsion for near-Earth space missions. Volume 1: Executive summary

Tradeoffs between electric propulsion system mass ratio and transfer time from LEO to GEO were conducted parametrically for various thruster efficiency, specific impulse, and other propulsion parameters. A computer model was developed for performing orbit transfer calculations which included the effects of aerodynamic drag, radiation degradation, and occultation. The tradeoff results showed that thruster technology areas for integrated propulsion should be directed towards improving primary thruster efficiency in the range from 1500 to 2500 seconds, and be continued towards reducing specific mass. Comparison of auxiliary propulsion systems showed large total propellant mass savings with integrated electric auxiliary propulsion. Stationkeeping is the most demanding on orbit propulsion requirement. At area densities above 0.5 sq m/kg, East-West stationkeeping requirements from solar pressure exceed North-South stationkeeping requirements from gravitational forces. A solar array pointing strategy was developed to minimize the effects of atmospheric drag at low altitude, enabling electric propulsion to initiate orbit transfer at Shuttle's maximum cargo carrying altitude. Gravity gradient torques are used during ascent to sustain the spacecraft roll motion required for optimum solar array illumination. A near optimum cover glass thickness of 6 mils was established for LEO to GEO transfer.

Dailey, C. L.↗

Visual information transfer. 1: Assessment of specific information needs. 2: The effects of degraded motion feedback. 3: Parameters of appropriate instrument scanning behavior

Pilot and flight crew assessment of visually displayed information is examined as well as the effects of degraded and uncorrected motion feedback, and instrument scanning efficiency by the pilot. Computerized flight simulation and appropriate physiological measurements are used to collect data for standardization.

Comstock, J. R., Jr.↗

A review of some radiometric calibration problems and methods

The in-flight radiometric calibration instrumentation and procedures of the Landsat Thematic Mapper and the high-resolution visible-range instruments of SPOT are illustrated with drawings and diagrams, characterized, and compared. Problems encountered in the laboratory calibration process, minimizing the temporal instability of the systems, identifying anomalies in the electronics in flight, and rechecking the calibration are examined, and it is pointed out that the stability of the calibration systems is less than that of the instruments themselves. The use of carefully measured ground-site data and atmospheric parameters in combination with radiative-transfer models for periodic calibration is recommended.

Slater, P. N.↗

Performance evaluation and geologic utility of LANDSAT-4 thematic mapper data

The overall objective of the project was to evaluate LANDSAT-4 Thematic Mapper (TM) data in the context of geologic applications. This involved a quantitative assessment of the data quality including the spatial and spectral characteristics realized by the instrument. Three test sites were selected for the study: (1) Silver Bell, Arizona; (2) Death Valley, California; and (3) Wind River/Bighorn Basin area, Wyoming. Conclusions include: (1) Artificial and natural targets can be used to atmospherically calibrate TM data and investigate scanner radiometry, atmospheric parameters, and construction of atmospheric Modulation Transfer Functions (MTF's), (2) No significant radiometric degradation occurs in TM data as a result of SCROUNGE processing; however, the data exhibit narrow digital number (DN) distributiosn suggesting that the configuration of the instrument is not optimal for each science applications, (30 Increased spatial resolution, 1:24,000 enlargement capability, and good geometric fidelity of TM data allow accurate photogeologic/geomorphic mapping, including relative age dating of alluvial fans, measurement of structural and bedding attitudes, and construction of such things as structural cross sections and stratigraphic columns. (4) TM bands 5 and 7 are particularly useful for geologic applications because they span a region of the spectrum not previously sampled by multispectral scanner data and are important for characterizing clay and carbonate materials.

Paylor, E. D.↗

Nearly-grazing optimal trajectories for aeroassisted orbital transfer

In the present treatment of optimal control problems arising in the study of coplanar aeroassisted orbital transfer, the hybrid combination of propulsive parameters in space and aerodynamic maneuvers employing lift modulation in the sensible atmosphere indicates that the optimal energy-viewpoint solution is the grazing trajectory; this trajectory is characterized by favorable values of the peak heating rate and the peak dynamic pressure. Numerical solutions are obtained by means of the sequential gradient restoration algorithm for optimal control problems. It is found that nearly-grazing trajectories yielding the least-square value of the path inclination have desirable characteristics from the standpoints of energy, heating rate, and dynamic pressure.

Miele, A.↗

Modified LTR robust control for flexible structures

A procedure is developed for dealing with performance and robustness issues in the design of multi-input multi-output compensators for lightly damped flexible structures. The procedure is based upon representing errors in the plant design model as structured uncertainties, and applying a modified version of the Loop Transfer Recovery (LTR) design method. Real parameter errors, such as frequency errors, damping errors or modal displacement errors can be treated. The approach involves adjusting the cost function in the regulator problem and the process noise model in the estimator problem in a particular manner which reflects the assumed structure of the modeling errors. Numerical examples dealing with the control of a large flexible space antenna with uncertain frequencies demonstrate a considerable improvement over standard LTR methods. Convenient design parameters can be varied until a satisfactory compromise is achieved between performance and robustness.

Blelloch, P. A.↗

Radiative processes

Solar radiation and the processes that control its deposition in the Earth atmosphere are considered. The published data obtained since 1978 define a reference solar spectral irradiance for use in atmospheric chemical and dynamical studies, while long term satellite measurements are now providing information on variations in the output of the Sun over a range of time scales. As concerns absorption of solar radiation in the atmosphere, new cross section data for molecular oxygen and ozone are now available. Line-by-line calculations used to predict infrared flux divergences, both as regards assumptions made in radiative transfer calculations and in the spectroscopic parameters used as inputs are examined. Also examined are the influence of radiative processes on planetary scale wave activity, photochemical acceleration of radiative damping, and the breakdown of local thermodynamic equilibrium at mesospheric altitudes.

Frederick, J. E.↗

Similar solutions for viscous hypersonic flow over a slender three-fourths-power body of revolution

For hypersonic flow with a shock wave, there is a similar solution consistent throughout the viscous and inviscid layers along a very slender three-fourths-power body of revolution The strong pressure interaction problem can then be treated by the method of similarity. Numerical calculations are performed in the viscous region with the edge pressure distribution known from the inviscid similar solutions. The compressible laminar boundary-layer equations are transformed into a system of ordinary differential equations. The resulting two-point boundary value problem is then solved by the Runge-Kutta method with a modified Newton's method for the corresponding boundary conditions. The effects of wall temperature, mass bleeding, and body transverse curvature are investigated. The induced pressure, displacement thickness, skin friction, and heat transfer due to the previously mentioned parameters are estimated and analyzed.

Lin, Chin-Shun↗