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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Numerical Modeling of the Effects of Coating Plates on Terminal Ballistic Performance

This report deals with the development and evaluation of a numerical model to examine applied coating to a metal substrate subjected to a ballistic impact. The numerical model will be used to examine the benefit of the coating in resisting penetration due to the impact. For a detailed examination the Retch-Ipson curve is used as a metric. The numerical data is plotted and then fit to the Retch-Ipson curve and error calculations are used to compare the difference between the numerical output and the experimental data. This initial study is an examination of a few shortcomings of the standard material models used, and demonstrate the future work that is needed to understand the ballistic behavior of materials.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Wind tunnel seeding particles for laser velocimeter

The design of an optimal air foil has been a major challenge for aerospace industries. The main objective is to reduce the drag force while increasing the lift force in various environmental air conditions. Experimental verification of theoretical and computational results is a crucial part of the analysis because of errors buried in the solutions, due to the assumptions made in theoretical work. Experimental studies are an integral part of a good design procedure; however, empirical data are not always error free due to environmental obstacles or poor execution, etc. The reduction of errors in empirical data is a major challenge in wind tunnel testing. One of the recent advances of particular interest is the use of a non-intrusive measurement technique known as laser velocimetry (LV) which allows for obtaining quantitative flow data without introducing flow disturbing probes. The laser velocimeter technique is based on measurement of scattered light by the particles present in the flow but not the velocity of the flow. Therefore, for an accurate flow velocity measurement with laser velocimeters, two criterion are investigated: (1) how well the particles track the local flow field, and (2) the requirement of light scattering efficiency to obtain signals with the LV. In order to demonstrate the concept of predicting the flow velocity by velocity measurement of particle seeding, the theoretical velocity of the gas flow is computed and compared with experimentally obtained velocity of particle seeding.

Ghorieshi, Anthony↗
DOE OSTI2021

Assessment of DFT methods for the prediction of detachment energies and electronic structures of complex and multiply charged anions

Here, in this work, we assess the ability of different density functional theory methods to reproduce the vertical/adiabatic detachment energies (VDEs/ADEs) of a series of 40 anions, including monoanion versus multiply charged anions (MCAs) and covalent versus noncovalent interaction. The statistical analysis of errors is firstly performed by comparing the theoretical values with the experimental benchmark data obtained from the negative ion photoelectron spectroscopy (NIPES). The proposed optimally tuned range-separated (OTRS) functionals are proved to not only well reproduce the experimental VDEs/ADEs, but also simulate experimental NIPES. The result implies a more serious issue of delocalization error for MCAs and a balanced description of electron-rich/- deficient region of anions is necessary. The radius of the spherically symmetric average electron localization function (ELF) region is demonstrated as a useful descriptor for the characterization of electronic structure of anionic systems and a quasilinear fitting model is proposed to efficiently obtain their OTRS parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Efforts to enhance reproducibility in a human performance research project

Background: Ensuring the validity of results from funded programs is a critical concern for agencies that sponsor biological research. In recent years, the open science movement has sought to promote reproducibility by encouraging sharing not only of finished manuscripts but also of data and code supporting their findings. While these innovations have lent support to third-party efforts to replicate calculations underlying key results in the scientific literature, fields of inquiry where privacy considerations or other sensitivities preclude the broad distribution of raw data or analysis may require a more targeted approach to promote the quality of research output. Methods: We describe efforts oriented toward this goal that were implemented in one human performance research program, Measuring Biological Aptitude, organized by the Defense Advanced Research Project Agency's Biological Technologies Office. Our team implemented a four-pronged independent verification and validation (IV&V) strategy including 1) a centralized data storage and exchange platform, 2) quality assurance and quality control (QA/QC) of data collection, 3) test and evaluation of performer models, and 4) an archival software and data repository. Results: Our IV&V plan was carried out with assistance from both the funding agency and participating teams of researchers. QA/QC of data acquisition aided in process improvement and the flagging of experimental errors. Holdout validation set tests provided an independent gauge of model performance. Conclusions: In circumstances that do not support a fully open approach to scientific criticism, standing up independent teams to cross-check and validate the results generated by primary investigators can be an important tool to promote reproducibility of results.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Microprocessor-based cardiopulmonary monitoring system

The system uses a dedicated microprocessor for transducer control and data acquisition and analysis. No data will be stored in this system, but the data will be transmitted to the onboard data system. The data system will require approximately 12 inches of rack space and will consume only 100 watts of power. An experiment specific control panel, through a series of lighted buttons, will guide the operator through the test series providing a smaller margin of error. The experimental validity of the system was verified, and the reproducibility of data and reliability of the system checked. In addition, ease of training, ease of operator interaction, and crew acceptance were evaluated in actual flight conditions.

Source record↗
DOE OSTI2023

Single-size and cluster dynamics modeling of intra-granular fission gas bubbles in UO 2

For this work, we perform simulations of intra-granular fission gas bubble evolution in UO 2 using both a relatively simple, computationally inexpensive single-size model and a detailed cluster dynamics model. Simulations encompass 36 experimental cases from 4 different databases, covering various temperature and burnup levels. We systematically compare results from the two models to each other and to post-irradiation experimental data of bubble average size and number density. Overall, the model-to-model comparisons reveal an excellent agreement across the set of simulations. This outcome indicates that, in spite of the underlying assumptions, the single-size model provides a good approximation of the complex physical behavior that is more rigorously described by the cluster dynamics model. Qualitatively, both models reproduce the trends of the experimental data with temperature and burnup correctly. Quantitatively, calculated results are either in good agreement with the data or within errors that appear consistent with the inherent uncertainties. Moreover, for the single-size model, we demonstrate and assess a multiscale approach whereby values for the fission gas atom diffusion coefficient from separate atomistic calculations are used. Systematic comparisons to experimental data point out a credible accuracy of the multiscale model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

CEFR simulation using diffusion code system RAST-F

In this study, the RAST-F code system, which is based on the two-step approach that couples a multi-group cross-section generation Monte-Carlo (MC) code and a multi-group nodal diffusion solver, was used for the neutronic simulation of the CEFR start-up experiments. The numerical solution of the RAST-F system was verified against the full core MC solution MCS at all control rods fully inserted and withdrawn states. The RAST-F solution of the selected experimental simulations was compared against the measurement data. A good agreement between RAST-F and MCS solutions was observed with less than 120 pcm discrepancies and 1.2% root-mean-square error in terms of k{sub eff} and power distribution, respectively. Meanwhile, the RAST-F result agreed well with the experimental data within two-sigma of experimental uncertainty. The good agreement of these results indicates that RAST-F can be used to neutronic steady-state simulations for small core-size SFR, which was challenged to deterministic code systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1987

Hydrogen oxidation mechanism with applications to (1) the chaperon efficiency of carbon dioxide and (2) vitiated air testing

Ignition delay times for the hydrogen/oxygen/carbon dioxide/argon system were obtained behind reflected shock waves. A detailed kinetic mechanism modeled the experimental hydrogen/oxygen data, Skinner and Ringrose's high-pressure data, and Slack and Grillo's hydrogen/air data. A carbon dioxide chaperon efficiency of 7.0 +/- 0.2 was determined. The reaction pathway H2O yields H2O2 yields OH yields H was required to model the high-pressure data. It is suggested that some of the lowest temperature data points (1.0 and 0.5 atm) for Slack and Grillo's hydrogen/air experiments are in error. It was found that the technique of simplifying a detailed kinetic mechanism for a limited range of experimental data may render the model useless for other test conditions.

Brabbs, Theodore A.↗
NASA NTRS1997

Experimental Investigation of Jet Impingement Heat Transfer Using Thermochromic Liquid Crystals

Jet impingement cooling of a hypersonic airfoil leading edge is experimentally investigated using thermochromic liquid crystals (TLCS) to measure surface temperature. The experiment uses computer data acquisition with digital imaging of the TLCs to determine heat transfer coefficients during a transient experiment. The data reduction relies on analysis of a coupled transient conduction - convection heat transfer problem that characterizes the experiment. The recovery temperature of the jet is accounted for by running two experiments with different heating rates, thereby generating a second equation that is used to solve for the recovery temperature. The resulting solution requires a complicated numerical iteration that is handled by a computer. Because the computational data reduction method is complex, special attention is paid to error assessment. The error analysis considers random and systematic errors generated by the instrumentation along with errors generated by the approximate nature of the numerical methods. Results of the error analysis show that the experimentally determined heat transfer coefficients are accurate to within 15%. The error analysis also shows that the recovery temperature data may be in error by more than 50%. The results show that the recovery temperature data is only reliable when the recovery temperature of the jet is greater than 5 C, i.e. the jet velocity is in excess of 100 m/s. Parameters that were investigated include nozzle width, distance from the nozzle exit to the airfoil surface, and jet velocity. Heat transfer data is presented in graphical and tabular forms. An engineering analysis of hypersonic airfoil leading edge cooling is performed using the results from these experiments. Several suggestions for the improvement of the experimental technique are discussed.

Dempsey, Brian Paul↗
DOE OSTI2024

Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: From predictions to experimental validation

The vast chemical space of high entropy alloys (HEAs) makes trial-and-error experimental approaches for materials discovery intractable and often necessitates data-driven and/or first principles computational insights to successfully target materials with desired properties. In the context of materials discovery for hydrogen storage applications, a theoretical prediction-experimental validation approach can vastly accelerate the search for substitution strategies to destabilize high-capacity hydrides based on benchmark HEAs, e.g. TiVNbCr alloys. Here, in this study, machine learning predictions, corroborated by density functional theory calculations, predict substantial hydride destabilization with increasing substitution of earth-abundant Fe content in the (TiVNb) 75 Cr 25-x Fe x system. The as-prepared alloys crystallize in a single-phase bcc lattice for limited Fe content x < 7, while larger Fe content favors the formation of a secondary C14 Laves phase intermetallic. Short range order for alloys with x < 7 can be well described by a random distribution of atoms within the bcc lattice without lattice distortion. Hydrogen absorption experiments performed on selected alloys validate the predicted thermodynamic destabilization of the corresponding fcc hydrides and demonstrate promising lifecycle performance through reversible absorption/desorption. This demonstrates the potential of computationally expedited hydride discovery and points to further opportunities for optimizing bcc alloy ↔ fcc hydrides for practical hydrogen storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

INTERFACES. A Program for Determining the 3D Structures of Surfaces Sites Using NMR Data

Dynamic nuclear polarization surface enhanced NMR spectroscopy has enabled the determination of high-resolution structures from surface-supported molecules, including singlesite heterogeneous catalysts. Structure determinations have largely mimicked the approaches used in biomolecular NMR spectroscopy, namely, using distance measurements to constrain a conformational search. These early demonstrations made use of purpose-built software, which has limited the adoption of the technique. Herein, we describe the open-source program INTERFACES (Interpret NMR to Elucidate or Reconstruct the Full Atomistic Configurations of External Surfaces) which automates the analysis of RE(SP)DOR data as well as the structure determination for surface sites. Distances, angles, dihedral angles, complex orientation, and distance from the support can all be sampled to find all structures that agree with the experimental data. A χ 2 metric is used to define the error ranges of the REDOR fits and produce structures with an arbitrary level of confidence. Structural solutions are then provided as both overlays and ORTEP-like probability ellipsoids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Solovay-Kitaev algorithm and randomized compilation

This paper discusses a technique for randomizing over synthesized one-qubit gate sequences in order to mitigate coherent errors in fault-tolerant circuits. We present simulated and experimental data showing that randomization can reduce the trace distance to the target state.

Widzowski Maupin, Oliver Gabriel [Sandia National ↗
DOE OSTI2023

On-Line Prediction of Resistant Force During Soil–Tool Interaction

For off-road vehicles such as excavators and wheel loaders, a large portion of energy is consumed to overcome the soil resistant force in the digging process. For optimal control of the digging tool, a high-fidelity model of the soil–tool interaction force is important to reduce energy consumption. Here, in this paper, an on-line soil resistant force prediction method is proposed. In this method, a hybrid model, which combines a physical model and a data-driven model, is used for the force prediction. In addition, the parameters of the hybrid model can be updated on-line based on real-time data. Comparisons with experimental data demonstrate that the proposed prediction method has an average error of around 12.7%.

42 ENGINEERING↗
DOE OSTI2022

Liquid and Gamma-BCC Phase Equilibria in the Uranium-Niobium System: A Simple Thermodynamic Model for Phase Diagram and Other Predictions

A simple thermodynamic model for the uranium-niobium (U-Nb) system was created using a Calphad-type approach, circa 2002. Only the liquid and gamma-BCC phases were modeled, with their subregular solution mixing terms optimized by trial and error. The custom (user-defined) database file (.tdb) and experimental data file (.exp) are listed, both of which are compatible with Thermo-Calc software. This model is used to calculate the solidus, liquidus, miscibility gap on the U-Nb phase diagram and also the enthalpy of melting in the U-6Nb alloy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Determination of the temperature of gas mixtures by using laser Raman scattering

A theoretical model for the Raman rotational spectrum of air was formulated, yielding the spectral temperature dependence; and an error analysis of temperature measurement accuracies was performed. The theoretical spectra and the predicted temperature measurement error of + or - 20 K (7 percent) compared well with experimental data. These experimental data consisted of Raman spectra of air obtained for temperatures ranging from 243 to 313 K at a pressure of 1 atmosphere. The use of selected lines resulted in an experimental accuracy of + or - 13 K (-5 percent).

Coney, T. A.↗
NASA NTRS1982

Turbulent boundary layer over solid and porous surfaces with small roughness

The wind tunnel models and instrumentation used as well as data reduction and error analysis techniques employed are described for an experimental study conducted to measure directly skin friction and obtain profiles of mean velocity, axial and normal turbulence intensity, and Reynolds stress in the untripped boundary on a large diameter axisymmetric body. Results are given for such a body with a (1) smooth, solid surface; (2) a sandpaper roughened, solid surface; (3) a sintered metal, porous surface; (4) a ""smooth'' performated titanium surface; (5) a rough, solid surface made of fine diffusion bonded screening; and (6) a rough, porous surface made of the same screening. The roughness values were in low range (k+ 5 to 7) just above what is normally considered ""hydraulically smooth''. Measurements were taken at several axial locations and tow or normal stream freestream velocities, 45.1 m/sec and 53.5 m/sec.

Kong, F. Y.↗
NASA NTRS1982

Relations between mirror flats geometry and X-ray data

The X-ray data is used to determine the position where the mirror flats are properly aligned. The zero angle of incidence position of the mirrors is determined with the data. The mirrors are in the periscope geometry. However, the value of S sub T, the distance from the slit to the plane of the short mirror, is not fixed nor known a priori. This parameter plays a very important role in the zero position of the mirrors. As a further complicating factor, it is possible that the mirrors are not parallel. That is, they may be cocked by some angles alpha and beta, respectively. The relation between the X-ray data and the geometry of the mirrors is given. The experimental errors are given in terms of known or measured parameters.

Williams, A. C.↗
NASA NTRS1991

Non-linear dynamics of a geared rotor-bearing system with multiple clearances

The nonlinear frequency response characteristics of a geared rotor-bearing system are examined. A three-DOF dynamic model is developed which includes nonlinearities associated with radial clearances in the radial rolling element bearings and backlash between a spur gear pair; linear time-invariant gear meshing stiffness is assumed. The corresponding linear system problem is also solved, and predicted natural frequencies and modes match with finite element method results. The applicability of both analytical and numerical solution techniques to the multi-DOF nonlinear problem is investigated. Satisfactory agreement is found between the theory presented here and the available experimental data. Nonlinear modal interactions and differences between internal static transmission error excitation and external torque excitation are discussed. In addition, parametric studies are performed to understand the effect of system parameters such as bearing stiffness to gear mesh stiffness ratio, alternating to mean force ratio and radial bearing preload to mean force ratio on the nonlinear dynamic behavior.

Kahraman, A.↗