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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 OSTI2022

Concurrent Precipitation of Nb(C,N) and Metastable M 23 C 6 in Alloy 347H at 700°C and 750°C: Computer Simulations and Comparison to Experiment

Here, we present our results for the concurrent precipitation of metastable M 23 C 6 , Nb(C,N) secondary precipitates, and the Nb(C,N) primary crystals in 347H austenitic stainless steel. For precipitation modeling, we have accounted for the elastic contribution to interfacial energy, and for the Fe-spin-polarization for NbC/Fe and M 23 C 6 /Fe interfacial energy values: for NbC/Fe ~ 0.63 J/m 2 . For M 23 C 6 precipitates, an error function was used to describe the interfacial energy growth with particle size. In precipitation simulations, the average size of the primary Nb(C,N) particles remained ~ 1 μm at 700°C and ~ 0.3 μm at 750°C. The M 23 C 6 precipitates at 750°C dissolved after 120 h (our simulations) compared to 300 h (experiments). The Nb(C,N)/Fe interfacial energy was not affected by the nitrogen additions. With these modifications, reasonable agreement with the available experimental data was obtained, which allows using them in the development of the 2nd-phase particle-informed creep theory.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Model uncertainty in accelerator application simulations

Monte-Carlo nuclear reaction and transport codes are widely used to devise accelerator-based nuclear physics experiments; at the same time, many experiments are performed to validate the Monte-Carlo codes, which can be used for the design of full-scale nuclear power applications or the design of new benchmark experiments. Dedicated model benchmark studies investigate a broad range of nuclear reactions and quantities. Examples of these include isotope formation or secondary particle fluxes that result from the interactions of GeV-range hadrons with monoisotopic targets, which can be used to assess the respective systematic uncertainty of models. Such benchmark studies, as well as many nuclear application experiments and simulations carried out by various groups over the last few decades, enable us to draw methodological lessons. In this work, model uncertainty determined based on available experimental data allow us to identify the effects of practitioner expertise as well as the design of codes (user access to micro-scale parameters) on the range of uncertainties. We found that in cases when simulations are performed by code developers or users that are very experienced in performing simulations, the model to experiment quantity ratios generally agree with the limits determined by dedicated benchmark studies. In other cases, the ratios generally tend to be either smaller (underestimation of model error) or larger (overestimation of model error). A plausible explanation of the aforementioned effects is suggested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant

We report that discrepancies have been noted in the solubility constant values of calcium phosphate minerals between various databases employed in widely-used aqueous speciation calculation software programs. This can cause serious errors in the calculated speciation of waters using these software programs. The aim of the present communication was to bring to light these discrepancies. Experimental determinations of the hydroxyapatite solubility product vary by as much as ten orders of magnitude as a result of experimental challenges related to the presence of impurities in the hydroxyapatite used, incongruent dissolution and the contamination of solutions with dissolved carbon dioxide. Finally, it is suggested that the value used in the database Thermo.dat is consistent with experimental data devoid of common experimental problems, while other common databases use values that lead to a vastly overestimated solubility of hydroxyapatite.

58 GEOSCIENCES↗
NASA NTRS1991

Calculations of H2O microwave line broadening in collisions with He atoms - Sensitivity to potential energy surfaces

Theoretical computations of broadening parameters are reported for three microwave lines of H2O in a bath of He atoms. The potential-energy surfaces employed are corrected for basis-set superposition error, and their reliability is checked by repeating the calculations with a different basis set for orbital expansion. The results are presented in extensive tables and discussed in detail. The corrections applied are shown to have a significant impact on the accuracy of the room-temperature broadenings determined: 8.9 sq A for the 22.2-GHz line, 11.8 sq A for the 183,3-GHz line, and 10.0 sq A for the 380.2-GHz line, in good agreement with published experimental data. The importance of collisional broadening for the atmospheric transmission of radiation and for remote-sensing applications is indicated.

Green, Sheldon↗
NASA NTRS1984

Evaluation of the solar disk sextant concept

In this paper the viability of the solar disk sextant concept is evaluated, the optimum parameters required to carry out solar variability studies, which are the mission objectives, are derived. The experimental environment is first discussed, followed by the application of the finite Fourier transform definition (FFTD) to the detector array data. The requirements on the optical system are studied next. A computer program was carried out simulating solar edge data and FFTD. From this study, it is concluded that the required accuracy of measurement may be reached using currently available detector array technology, a focal ratio of the optical system in excess of 90, and an entrance aperture of 22 cm. The guidance error must be small enough to require no more than a correction rate of 0.1 arcsec/sec. All these conditions are well within current technology.

Chiu, H.-Y.↗
NASA NTRS1999

ICP Reactor Modeling: CF4 Discharge

Inductively coupled plasma (ICP) reactors are widely used now for etching and deposition applications due to their simpler design compared to other high density sources. Plasma reactor modeling has been playing an important role since it can, in principle, reduce the number of trial and error iterations in the design process and provide valuable understanding of mechanisms. Fluorocarbon precursors have been the choice for oxide etching. We have data available on CF4 from our laboratory. These are current voltage characteristics, La.ngmuir probe data, UV-absorption, and mass spectrometry measurements in a GEC-ICP reactor. We have developed a comprehensive model for ICP reactors which couples plasma generation and transport and neutral species dynamics with the gas flow equations. The model has been verified by comparison with experimental results for a nitrogen discharge in an ICP reactor. In the present work, the model has been applied to CF4 discharge and compared to available experimental data.

Bose, Deepak↗
NASA NTRS2005

Fundamental Mistuning Model for Probabilistic Analysis Studied Experimentally

The Fundamental Mistuning Model (FMM) is a reduced-order model for efficiently calculating the forced response of a mistuned bladed disk. FMM ID is a companion program that determines the mistuning in a particular rotor. Together, these methods provide a way to acquire mistuning data in a population of bladed disks and then simulate the forced response of the fleet. This process was tested experimentally at the NASA Glenn Research Center, and the simulated results were compared with laboratory measurements of a "fleet" of test rotors. The method was shown to work quite well. It was found that the accuracy of the results depends on two factors: (1) the quality of the statistical model used to characterize mistuning and (2) how sensitive the system is to errors in the statistical modeling.

Griffin, Jerry H.↗
NASA NTRS2005

Flight Technical Error Analysis of the SATS Higher Volume Operations Simulation and Flight Experiments

This paper provides an analysis of Flight Technical Error (FTE) from recent SATS experiments, called the Higher Volume Operations (HVO) Simulation and Flight experiments, which NASA conducted to determine pilot acceptability of the HVO concept for normal operating conditions. Reported are FTE results from simulation and flight experiment data indicating the SATS HVO concept is viable and acceptable to low-time instrument rated pilots when compared with today s system (baseline). Described is the comparative FTE analysis of lateral, vertical, and airspeed deviations from the baseline and SATS HVO experimental flight procedures. Based on FTE analysis, all evaluation subjects, low-time instrument-rated pilots, flew the HVO procedures safely and proficiently in comparison to today s system. In all cases, the results of the flight experiment validated the results of the simulation experiment and confirm the utility of the simulation platform for comparative Human in the Loop (HITL) studies of SATS HVO and Baseline operations.

Williams, Daniel M.↗
NASA NTRS2019

Establishing Best Practices for X-57 Maxwell CFD Database Generation

The X-57 Maxwell is NASA’s latest electric airplane concept that has been simulated for aerodynamic performance using the structured overset and unstructured grid solvers within the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework as well as the unstructured polyhedral grid solver in Star-CCM+ for code-to-code comparison. In order to validate the predictions, comparisons were made between the CFD solutions and experimental data collected in the 12-foot Low-Speed Wind Tunnel at NASA Langley Research Center. The simulations are in preparation for the development of a comprehensive aerodynamic database which will assess aircraft performance at a variety of conditions. The findings from these simulations will establish the best practices for mesh resolution, numerical discretization, and turbulence modeling to be used for this database. Preliminary database results have shown that best-practices learned from the initial validation simulations will potentially reduce error in X-57 aerodynamic loads and moments relative to experiment by up to 14%.

Duensing, Jared C.↗
DOE OSTI2020

Weighted greedy-optimal design of computer experiments for kernel-based and Gaussian process model emulation and calibration

This article is concerned with the approximation of high-dimensional functions by kernel-based methods. Motivated by uncertainty quantification, which often necessitates the construction of approximations that are accurate with respect to a probability density function of random variables, we aim at minimizing the approximation error with respect to a weighted $L^p$-norm. We present a greedy procedure for designing computer experiments based upon a weighted modification of the pivoted Cholesky factorization. The method successively generates nested samples with the goal of minimizing error in regions of high probability. Numerical experiments validate that this new importance sampling strategy is superior to other sampling approaches, especially when used with non-product probability density functions. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2024

Evaluating Differences Among Crop Models in Simulating Soybean in-Season Growth

Crop models are useful tools for simulating agricultural systems that require continued model development and testing to increase their robustness and improve how they describe our current understanding of processes. Coordinated and “blind” evaluation of multiple models using same protocols and experimental datasets provides unique opportunities to further improve models and enhance their reliability. For soybean [Glycine max (L.) Merr.], there has been limited coordinated multi-model evaluations for the simulation of in-season plant growth dynamics. We evaluated ten dynamic soybean crop models for their simulation of in-season plant growth using data from five experiments conducted in Argentina, Brazil, France, and USA. We evaluated models after a Blind (using only phenology data) and a Full calibration (with in-season and end-of-season variables). Calibration reduced model uncertainty by reducing standard bias for the simulation of in-season variables (biomass, leaf, pod, and stem weights, and leaf area index, LAI). However, we found that most models had difficulty in reproducing leaf growth dynamics, with normalized root mean squared error (nRMSE) of 56% for leaf weight and 43% for LAI (across locations and models after Full calibration). Models with different levels of complexity and experience were capable of simulating final seed yield at maturity with reasonable accuracy (nRMSE of 8–31% after Full calibration). However, the nRMSE for pod weight (of 17–64% after Full calibration) was two-fold larger than that of seed yield. Moreover, the models differed in how they simulated timing from sowing to beginning seed growth (47–93 days) and effective seed filling period (18–54 days), owing to model structural differences in defining the reproductive developmental stages. Overall, we identified the following processes that can benefit from further model improvement: leaf expansion and senescence, reproductive phenology, and partitioning to reproductive growth. Simulation of pod wall tissue and individual seed cohorts is another aspect that many models currently lack. Model improvement can benefit from high-temporal resolution experimental datasets that concurrently account for phenology, plant growth, and partitioning. Further, we recommend collecting reproductive phenology in the field consistent with actual dry matter allocation to organs in the models and collecting multiple observations of seed and pod weight to aid model improvement for simulation of seed growth and yield formation.

Agricultural Model Intercomparison and Improvement↗
DOE OSTI2020

Improved single-particle phase-space distributions for viscous fluid dynamic models of relativistic heavy ion collisions

Comparison of hydrodynamic calculations with experimental data inevitably requires a model for converting the fluid to particles. For shear viscous fluids, several different conversion models have been proposed, such as the quadratic Grad corrections, the Strickland-Romatschke (SR) ansatz, self-consistent shear corrections from linearized kinetic theory, or corrections from the relaxation time approach. We show, via comparison to nonlinear 2 → 2 kinetic theory evolution, that even for low specific shear viscosities 0.03 ≲ $\textit{η/s}$ ≲ 0.2 , these four models have varying accuracy and still significant errors in reproducing particle phase space densities from hydrodynamic fields. Moreover, we demonstrate that the overall reconstruction error of additive shear viscous $f = f_{eq} + δf$ models dramatically reduces by up to one order of magnitude, if one ensures through exponentiation that $\textit{f}$ is always positive. Further, we also illustrate how even more accurate viscous $\textit{δf}$ models can be constructed by incorporating the first time derivatives of hydrodynamic fields to account for the past evolution of the system. Such time derivatives are readily available in hydrodynamic simulations, though usually not included in the output. Though our comparisons are limited to a one-component massless system undergoing a (0 + 1)-dimensional (0 + 1D) longitudinal boost-invariant expansion, we expect that the improved models will be useful in 2 + 1D and 3 + 1D hydrodynamic studies as well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Soft X Ray Telescope (SXT) focus error analysis

The analysis performed on the soft x-ray telescope (SXT) to determine the correct thickness of the spacer to position the CCD camera at the best focus of the telescope and to determine the maximum uncertainty in this focus position due to a number of metrology and experimental errors, and thermal, and humidity effects is presented. This type of analysis has been performed by the SXT prime contractor, Lockheed Palo Alto Research Lab (LPARL). The SXT project office at MSFC formed an independent team of experts to review the LPARL work, and verify the analysis performed by them. Based on the recommendation of this team, the project office will make a decision if an end to end focus test is required for the SXT prior to launch. The metrology and experimental data, and the spreadsheets provided by LPARL are used at the basis of the analysis presented. The data entries in these spreadsheets have been verified as far as feasible, and the format of the spreadsheets has been improved to make these easier to understand. The results obtained from this analysis are very close to the results obtained by LPARL. However, due to the lack of organized documentation the analysis uncovered a few areas of possibly erroneous metrology data, which may affect the results obtained by this analytical approach.

Ahmad, Anees↗
NASA NTRS2011

Estimation of Unsteady Aerodynamic Models from Dynamic Wind Tunnel Data

Demanding aerodynamic modelling requirements for military and civilian aircraft have motivated researchers to improve computational and experimental techniques and to pursue closer collaboration in these areas. Model identification and validation techniques are key components for this research. This paper presents mathematical model structures and identification techniques that have been used successfully to model more general aerodynamic behaviours in single-degree-of-freedom dynamic testing. Model parameters, characterizing aerodynamic properties, are estimated using linear and nonlinear regression methods in both time and frequency domains. Steps in identification including model structure determination, parameter estimation, and model validation, are addressed in this paper with examples using data from one-degree-of-freedom dynamic wind tunnel and water tunnel experiments. These techniques offer a methodology for expanding the utility of computational methods in application to flight dynamics, stability, and control problems. Since flight test is not always an option for early model validation, time history comparisons are commonly made between computational and experimental results and model adequacy is inferred by corroborating results. An extension is offered to this conventional approach where more general model parameter estimates and their standard errors are compared.

Murphy, Patrick↗
NASA NTRS2020

Structural Model Tuning Tool: User's Reference Manual

This report presents an efficient approach for tuning finite element models to match the measured ground vibration test and static test data. Frequencies, mode shapes, total weight, location of the center of gravity, and static deformation computed from the finite element model are matched to the measured data. The model tuning procedure used in this work is based on solving an optimization problem in which the errors for the considered metrics, between the finite element prediction and the measured data, are minimized. Analytical sensitivity values of performance indices are computed using the NASTRAN-generated sensitivity values together with the in-house computer codes, which allow for faster computational time and the use of gradient-based optimizers. The method is applied to the Aerostructures Test Wing IV model. The study shows that the military standard and the National Aeronautics and Space Administration standard for comparing analytical and experimental modal data are all satisfied. The final finite element model correlates well with the test data. The flutter speed decreases by 8.91 percent after model tuning compared with the original Aerostructures Test Wing IV design.

Chan-gi Pak↗
DOE OSTI2024

Bottomonium suppression in 5.02 and 8.16 TeV 𝑝-Pb collisions

Here, we compute the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) states in 𝑝-Pb collisions relative to 𝑝⁢𝑝 collisions, including nuclear parton distribution function (nPDF) effects, coherent energy loss, momentum broadening, and final-state interactions in the quark-gluon plasma. We employ the EPPS21 nPDFs and calculate the uncertainty resulting from variation over the associated error sets. To compute coherent energy loss and momentum broadening, we follow the approach of Arleo, Peigne, and collaborators. The 3+1⁢D viscous hydrodynamical background evolution of the quark-gluon plasma is generated by anisotropic hydrodynamics. The in-medium suppression of bottomonium in the quark-gluon plasma is computed using a next-to-leading-order open quantum system framework formulated within potential nonrelativistic quantum chromodynamics. We find that inclusion of all these effects provides a reasonable description of experimental data from the ALICE, ATLAS, CMS, and LHCb Collaborations for the suppression of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆), and ϒ⁡(3⁢𝑆) as a function of both transverse momentum and rapidity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum Computing for High-Energy Physics: State of the Art and Challenges

Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage—namely, a significant (in some cases exponential) speedup of numerical simulations. The rapid development of hardware devices with various realizations of qubits enables the execution of small-scale but representative applications on quantum computers. In particular, the high-energy physics community plays a pivotal role in accessing the power of quantum computing, since the field is a driving source for challenging computational problems. This concerns, on the theoretical side, the exploration of models that are very hard or even impossible to address with classical techniques and, on the experimental side, the enormous data challenge of newly emerging experiments, such as the upgrade of the Large Hadron Collider. In this Roadmap paper, led by CERN, DESY, and IBM, we provide the status of high-energy physics quantum computations and give examples of theoretical and experimental target benchmark applications, which can be addressed in the near future. Having in mind hardware with about 100 qubits capable of executing several thousand two-qubit gates, where possible, we also provide resource estimates for the examples given using error-mitigated quantum computing. The ultimate declared goal of this task force is therefore to trigger further research in the high-energy physics community to develop interesting use cases for demonstrations on near-term quantum computers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Shape evolution in even-mass 98-104 Zr isotopes via lifetime measurements using the $\gamma \gamma $-coincidence technique

The Zirconium (Z = 40) isotopic chain has attracted interest for more than four decades. The abrupt lowering of the energy of the first 2 + state and the increase in the transition strength B(E2; 2$^+_1$ →0$^+_1$) going from 98 Zr to 100 Zr has been the first example of “quantum phase transition” in nuclear shapes, which has few equivalents in the nuclear chart. Although a multitude of experiments have been performed to measure nuclear properties related to nuclear shapes and collectivity in the region, none of the measured lifetimes were obtained using the Recoil Distance Doppler Shift method in the γγ-coincidence mode where a gate on the direct feeding transition of the state of interest allows a strict control of systematical errors. Here this work reports the results of lifetime measurements for the first yrast excited states in 98-104 Zr carried out to extract reduced transition probabilities. The new lifetime values in γγ-coincidence and γ-single mode are compared with the results of former experiments. Recent predictions of the Interacting Boson Model with Configuration Mixing, the Symmetry Conserving Configuration Mixing model based on the Hartree–Fock–Bogoliubov approach and the Monte Carlo Shell Model are presented and compared with the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗