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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Validation of MPACT BWR capabilities against critical experiments

Over the years, significant validation work for the neutronics code MPACT has been performed against zero-power critical benchmarks and measured data from operating nuclear power plants. As a part of the Modeling and Analysis of Exelon BWRs for Eigenvalue and Thermal Limits Predictability project, new validation efforts relevant to boiling water reactor (BWR) core applications have been performed. This paper presents the results of the critical experiment portion of the BWR validation efforts for MPACT. The Kritz-4 experiments and IPEN/MB-01 BWR-relevant configurations are modeled with MPACT. The Kritz-4 BWR critical experiments were performed at both cold and hot conditions, which is a unique feature among other critical experiment facilities. The MPACT results with linear source (LS) Method of Characteristics (MOC) have very good agreement with the measured criticality. When using the 60-group BWR library with LS and P2 scattering, the maximum k{sub eff} error is 109 pcm, and the average cold-hot bias is only -0.11 pcm/K. The fission rate distributions of MPACT are also verified with Serpent calculations. For the IPEN facility, two configurations are considered: one with a large central void, and one with a cruciform control rod. The MPACT k{sub eff} errors are less than 50 pcm for all IPEN problems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1986

Monochromatic calculations of atmospheric radiative transfer due to molecular line absorption

Sensitivity studies related to the effects of line cutoff, spectral resolution, and temperature and pressure interpolations in radiative transfer have been performed so that a data set of absorption coefficients for water vapor, CO2, and O3 may be created efficiently. Results show that computations of absorption coefficients are affected only slightly by cutting a line off at a wave number 190 times the Lorentz half width from the center, or equivalently, cutting off 0.33 percent of the line intensity from the wings. To achieve a relative cooling rate error smaller than 2 percent, it is sufficient to precompute the absorption coefficient at three temperatures (210, 250, and 290 K) and 19 pressures with Delta (log 10 p) = 0.2. The absorption coefficient at other conditions can be interpolated linearly with pressure and exponentially with a quadratic in temperature. For the spectral resolution the absorption coefficients can be adequately computed at 0.01, 0.002, 0.005, and 0.025/cm intervals in the thermal water vapor, the CO2 and O3 bands, and the solar water vapor bands, respectively, which limits the error to only a few percent in the cooling and heating rates. Using the precomputed absorption coefficients, repeated monochromatic calculations of atmospheric heating/cooling rates for radiation model developments and for comparison with less detailed calculations are no longer difficult.

Chou, M.-D.↗
DOE OSTI2025

Impact of dynamics, entanglement and Markovian noise on the fidelity of few-qubit digital quantum simulation

Quantum algorithms have been proposed to accelerate the simulation of the chaotic dynamical systems that are ubiquitous in the physics of plasmas. Quantum computers without error correction might even use noise to their advantage to calculate the Lyapunov exponent by measuring the Loschmidt echo fidelity decay rate. For the first time, digital Hamiltonian simulations of the quantum sawtooth map, performed on the IBM-Q quantum hardware platform, show that the fidelity decay rate of a digital quantum simulation increases during the transition from dynamical localization to chaotic diffusion in the map. The observed error per CNOT gate increases by $1.5{\times }$ as the dynamics varies from localized to diffusive, while only changing the phases of virtual RZ gates and keeping the overall gate count constant. A gate-based Lindblad noise model that captures the effective change in relaxation and dephasing errors during gate operation qualitatively explains the effect of dynamics on fidelity as being due to the localization and entanglement of the states created. Specifically, highly delocalized states that are entangled with random phases show an increased sensitivity to dephasing and, on average, a similar sensitivity to relaxation as localized states. In contrast, delocalized unentangled states show an increased sensitivity to dephasing but a lower sensitivity to relaxation. This gate-based Lindblad model is shown to be a useful benchmarking tool by estimating the effective Lindblad coherence times during CNOT gates and finding a consistent $2\unicode{x2013}3{\times }$ shorter $T_2$ time than reported for idle qubits. Thus, the interplay of the dynamics of a simulation with the noise processes that are active can strongly influence the overall fidelity decay rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Shutdown dose rate analysis with the Shift Monte Carlo radiation transport code and modular verification workflow

Calculation of the shutdown dose rate is crucial for safe fusion reactor operations. The Rigorous-two-step (R2S) method is a method that requires connected neutron transport, activation, and gamma transport. Shift has integrated variance reduction with a deterministic solver Denovo, supports multiple geometry formats, and is scalable. These features make it an attractive transport solver choice for an R2S workflow. An R2S workflow for the Shift Monte Carlo code is developed and compared to the existing Oak Ridge National Laboratory Shutdown Dose Rate Code Suite (ORCS) workflow. Also, a Python framework for integrating two R2S workflows is developed to mix and match each step in the R2S workflow for improved collaboration and verification experience. In this study, results show that the Shift-Denovo R2S workflow and the ORCS workflow calculate the shutdown dose rate of the ITER Shutdown Dose Rate benchmark problem with an average relative error of 2.285%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Multi-calculation rate simulations

It is common in real time simulations of large aerospace systems to separate the high and low frequency subsystems within the simulation and perform the integrations of the subsystems at different calculation rates. This is done to strike a balance between accuracy of calculation and capacity of the digital computer. Questions arising as to the accuracy of this structure compared to single calculation rates were studied using a linear aircraft model. Also investigated were interactions arising to cause errors worse than those expected. Problems are specifically identified and guidelines are given for selection of sample rates for multiple rate simulations.

Powell, J. D.↗
NASA NTRS1991

Nonlinear analysis and redesign of the mixed-mode bending delamination test

The Mixed Mode Bending (MMB) test uses a lever to simultaneously apply mode I and mode II loading to a split beam specimen. An iterative analysis that accounts for the geometric nonlinearity of the MMB test was developed. The analysis accurately predicted the measured load displacement response and the strain energy release rate, G, of an MMB test specimen made of APC2 (AS4/PEEK). The errors in G when calculated using linear theory were found to be as large as thirty percent in some cases. Because it would be inconvenient to use a nonlinear analysis to analyze MMB data, the MMB apparatus was redesigned to minimize the nonlinearity. The nonlinear analysis was used as a guide in redesigning the MMB apparatus. With the redesigned apparatus, loads were applied through a roller attached to the level and loaded just above the midplane of the test specimen. The redesigned apparatuus has geometric nonlinearity errors of less than three percent, even for materials substantially tougher than APC2. This apparatus was demonstrated by measuring the mixed mode delamination fracture toughness of APC2.

Reeder, J. R.↗
NASA NTRS1994

Evaluation of very long baseline interferometry atmospheric modeling improvements

We determine the improvement in baseline length precision and accuracy using new atmospheric delay mapping functions and MTT by analyzing the NASA Crustal Dynamics Project research and development (R&D) experiments and the International Radio Interferometric Surveying (IRIS) A experiments. These mapping functions reduce baseline length scatter by about 20% below that using the CfA2.2 dry and Chao wet mapping functions. With the newer mapping functions, average station vertical scatter inferred from observed length precision (given by length repeatabilites) is 11.4 mm for the 1987-1990 monthly R&D series of experiments and 5.6 mm for the 3-week-long extended research and development experiment (ERDE) series. The inferred monthly R&D station vertical scatter is reduced by 2 mm or by 7 mm is a root-sum-square (rss) sense. Length repeatabilities are optimum when observations below a 7-8 deg elevation cutoff are removed from the geodetic solution. Analyses of IRIS-A data from 1984 through 1991 and the monthly R&D experiments both yielded a nonatmospheric unmodeled station vertical error or about 8 mm. In addition, analysis of the IRIS-A exeriments revealed systematic effects in the evolution of some baseline length measurements. The length rate of change has an apparent acceleration, and the length evolution has a quasi-annual signature. We show that the origin of these effects is unlikely to be related to atmospheric modeling errors. Rates of change of the transatlantic Westford-Wettzell and Richmond-Wettzell baseline lengths calculated from 1988 through 1991 agree with the NUVEL-1 plate motion model (Argus and Gordon, 1991) to within 1 mm/yr. Short-term (less than 90 days) variations of IRIS-A baseline length measurements contribute more than 90% of the observed scatter about a best fit line, and this short-term scatter has large variations on an annual time scale.

Macmillan, D. S.↗
NASA NTRS1996

The Single Event Effect Characteristics of the 486-DX4 Microprocessor

This research describes the development of an experimental radiation testing environment to investigate the single event effect (SEE) susceptibility of the 486-DX4 microprocessor. SEE effects are caused by radiation particles that disrupt the logic state of an operating semiconductor, and include single event upsets (SEU) and single event latchup (SEL). The relevance of this work can be applied directly to digital devices that are used in spaceflight computer systems. The 486-DX4 is a powerful commercial microprocessor that is currently under consideration for use in several spaceflight systems. As part of its selection process, it must be rigorously tested to determine its overall reliability in the space environment, including its radiation susceptibility. The goal of this research is to experimentally test and characterize the single event effects of the 486-DX4 microprocessor using a cyclotron facility as the fault-injection source. The test philosophy is to focus on the "operational susceptibility," by executing real software and monitoring for errors while the device is under irradiation. This research encompasses both experimental and analytical techniques, and yields a characterization of the 486-DX4's behavior for different operating modes. Additionally, the test methodology can accommodate a wide range of digital devices, such as microprocessors, microcontrollers, ASICS, and memory modules, for future testing. The goals were achieved by testing with three heavy-ion species to provide different linear energy transfer rates, and a total of six microprocessor parts were tested from two different vendors. A consistent set of error modes were identified that indicate the manner in which the errors were detected in the processor. The upset cross-section curves were calculated for each error mode, and the SEU threshold and saturation levels were identified for each processor. Results show a distinct difference in the upset rate for different configurations of the on-chip cache, as well as proving that one vendor is superior to the other in terms of latchup susceptibility. Results from this testing were also used to provide a mean-time-between-failure estimate of the 486-DX4 operating in the radiation environment for the International Space Station.

Kouba, Coy↗
DOE OSTI2020

Comparison of fluence-rate determination techniques for the Advanced Test Reactor-Critical Facility

A technique using small, enriched uranium-aluminum alloy monitors to measure fission rates in fuel plate assembly reactors was developed at the Idaho National Laboratory Radiation Measurements Laboratory in support of Advanced Test Reactor Critical (ATR-C) Facility irradiations. Previous measurements were performed to determine the correlation between the beta-particle activity and the fission rate in the U-Al monitors following irradiation. The American Society for Testing and Materials (ASTM) has established a standard practice E704 for determining neutron fluence rate by radioactivation of depleted uranium by measuring the concentration of fission-products in irradiated uranium monitors. Rather than measuring the beta-particle decay from fission-products, the decay rate of fission-products is determined by gamma-ray spectroscopy. The feasibility of using a method adapted from the ASTM standard practice E704 was investigated for ATR-C irradiations and compared to the present method by analyzing a subset of 21 monitor wires using both methods. The resulting calculated fission rates agreed with an average standard deviation of 7.45%, within the average combined measurement error of 9.05%. Practical considerations such as expected fluence-rates, sample activity, and counting-time were compared between the two methods and the sources of error for each method were investigated. Quality assurance measurements utilizing the modified ASTM standard method are recommended for future test irradiation, but gross-beta-particle counting remains the most practical solution for ATR-C fluence-rate determination.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2023

Characterization of Errors in Satellite-Based HCHO/NO 2 Tropospheric Column Ratios With Respect to Chemistry, Column-to-PBL Translation, Spatial Representation, and Retrieval Uncertainties

The availability of formaldehyde (HCHO) (a proxy for volatile organic compound reactivity) and nitrogen dioxide (NO 2 ) (a proxy for nitrogen oxides) tropospheric columns from ultraviolet–visible (UV–Vis) satellites has motivated many to use their ratios to gain some insights into the near-surface ozone sensitivity. Strong emphasis has been placed on the challenges that come with transforming what is being observed in the tropospheric column to what is actually in the planetary boundary layer (PBL) and near the surface; however, little attention has been paid to other sources of error such as chemistry, spatial representation, and retrieval uncertainties. Here we leverage a wide spectrum of tools and data to quantify those errors carefully. Concerning the chemistry error, a well-characterized box model constrained by more than 500 h of aircraft data from NASA's air quality campaigns is used to simulate the ratio of the chemical loss of HO 2 + RO 2 (LRO x ) to the chemical loss of NO x (LNO x ). Subsequently, we challenge the predictive power of HCHO/NO 2 ratios (FNRs), which are commonly applied in current research, in detecting the underlying ozone regimes by comparing them to LRO x /LNO x . FNRs show a strongly linear (R 2 =0.94) relationship with LRO x /LNO x , but only on the logarithmic scale. Following the baseline (i.e., ln(LRO x /LNO x ) = −1.0 ± 0.2) with the model and mechanism (CB06, r2) used for segregating NO x -sensitive from VOC-sensitive regimes, we observe a broad range of FNR thresholds ranging from 1 to 4. The transitioning ratios strictly follow a Gaussian distribution with a mean and standard deviation of 1.8 and 0.4, respectively. This implies that the FNR has an inherent 20 % standard error (1σ) resulting from not accurately describing the RO x –HO x cycle. We calculate high ozone production rates (PO 3 ) dominated by large HCHO × NO 2 concentration levels, a new proxy for the abundance of ozone precursors. The relationship between PO 3 and HCHO × NO 2 becomes more pronounced when moving towards NO x -sensitive regions due to nonlinear chemistry; our results indicate that there is fruitful information in the HCHO × NO 2 metric that has not been utilized in ozone studies. The vast amount of vertical information on HCHO and NO 2 concentrations from the air quality campaigns enables us to parameterize the vertical shapes of FNRs using a second-order rational function permitting an analytical solution for an altitude adjustment factor to partition the tropospheric columns into the PBL region. We propose a mathematical solution to the spatial representation error based on modeling isotropic semivariograms. Based on summertime-averaged data, the Ozone Monitoring Instrument (OMI) loses 12 % of its spatial information at its native resolution with respect to a high-resolution sensor like the TROPOspheric Monitoring Instrument (TROPOMI) (> 5.5 × 3.5 km 2 ). A pixel with a grid size of 216 km 2 fails at capturing ∼ 65 % of the spatial information in FNRs at a 50 km length scale comparable to the size of a large urban center (e.g., Los Angeles). We ultimately leverage a large suite of in situ and ground-based remote sensing measurements to draw the error distributions of daily TROPOMI and OMI tropospheric NO 2 and HCHO columns. At a 68 % confidence interval (1σ), errors pertaining to daily TROPOMI observations, either HCHO or tropospheric NO 2 columns, should be above 1.2–1.5 × 10 16 molec. cm −2 to attain a 20 %–30 % standard error in the ratio. This level of error is almost non-achievable with the OMI given its large error in HCHO. The satellite column retrieval error is the largest contributor to the total error (40 %–90 %) in the FNRs. Due to a stronger signal in cities, the total relative error (< 50 %) tends to be mild, whereas areas with low vegetation and anthropogenic sources (e.g., the Rocky Mountains) are markedly uncertain (> 100 %). Our study suggests that continuing development in the retrieval algorithm and sensor design and calibration is essential to be able to advance the application of FNRs beyond a qualitative metric.

Amir H. Souri↗
NASA NTRS2008

The Limits of Coding with Joint Constraints on Detected and Undetected Error Rates

We develop a remarkably tight upper bound on the performance of a parameterized family of bounded angle maximum-likelihood (BA-ML) incomplete decoders. The new bound for this class of incomplete decoders is calculated from the code's weight enumerator, and is an extension of Poltyrev-type bounds developed for complete ML decoders. This bound can also be applied to bound the average performance of random code ensembles in terms of an ensemble average weight enumerator. We also formulate conditions defining a parameterized family of optimal incomplete decoders, defined to minimize both the total codeword error probability and the undetected error probability for any fixed capability of the decoder to detect errors. We illustrate the gap between optimal and BA-ML incomplete decoding via simulation of a small code.

Undetected Error Rate↗
DOE OSTI2023

tih_vqe [SWR-23-32]

This software supports the paper, "Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules," published in the International Journal of Quantum Chemistry, whose abstract is as follows: Materials simulations involving strongly correlated electrons pose fundamental challenges to state-of-the-art electronic structure methods but are hypothesized to be the ideal use case for quantum computing. To date, no quantum computer has simulated a molecule of a size and complexity relevant to real-world applications, despite the fact that the variational quantum eigensolver (VQE) algorithm can predict chemically accurate total energies. Nevertheless, because of the many applications of moderately-sized, strongly correlated systems, such as molecular catalysts, the successful use of the VQE stands as an important waypoint in the advancement toward useful chemical modeling on near-term quantum processors. In this paper, we take a significant step in this direction. We lay out the steps, write, and run parallel code for an (emulated) quantum computer to compute the bond dissociation curves of the TiH, LiH, NaH, and KH diatomic hydride molecules using VQE. TiH was chosen as a relatively simple chemical system that incorporates d orbitals and strong electron correlation. Because current VQE implementations on existing quantum hardware are limited by qubit error rates, the number of qubits available, and the allowable gate depth, recent studies have focused on chemical systems involving s and p block elements. Through VQE + UCCSD calculations of TiH, we evaluate the near-term feasibility of modeling a molecule with d-orbitals on real quantum hardware. We demonstrate that the inclusion of d-orbitals and the use of the UCCSD ansatz, which are both necessary to capture the correct TiH physics, dramatically increase the cost of this problem. We estimate the approximate error rates necessary to model TiH on current quantum computing hardware using VQE+UCCSD and show them to likely be prohibitive until significant improvements in hardware and error correction algorithms are available.

Graf, Peter↗
DOE OSTI2023

Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules

Abstract Materials simulations involving strongly correlated electrons pose fundamental challenges to state‐of‐the‐art electronic structure methods but are hypothesized to be the ideal use case for quantum computing algorithms. To date, no quantum computer has simulated a molecule of a size and complexity relevant to real‐world applications, despite the fact that the variational quantum eigensolver (VQE) algorithm can predict chemically accurate total energies. Nevertheless, because of the many applications of moderately sized, strongly correlated systems, such as molecular catalysts, the successful use of the VQE stands as an important waypoint in the advancement toward useful chemical modeling on near‐term quantum processors. In this paper, we take a significant step in this direction. We lay out the steps, write, and run parallel code for an (emulated) quantum computer to compute the bond dissociation curves of the TiH, LiH, NaH, and KH diatomic hydride molecules using the VQE. TiH was chosen as a relatively simple chemical system that incorporates d orbitals and strong electron correlation. Because current VQE implementations on existing quantum hardware are limited by qubit error rates, the number of qubits available, and the allowable gate depth, recent studies using it have focused on chemical systems involving s and p block elements. Through VQE + UCCSD calculations of TiH, we evaluate the near‐term feasibility of modeling a molecule with d‐orbitals on real quantum hardware. We demonstrate that the inclusion of d‐orbitals and the use of the UCCSD ansatz, which are both necessary to capture the correct TiH physics, dramatically increase the cost of this problem. We estimate the approximate error rates necessary to model TiH on current quantum computing hardware using VQE + UCCSD and show them to likely be prohibitive until significant improvements in hardware and error correction algorithms are available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1978

Prediction, evaluation, and specification of flying qualities by means of step target tracking

A new approach to flying qualities specification and evaluation is presented which coordinates current research in the areas of pilot ratings, pilot-aircraft modeling techniques, and simulation and flight test procedures. A time-domain pilot model is described which can model discontinuous and nonlinear pilot behavior in conjunction with completely general time-varying nonlinear aircraft models to simulate discrete maneuvers. This pilot-aircraft model is applied to an existing set of in-flight simulation data, and calculates tracking error and time-on-target statistics for step target tracking that directly relate to the reported pilot comments and ratings. Predicted step target tracking data for eighteen F-5E flight conditions are presented, and the use of the method for control system design is demonstrated using the YF-17.

Onstott, E. D.↗
NASA NTRS1977

VLBI clock sync and the earth's rotational instability

Preparation is being made by the DSN to monitor the stability of its clocks and frequency standards in the 64 meter net by means of VLBI. Since variations in the earth's rotation rate represent an error source to VLBI clock synchronization, the Allan Variance of the earth rotation was calculated to find that, in a long-term sense at least, these variations do not noticeably increase the differential instability of two clocks as measured by Intercontinental VLBI.

Layland, A. W.↗
NASA NTRS1978

Upper bound and probable value of the rate constant of the reaction OH + HO2 yields H2O + O2

Discharge-flow experiments at 295 K of the OH + HO2 reaction are described in which excess O3 is added to OH through a movable injector; OH concentration is measured downstream by resonance fluorescence with and without addition of excess NO just upstream of the detector so that both OH concentration and OH concentration + HO2 concentration are determined independently. The data are compared with a computer model involving 12 reaction steps. A simple sensitivity analysis is carried out to establish how errors in the other 'known' rate constants affect the data fit. Best agreement is obtained between computer calculations and experiments when k1 for the OH + HO2 reaction is in the range 2-3 x 10 to the -11th cu cm/s. Values above about 5 x 10 to the -11th are very unlikely whereas those below about 1 x 10 to the -11th are less strongly excluded.

Chang, J. S.↗