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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 919 records · Page 51

Estimation of sensor measurement errors in reactor coolant systems using multi-sensor fusion

A nuclear power plant is typically instrumented with a variety of sensors to continually monitor its variables, and their sensor’s measurements may be used to assess the plant state and initiate safety actions, if needed. Errors in sensor measurements, due to factors such as calibration drifts, critically affect such state assessments. Here, we address a problem of estimating sensor errors using physics-informed machine learning methods that use measurements collected under known plant conditions. For a given sensor, we propose an information fusion method that uses measurements from other sensors to estimate its output assuming it is error-free and provides its difference from an actual measurement as an error estimate. We present the ensemble of trees and support vector machine fusers, and evaluate their performance using measurements collected over an emulated test loop of a pressurized water reactor. The plant variables are related to each other through the underlying physical laws under inertial constraints that place bounds on their derivatives, which analytically justify the applicability of machine learning methods for computing these fusers. Under twenty scenarios, we assess their sensor error estimates for pressure sensors of the heat exchanger of a reactor’s primary coolant system. Multiple types of errors are captured by both fusers under externally induced calibration drifts, blockages, minor leaks and air gaps in sensing lines, and electromagnetic interference; the root mean square error of the estimation of error is under 2.2% percent of the maximum measurement. We present generalization equations, in the framework of statistical learning theory, for these methods that characterize the confidence probability that the estimation error is bounded by a specified parameter in future test scenarios.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Data-Efficient Generation of Protein Conformational Ensembles with Backbone-to-Side-Chain Transformers

Excitement at the prospect of using data-driven generative models to sample configurational ensembles of biomolecular systems stems from the extraordinary success of these models on a diverse set of high-dimensional sampling tasks. Unlike image generation or even the closely related problem of protein structure prediction, there are currently no data sources with sufficient breadth to parametrize generative models for conformational ensembles. To enable discovery, a fundamentally different approach to building generative models is required: models should be able to propose rare, albeit physical, conformations that may not arise in even the largest data sets. Here, in this work, we introduce a modular strategy to generate conformations based on “backmapping” from a fixed protein backbone that (1) maintains conformational diversity of the side chains and (2) couples the side-chain fluctuations using global information about the protein conformation. Our model combines simple statistical models of side-chain conformations based on rotamer libraries with the now ubiquitous transformer architecture to sample with atomistic accuracy. Together, these ingredients provide a strategy for rapid data acquisition and hence a crucial ingredient for scalable physical simulation with generative neural networks.

36 MATERIALS SCIENCE↗

Surface-sensitive photon avalanche behavior revealed by single-avalanching-nanoparticle imaging

Avalanching nanoparticles (ANPs) are a new class of lanthanide-based upconverting material demonstrating steep optical nonlinearities with the potential to advance applications ranging from subwavelength bioimaging to neuromorphic computing, nanothermometry, and pressure transduction. Here, we use single-nanocrystal imaging to uncover design-dependent heterogeneity in ANP threshold intensity (I th ). Quantitative comparisons between distributions of I th and ANP shell properties reveal correlations between mean I th values, histogram widths, and nanocrystal shell thickness. Evaluating avalanching behaviors using an established model of shell-dependent surface energy transfer shows that variations in shell thickness-and the resultant energy transfer through the shell to the surface and environment-are likely the primary contributor to ANP-to-ANP I th heterogeneity. Further, nanocrystals with an ~6 nm average shell thickness show I th heterogeneity beyond the extent expected from statistical measurements of shell size and variability using transmission electron microscopy (TEM). Here these results provide a principal guide for the design and application of ANPs to environmental sensing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Origin of the “odd” behavior in the ultraviolet photochemistry of ozone

Significance This study solves a 30-y mystery about the origin of dramatic oscillations in the quantum product states of 16 O 3 upon photodissociation. Ozone is a key component of the atmosphere and undergoes complex cycles of formation and destruction by photodissociation and reaction. These dynamics are a rich proving ground for theories of quantum reaction dynamics as well as subtleties such as nuclear spin-statistics and symmetry. A previous theory constructed to explain the observed oscillations, although plausible, was not fully consistent with experimental measurements. Our quantum model and calculations show conclusively the origin of the effect, and match new more detailed experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fredkin Staircase: An Integrable System with a Finite-Frequency Drude Peak

We introduce and explore an interacting integrable cellular automaton, the Fredkin staircase, that lies outside the existing classification of such automata, and has a structure that seems to lie beyond that of any existing Bethe-solvable model. The Fredkin staircase has two families of ballistically propagating quasiparticles, each with infinitely many species. Despite the presence of ballistic quasiparticles, charge transport is diffusive in the d.c. limit, albeit with a highly non- gaussian dynamic structure factor. Remarkably, this model exhibits persistent temporal oscillations of the current, leading to a delta-function singularity (Drude peak) in the a.c. conductivity at nonzero frequency. Here, we analytically construct an extensive set of operators that anticommute with the time-evolution operator; the existence of these operators both demonstrates the integrability of the model and allows us to lower-bound the weight of this finite-frequency singularity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem’s wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.

Alnajjar, Anees↗

Precipitation Efficiency in the Tropical Deep Convective Regime

Precipitation efficiency in the tropical deep convective regime is analyzed based on a 2-D cloud resolving simulation. The cloud resolving model is forced by the large-scale vertical velocity and zonal wind and large-scale horizontal advections derived from TOGA COARE for a 20-day period. Precipitation efficiency may be defined as a ratio of surface rain rate to sum of surface evaporation and moisture convergence (LSPE) or a ratio of surface rain rate to sum of condensation and deposition rates of supersaturated vapor (CMPE). Moisture budget shows that the atmosphere is moistened (dryed) when the LSPE is less (more) than 100 %. The LSPE could be larger than 100 % for strong convection. This indicates that the drying processes should be included in cumulus parameterization to avoid moisture bias. Statistical analysis shows that the sum of the condensation and deposition rates is bout 80 % of the sum of the surface evaporation rate and moisture convergence, which ads to proportional relation between the two efficiencies when both efficiencies are less han 100 %. The CMPE increases with increasing mass-weighted mean temperature and creasing surface rain rate. This suggests that precipitation is more efficient for warm environment and strong convection. Approximate balance of rates among the condensation, deposition, rain, and the raindrop evaporation is used to derive an analytical solution of the CMPE.

Li, Xiaofan↗

Decoding defect statistics from diffractograms via machine learning

Abstract Diffraction techniques can powerfully and nondestructively probe materials while maintaining high resolution in both space and time. Unfortunately, these characterizations have been limited and sometimes even erroneous due to the difficulty of decoding the desired material information from features of the diffractograms. Currently, these features are identified non-comprehensively via human intuition, so the resulting models can only predict a subset of the available structural information. In the present work we show (i) how to compute machine-identified features that fully summarize a diffractogram and (ii) how to employ machine learning to reliably connect these features to an expanded set of structural statistics. To exemplify this framework, we assessed virtual electron diffractograms generated from atomistic simulations of irradiated copper. When based on machine-identified features rather than human-identified features, our machine-learning model not only predicted one-point statistics (i.e. density) but also a two-point statistic (i.e. spatial distribution) of the defect population. Hence, this work demonstrates that machine-learning models that input machine-identified features significantly advance the state of the art for accurately and robustly decoding diffractograms.

36 MATERIALS SCIENCE↗

A simple model for straggling evaluation

Some straggling models had largely been abandoned in favor of Monte Carlo simulations of straggling which are accurate but time consuming, limiting their application in practice. The difficulty of simple analytic models is the failure to give accurate values past 85% of the particle range. A simple model is derived herein based on a second order approximation upon which rapid analysis tools are developed for improved understanding of material charged particle transmission properties. Published by Elsevier Science B.V.

Models, Statistical↗

A study of turbulent flow between parallel plates by a statistical method

Turbulent Couette flow between parallel plates was studied from a statistical mechanics approach utilizing a model equation, similar to the Boltzmann equation of kinetic theory, which was proposed by Lundgren from the velocity distribution of fluid elements. Solutions to this equation are obtained numerically, employing the discrete ordinate method and finite differences. Two types of boundary conditions on the distribution function are considered, and the results of the calculations are compared to available experimental data. The research establishes that Lundgren's equation provides a very good description of turbulence for the flow situation considered and that it offers an analytical tool for further study of more complex turbulent flows. The present work also indicates that modelling of the boundary conditions is an area where further study is required.

Srinivasan, R.↗

Operational Implementation of a 2-Hour Prebreathe Protocol for International Space Station

Procedures, equipment, and analytical techniques were developed to implement the ground tested 2-hour protocol in-flight operations. The methods are: 1) The flight protocol incorporates additional safety margin over the ground tested protocol. This includes up to 20 min of additional time on enriched O2 during suit purge and pressure check, increased duration of extravehicular activity (EVA) preparation exercise during O2 prebreathing (up to 90 min vs; the tested 24 min), and reduced rates of depressurization. The ground test observations were combined with model projections of the conservative measures (using statistical models from Duke University and NASA JSQ to bound the risk of Type I and Type II decompression sickness (DCS). 2) An inflight exercise device using the in-flight ergometer and elastic tubes for upper body exercise was developed to replicate the dual cycle exercise in the ground trials. 3) A new in-flight breathing system was developed and man-tested. 4) A process to monitor inflight experience with the protocol, including the use of an in-suit Doppler bubble monitor when available, was developed. The results are: 1) The model projections of the conservative factors of the operational protocol were shown to reduce the risk of DCS to levels consistent with the observations of no DCS to date in the shuttle program. 2) Cross over trials of the dual cycle ergometer used in ground tests and the in-flight exercise system verified that02consumption and the % division of work between upper and lower body was not significantly different at the p= 0.05 level. 3) The in-flight breathing system was demonstrated to support work rates generating 75% O2(max) in 95 percentile subjects. 4) An in-flight monitoring plan with acceptance criteria was put in place for the 2-hour prebreathe protocol. And the conclusions are: The 2-hour protocol has been approved for flight, and all implementation efforts are in place to allow use of the protocol as early as flight ISS 7A, now scheduled in November of 2000.

Waligora, James M.↗

Machine Learning Approaches for Nuclear Material Accounting Data from Irradiation and Reprocessing

We are currently exploring data analysis methods for their ability to strengthen the synthesis and evaluation of information generated within domestic and international safeguard regimes. Safeguard data typically includes rich heterogenous datasets amenable to advanced data analytics methods, such as machine learning. We have converted transactional data containing both numerical and categorical attributes from a domestic nuclear material control and accountability (NMC&A) system into a low-dimensional numerical structure via linear principal component analysis. This data representation allows for global structure discovery via cluster analysis, which can characterize the typical behavior of each of the primary types of transaction events. Furthermore, the structure of the top principal components captures the “typical behavior” of the data and is thus amenable to anomaly detection through statistical hypothesis testing. We explored this capability by generating erroneous permutations of the data and computing the Q-residual quantity increase associated with the information loss when these data are projected into the low-dimensional principal component analysis space representative of typical transactions.Future work will focus on identifying data transformations (e.g., graph networks) that more closely align with the inherent structure of these transactions to explain more salient information and disambiguate the underlying nuclear process—in this case, irradiation and reprocessing—from artifacts of NMC&A system transactional record keeping data.

Drescher, Adam↗

Time-dependent relaxation of observables in complex quantum systems

Abstract We consider time-dependent relaxation of observables in quantum systems of chaotic and regular type. Using statistical arguments and exact numerical solutions we show that the spread of the initial wave function in the Hilbert space and the main characteristics of evolution of observables have certain generic features. The study compares examples of regular dynamics, a completely chaotic case of the Gaussian orthogonal ensemble, a bosonic system with random interactions, and a fully realistic case of the time evolution of various initial non-stationary states in the nuclear shell model. In the case of the Gaussian orthogonal ensemble we show that the survival probability obtained analytically also fully defines the relaxation timescale of observables. This is not the case in general. Using the realistic nuclear shell model and the quadrupole moment as an observable we demonstrate that the relaxation time is significantly longer than defined by the survival probability of the initial state. The full analysis does not show the presence of an analog of the Lyapunov exponent characteristic for examples of classical chaos.

Volya, Alexander (ORCID:0000000217656466)↗

BPS chaos

Black holes are chaotic quantum systems that are expected to exhibit random matrix statistics in their finite energy spectrum. Lin, Maldacena, Rozenberg and Shan (LMRS) have proposed a related characterization of chaos for the ground states of BPS black holes with finite area horizons. On a separate front, the “fuzzball program” has uncovered large families of horizon-free geometries that account for the entropy of holographic BPS systems, but only in situations with sufficient supersymmetry to exclude finite area horizons. The highly structured, non-random nature of these solutions seems in tension with strong chaos. We verify this intuition by performing analytic and numerical calculations of the LMRS diagnostic in the corresponding boundary quantum system. In particular we examine the 1/2 and 1/4-BPS sectors of \mathcal{N}=4 𝒩 = 4 SYM, and the two charge sector of the D1-D5 CFT. We find evidence that these systems are only weakly chaotic, with a Thouless time determining the onset of chaos that grows as a power of N N . In contrast, finite horizon area BPS black holes should be strongly chaotic, with a Thouless time of order one. In this case, finite energy chaotic states become BPS as N N is decreased through the recently discovered “fortuity” mechanism. Hence they can plausibly retain their strongly chaotic character.

Chen, Yiming (ORCID:0000000218613230)↗

Consolidation of fatigue and fatigue-crack-propagation data for design use

Analytical methods developed for consolidation of fatigue and fatigue-crack-propagation data for use in design of metallic aerospace structural components are evaluated. A comprehensive file of data on 2024 and 7075 aluminums, Ti-6Al-4V alloy, and 300M steel was established by obtaining information from both published literature and reports furnished by aerospace companies. Analyses are restricted to information obtained from constant-amplitude load or strain cycling of specimens in air at room temperature. Both fatigue and fatigue-crack-propagation data are analyzed on a statistical basis using a least-squares regression approach. For fatigue, an equivalent strain parameter is used to account for mean stress or stress ratio effects and is treated as the independent variable; cyclic fatigue life is considered to be the dependent variable. An effective stress-intensity factor is used to account for the effect of load ratio on fatigue-crack-propagation and treated as the independent variable. In this latter case, crack-growth rate is considered to be the dependent variable. A two term power function is used to relate equivalent strain to fatigue life, and an arc-hyperbolic-tangent function is used to relate effective stress intensity to crack-growth rate.

Rice, R. C.↗

The estimation of pointing angle and normalized surface scattering cross section from GEOS-3 radar altimeter measurements

The statistical error of the pointing angle estimation technique is determined as a function of the effective receiver signal to noise ratio. Other sources of error are addressed and evaluated with inadequate calibration being of major concern. The impact of pointing error on the computation of normalized surface scattering cross section (sigma) from radar and the waveform attitude induced altitude bias is considered and quantitative results are presented. Pointing angle and sigma processing algorithms are presented along with some initial data. The intensive mode clean vs. clutter AGC calibration problem is analytically resolved. The use clutter AGC data in the intensive mode is confirmed as the correct calibration set for the sigma computations.

Brown, G. S.↗

Interpretation of F106B and CV580 in-flight lightning data and form factor determination

Two topics of in-flight aircraft/lightning interaction are addressed. The first is the analysis of measured data from the NASA F106B Thunderstorm Research Aircraft and the CV580 research program run by the FAA and Wright-Patterson Air Force Base. The CV580 data was investigated in a mostly qualitative sense, while the F106B data was subjected to both statistical and quantitative analysis using linear triggered lightning finite difference models. The second main topic is the analysis of field mill data and the calibration of the field mill systems. The calibration of the F106B field mill system was investigated using an improved finite difference model of the aircraft having a spatial resolution of one-quarter meter. The calibration was applied to measured field mill data acquired during the 1985 thunderstorm season. The experimental determination of form factors useful for field mill calibration was also investigated both experimentally and analytically. The experimental effort involved the use of conducting scale models and an electrolytic tank. An analytic technique was developed to aid in the understanding of the experimental results.

Rudolph, T.↗

Parametric and experimental analysis using a power flow approach

Having defined and developed a structural power flow approach for the analysis of structure-borne transmission of structural vibrations, the technique is used to perform an analysis of the influence of structural parameters on the transmitted energy. As a base for comparison, the parametric analysis is first performed using a Statistical Energy Analysis approach and the results compared with those obtained using the power flow approach. The advantages of using structural power flow are thus demonstrated by comparing the type of results obtained by the two methods. Additionally, to demonstrate the advantages of using the power flow method and to show that the power flow results represent a direct physical parameter that can be measured on a typical structure, an experimental investigation of structural power flow is also presented. Results are presented for an L-shaped beam for which an analytical solution has already been obtained. Furthermore, the various methods available to measure vibrational power flow are compared to investigate the advantages and disadvantages of each method.

Cuschieri, J. M.↗