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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 793 records · Page 44

Automating CPM-GOMS

CPM-GOMS is a modeling method that combines the task decomposition of a GOMS analysis with a model of human resource usage at the level of cognitive, perceptual, and motor operations. CPM-GOMS models have made accurate predictions about skilled user behavior in routine tasks, but developing such models is tedious and error-prone. We describe a process for automatically generating CPM-GOMS models from a hierarchical task decomposition expressed in a cognitive modeling tool called Apex. Resource scheduling in Apex automates the difficult task of interleaving the cognitive, perceptual, and motor resources underlying common task operators (e.g. mouse move-and-click). Apex's UI automatically generates PERT charts, which allow modelers to visualize a model's complex parallel behavior. Because interleaving and visualization is now automated, it is feasible to construct arbitrarily long sequences of behavior. To demonstrate the process, we present a model of automated teller interactions in Apex and discuss implications for user modeling. available to model human users, the Goals, Operators, Methods, and Selection (GOMS) method [6, 21] has been the most widely used, providing accurate, often zero-parameter, predictions of the routine performance of skilled users in a wide range of procedural tasks [6, 13, 15, 27, 28]. GOMS is meant to model routine behavior. The user is assumed to have methods that apply sequences of operators and to achieve a goal. Selection rules are applied when there is more than one method to achieve a goal. Many routine tasks lend themselves well to such decomposition. Decomposition produces a representation of the task as a set of nested goal states that include an initial state and a final state. The iterative decomposition into goals and nested subgoals can terminate in primitives of any desired granularity, the choice of level of detail dependent on the predictions required. Although GOMS has proven useful in HCI, tools to support the construction of GOMS models have not yet come into general use.

GOMS↗

Multi-Mechanism Flood Hazard Assessment: Critical Review of Current Practice and Approaches

This report documents the initial findings from the Nuclear Regulatory commission (NRC)-sponsored research project Methods for Estimating Joint Probabilities of Coincident and Correlated Flooding Mechanisms for Nuclear Power Plant Flood Hazard Assessments.1 This research project is a part of NRC’s Probabilistic Flood Hazard Assessment (PFHA) Research Program and will aid the development of guidance on the use of PFHA methods to evaluate infrastructure safety for existing and proposed US nuclear power plants (NPPs). More specifically, this project intends to provide technical background for the development of flood hazard curves for multi-mechanism floods (MMFs). MMFs are flood events caused by more than one flooding mechanism (e.g., flood events due to the simultaneous occurrence of precipitation-induced river flooding and storm surge). Project activities include three main tasks: Task 1—Survey of current concepts and methods in assessing MMF hazards; Task 2—Critical assessment of selected methods and approaches for quantifying probabilistic MMF hazard risk; Task 3—Development of example case studies to illustrate best practices for quantifying probabilistic MMF hazard risk The initial findings from Tasks 1 and 2 are documented in this report. Task 1 comprised a survey of approaches and methods that have been applied to understand and assess flood hazards due to MMFs. Task 2 involved a critical review of the selected approaches and methods. To that end, the scope of this report includes documentation of (1) a reconnaissance-level survey of the current state of concepts and practice for MMF hazard assessment; (2) a generalized MMF assessment framework to address the distinctions among various types of flood-forcing phenomena, flood mechanisms (grouped into three mechanism types), and flood severity metrics; (3) a wide-ranging survey of approaches and methods that have been applied to various flooding phenomena and settings; and (4) a critical assessment of MMF hazard assessment methods. Studies were identified involving MMFs related to coastal flooding mechanisms, fluvial (rivers/streams) flooding mechanisms, and associated combinations of coastal and fluvial flooding mechanisms. Studies were also identified that address MMFs involving coastal and fluvial flooding mechanisms as well as coastal flooding mechanisms along with extreme precipitation (without specific attribution to fluvial or pluvial mechanisms). The studies identified for review in this report included assessments at varying spatial scales (from local to global) with differing geographic regions of focus using both observed and synthetic data. The majority of studies identified and reviewed were site-specific assessments focusing on relatively short return periods. Studies considered a range of flood severity metrics, made differing assumptions regarding the occurrence of extrema, and used multiple statistical techniques; the use of copulas for the development of joint distributions was a particularly popular analysis technique. The literature review highlighted the differences among existing studies relative to terminology used, means of presenting results, framework and techniques employed, and level of sophistication regarding the number and types of variables considered. Despite the significant diversity in existing studies, the review identified several promising techniques that will be considered in future work under this project, including the development of joint distributions for MMFs using copula and Bayesian-motivated approaches.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Estimating rates and patterns of diversification with incomplete sampling: a case study in the rosids

Premise Recent advances in generating large‐scale phylogenies enable broad‐scale estimation of species diversification. These now common approaches typically are characterized by (1) incomplete species coverage without explicit sampling methodologies and/or (2) sparse backbone representation, and usually rely on presumed phylogenetic placements to account for species without molecular data. We used empirical examples to examine the effects of incomplete sampling on diversification estimation and provide constructive suggestions to ecologists and evolutionary biologists based on those results. Methods We used a supermatrix for rosids and one well‐sampled subclade (Cucurbitaceae) as empirical case studies. We compared results using these large phylogenies with those based on a previously inferred, smaller supermatrix and on a synthetic tree resource with complete taxonomic coverage. Finally, we simulated random and representative taxon sampling and explored the impact of sampling on three commonly used methods, both parametric (RPANDA and BAMM) and semiparametric (DR). Results We found that the impact of sampling on diversification estimates was idiosyncratic and often strong. Compared to full empirical sampling, representative and random sampling schemes either depressed or inflated speciation rates, depending on methods and sampling schemes. No method was entirely robust to poor sampling, but BAMM was least sensitive to moderate levels of missing taxa. Conclusions We suggest caution against uncritical modeling of missing taxa using taxonomic data for poorly sampled trees and in the use of summary backbone trees and other data sets with high representative bias, and we stress the importance of explicit sampling methodologies in macroevolutionary studies.

59 BASIC BIOLOGICAL SCIENCES↗

Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia

Cost versus accuracy trade-offs are frequently encountered in materials science and engineering, where a particular property of interest can be measured/computed at different levels of accuracy or fidelity. Naturally, the most accurate measurement is also the most resource and time intensive, while the inexpensive quicker alternatives tend to be noisy. In such situations, a number of machine learning (ML) based multifidelity information fusion (MFIF) strategies can be employed to fuse information accessible from varying sources of fidelity and make predictions at the highest level of accuracy. In this work, we perform a comparative study on traditionally employed single-fidelity and three MFIF strategies, namely, (1) Δ-learning, (2) low-fidelity as a feature, and (3) multifidelity cokriging (CK) to compare their relative prediction accuracies and efficiencies for accelerated property predictions and high throughput chemical space explorations. We perform our analysis using a dopant formation energy data set for hafnia, which is a well-known high- k material and is being extensively studied for its promising ferroelectric, piezoelectric, and pyroelectric properties. We use a dopant formation energy data set of 42 dopants in hafnia—each studied in six different hafnia phases—computed at two levels of fidelities to find merits and limitations of these ML strategies. The findings of this work indicate that the MFIF based learning schemes outperform the traditional SF machine learning methods, such as Gaussian process regression and CK provides an accurate, inexpensive and flexible alternative to other MFIF strategies. While the results presented here are for the case study of hafnia, they are expected to be general. Furthermore, materials discovery problems that involve huge chemical space explorations can be studied efficiently (or even made feasible in some situations) through a combination of a large number of low-fidelity and a few high-fidelity measurements/computations, in conjunction with the CK approach.

36 MATERIALS SCIENCE↗

Methods of improving spatial resolution for IR spectroscopy in atmospheric-pressure plasma systems

High-temperature, atmospheric pressure plasma systems operated in molecular gases present complex diagnostic challenges. Infrared spectroscopy has been used to make measurements of the absorbance spectrum of complex molecular gas mixtures and thereby calculate the concentrations and species temperatures in these systems. For atmospheric-pressure systems, high spatial gradients arise and high spatial-resolution measurements are thus desirable. Some systems have achieved increased spatial resolution by reducing the beam diameter. However, this increase in spatial resolution comes at the expense of the optical throughput. Here we propose modifying a commercial Fourier Transform, Infrared spectrometer system with a set of simple optical elements. This design allows for scannable, high spatial resolution absorbance spectrum measurements of a complex molecular gas mix. We analyze the signal-to-noise ratio for this design and compare it with the diameter reduction method. For sufficiently low plasma radiation levels, this design improves the signal-to-noise ratio relative to reducing the beam diameter size while transmitting nearly all of the beam power. Furthermore, whether this design can achieve the desired sub-mm spatial resolution depends on the radiating area of the infrared light source in the spectrometer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pseudo-fragment approach for extended systems derived from linear-scaling DFT

We present a computational approach which is tailored for reducing the complexity of the description of extended systems at the density functional theory level. We define a recipe for generating a set of localized basis functions which arc optimized either for the accurate description of pristine, bulk-like Wannier functions, or for the in situ treatment of deformations induced by defective constituents such as boundaries or impurities. Our method enables one to identify the regions of an extended system which require dedicated optimization of the Kohn-Sham degrees of freedom, and provides the user with a reliable estimation of the errors-if any-induced by the locality of the approach. Such a method facilitates on the one hand an effective reduction of the computational degrees of freedom needed to simulate systems at the nanoscale, while in turn providing a description that can be straightforwardly put in relation to effective models, like tight binding Hamiltonians. In conclusion, we present our methodology with SiC nanotube-like cages as a test bed. Nonetheless, the wavelet-based method employed in this paper makes possible calculation of systems with different dimensionalities, including slabs and fully periodic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Comparing Regional Energy Consumption for Direct Drone and Truck Deliveries

Drone delivery, once thought of as fictitious, is becoming a reality with the efforts of both forward-looking enterprises and supportive government policies. This emerging mode of e-commerce delivery raises many concerns. One important concern is the energy efficiency of direct delivery drones compared with conventional delivery trucks at a regional systems level. Here, in this study, we develop and apply methods to quantify the regional energy impacts of drone delivery, then we assess these impacts and compare them with the impacts of truck delivery. To study this problem, we develop an optimization model that determines an optimal set of fulfillment centers (FCs) with variable service capacities that allow drones to make direct e-commerce deliveries. We adopt two drone delivery energy estimation models from the literature and use them as inputs to demonstrate the potential range of energy needs. We also develop another optimization model to account for the energy consumption of diesel trucks (DTs) and battery electric vehicles (BEVs). We test the models using validated simulation data for the Chicago metropolitan area in the U.S. to quantify the energy implications of these three delivery modes. For drone delivery, we further extend our analyses by considering the impact of wind speed and flight patterns. Our results show that direct delivery drones require 15.8% more energy than BEVs on an average windy day, and they need 15% more energy than DTs on a very windy day. We provide essential parameter values for reproducibility and list relevant open problems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Atomic Decay Data for Modeling K Lines of Iron Peak and Light Odd-Z Elements*

Complete data sets of level energies, transition wavelengths, A-values, radiative and Auger widths and fluorescence yields for K-vacancy levels of the F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn isonuclear sequences have been computed by a Hartree-Fock method that includes relativistic corrections as implemented in Cowan's atomic structure computer suite. The atomic parameters for more than 3 million fine-structure K lines have been determined. Ions with electron number N greater than 9 are treated for the first time, and detailed comparisons with available measurements and theoretical data for ions with N less than or equal to 9 are carried out in order to estimate reliable accuracy ratings.

modeling K lines↗

A Method of Estimating Low Turbulence Levels in Near Real Time Using Laser Anemometry

Laser anemometry was used to make two independent measurements of the flow velocity by capturing individual Doppler signals with high-speed digitizing boards. The two independent measurements were cross-correlated to reduce the contribution of photo detector shot noise on the frequency determination and subsequently on the turbulence estimate. In addition, criteria were developed to eliminate "bad" Doppler bursts from the data set, which then allowed reasonable low turbulence estimates to be made. The laser anemometer measurements were obtained at the inlet of an annular cascade and at the exit of a flow calibration nozzle and were compared with hot-wire data.

Goldman, Louis J.↗

Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

The computational bottleneck of the extremely fast simplified Tamm-Dancoff approximated (sTDA) time-dependent density functional theory procedure [S. Grimme, J. Chem. Phys. 138, 244104 (2013)] for the computation of electronic spectra for large systems is the determination of the ground state Kohn-Sham orbitals and eigenvalues. This limits such treatments to single structures with a few hundred atoms and hence, e.g., sampling along molecular dynamics trajectories for flexible systems or the calculation of chromophore aggregates is often not possible. The aim of this work is to solve this problem by a specifically designed semi-empirical tight binding (TB) procedure similar to the well established self-consistent-charge density functional TB scheme. The new special purpose method provides orbitals and orbital energies of hybrid density functional character for a subsequent and basically unmodified sTDA procedure. Compared to many previous semi-empirical excited state methods, an advantage of the ansatz is that a general eigenvalue problem in a non-orthogonal, extended atomic orbital basis is solved and therefore correct occupied/virtual orbital energy splittings as well as Rydberg levels are obtained. A key idea for the success of the new model is that the determination of atomic charges (describing an effective electron-electron interaction) and the one-particle spectrum is decoupled and treated by two differently parametrized Hamiltonians/basis sets. The three-diagonalization-step composite procedure can routinely compute broad range electronic spectra (0-8 eV) within minutes of computation time for systems composed of 500-1000 atoms with an accuracy typical of standard time-dependent density functional theory (0.3-0.5 eV average error). An easily extendable parametrization based on coupled-cluster and density functional computed reference data for the elements H–Zn including transition metals is described. The accuracy of the method termed sTDA-xTB is first benchmarked for vertical excitation energies of open- and closed-shell systems in comparison to other semi-empirical methods and applied to exemplary problems in electronic spectroscopy. As side products of the development, a robust and efficient valence electron TB method for the accurate determination of atomic charges as well as a more accurate calculation scheme of dipole rotatory strengths within the Tamm-Dancoff approximation is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cislunar Trajectory Design and Maneuver Autonomy for NASA's Moon to Mars Architecture

NASA’s Moon to Mars architecture is an ambitious roadmap of manned cislunar and deep space exploration. The extensive amount of orbital assets required will place a significant burden on ground-based resources, such as communication networks and operations facilities. Spacecraft autonomy is essential for maintaining a vast number of complex missions beyond Earth orbit. To achieve full autonomy, spacecraft must be able to employ methods of robust maneuver design without an explicit dependence on commands sent from the ground. This level of autonomy is needed not only for stationkeeping, but also for outbound transfers. To address the need of spacecraft maneuver design autonomy, this work investigates the use of neural networks (NNs) in a supervised learning environment. A supervised learning approach for NNs allows for a curated training data set, consisting exclusively of perturbations applied to a desired mission concept of operations (ConOps). The proposed approach allows humans on the ground to design a specific mission ConOps before flight, then employ NNs to fly the mission robustly and autonomously. This investigation numerically tests maneuver autonomy in four highly sensitive regions of flight: orbit raising, translunar injection burns, powered lunar flybys, and invariant manifold insertion burns. These straining cases are contextualized by testing them in a demonstration mission, targeting an Earth-Moon L3 orbit. The study first establishes feasibility by automating impulsive burn maneuvers. However, some guidance algorithms will need more intensive commands, such as inertial pointing and angular rates. To validate this method, NN maneuver autonomy is applied to a finite burn model of the demonstration mission. The use of sequential, mission specific maneuvers provide an appropriate testbed to demonstrate the robustness of a NN trained on feasible perturbed states. Moreover, these scenarios provide preliminary proof-of-concept for fully autonomous missions that execute maneuvers without dependence upon explicit command uplinks. As a result, the technological advancement proposed in this work may significantly ease the strain on ground-based mission operations. This would enable complex and autonomous mission execution in cislunar and deep space regimes, filling a technology gap required to support future manned missions.

NASA↗

A Novel Protection Scheme for Unbalanced Faults in Inverter Dominated Networks: A Computationally Efficient Algorithm for Entry-Level Relays

Microgrids are now a common practice in distribution systems to increase resilience and reliability. However, microgrid protection remains a critical challenge, considering its requirement to operate in both grid connected and islanded, and the variability in fault characteristics under each mode of operation. This paper presents unbalanced power (S unb ) based fault detection algorithm, which considers local voltage and current unbalances to determine faults in the system. S unb is a computationally efficient fault detection algorithm that is suitable for implementation in the programmable logic of entry level protective relays. In addition, the difference in current and voltage unbalance (D n ) is used to determine the fault type. The proposed method demonstrates high sensitivity and selectivity for line-to-ground (LG), line-to-line (LL), and double line-to-ground (LLG) faults, representing the most common faults in distribution systems. It also allows relay coordination with upstream and downstream protection devices in both island and grid connected operation, while preserving grading margins. The same pickup and time multiplier settings of a particular relay for both modes of operation eliminates the need for adaptive settings, which rely on communication networks. Validation was performed with a hardware-in-the-loop (HIL) setup using Typhoon HIL real time simulator interfaced with three entry-level, SEL 751 relays. Results confirmed the algorithm’s ability to discriminate fault conditions, and determine the fault type under both operating modes, maintain fast detection times, and ensure proper protection coordination.

fault classification↗

Rovibrationally resolved Rayleigh and Raman scattering cross sections for molecular hydrogen

Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum. A representative set of cross sections is presented for incident photon energies below 15 eV and compared with existing results in the literature where possible. Convergence of our results with an increasing number of bound intermediate electronic states is demonstrated. The accuracy of the Placzek–Teller approximation is discussed. The effect of accounting for the intermediate ionization continuum is investigated. Local thermal equilibrium cross sections are calculated for Rayleigh and Raman scattering. This work represents the most accurate and complete treatment of Raman scattering for molecular hydrogen to date. A total of 9582 Rayleigh and Raman scattering cross sections have been generated and are openly available on Zenodo under an open-source Creative Commons Attribution license at https://zenodo.org/doi/10.5281/zenodo.13441471.

74 ATOMIC AND MOLECULAR PHYSICS↗

Simulating stochastic and additively manufactured foams at large strains and high strain rates (Progress Summary)

Understanding the mechanical response of polymer foams is essential in developing system material models and in designing replacements for legacy pads and cushions. Simulations can help elucidate structure-property relationships and compare local stress distributions to understand aging behavior and improve designs. In many applications, these materials experience significant loadings and computations need the capability to reproduce those conditions. We are applying are previously developed material point method (MPM) simulation capability to understand the aging properties of loaded direct ink write resins. Significant particle loading of a stiffer material in siloxane networks exhibit different compression set behavior than unloaded specimens. We are applying our computational mechanics capabilities to understand this difference at the continuum level. Figure 1 highlights preliminary results, depicting renderings of an unloaded DIW filament alongside one containing a 20% volume loading of spherical particles. Also, the stress distribution of a neat filament at 20% compression is shown. We are planning to study this behavior for a range of loading fractions, particle sizes, and material stiffness ratios. We will explore the sensitivity of the stress response to these variables which could inform aging models of these materials.

36 MATERIALS SCIENCE↗

A technique for rapid source apportionment applied to ambient organic aerosol measurements from a thermal desorption aerosol gas chromatograph (TAG)

Here, we present a rapid method for apportioning the sources of atmospheric organic aerosol composition measured by gas chromatography–mass spectrometry methods. Here, we specifically apply this new analysis method to data acquired on a thermal desorption aerosol gas chromatograph (TAG) system. Gas chromatograms are divided by retention time into evenly spaced bins, within which the mass spectra are summed. A previous chromatogram binning method was introduced for the purpose of chromatogram structure deconvolution (e.g., major compound classes) (Zhang et al., 2014). Here we extend the method development for the specific purpose of determining aerosol samples' sources. Chromatogram bins are arranged into an input data matrix for positive matrix factorization (PMF), where the sample number is the row dimension and the mass-spectra-resolved eluting time intervals (bins) are the column dimension. Then two-dimensional PMF can effectively do three-dimensional factorization on the three-dimensional TAG mass spectra data. The retention time shift of the chromatogram is corrected by applying the median values of the different peaks' shifts. Bin width affects chemical resolution but does not affect PMF retrieval of the sources' time variations for low-factor solutions. A bin width smaller than the maximum retention shift among all samples requires retention time shift correction. A six-factor PMF comparison among aerosol mass spectrometry (AMS), TAG binning, and conventional TAG compound integration methods shows that the TAG binning method performs similarly to the integration method. However, the new binning method incorporates the entirety of the data set and requires significantly less pre-processing of the data than conventional single compound identification and integration. In addition, while a fraction of the most oxygenated aerosol does not elute through an underivatized TAG analysis, the TAG binning method does have the ability to achieve molecular level resolution on other bulk aerosol components commonly observed by the AMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurements of lower stratospheric/upper tropospheric water vapor by the SAGE II instrument

Preliminary, unvalidated data are discussed from early measurements of water vapor profiles in the upper troposphere/lower stratosphere by means of SAGE II satellite sensors. Zonal means for April 1985 are discussed and compared with previous, separate data sets for water vapor profiles for the 100 mbar and 300 mbar levels determined from space-based IR and rawinsonde data. Techniques employed to correct for noisy measurements due to the presence of clouds in the SAGE II scenes are described, noting the slant path transmission methods applied to generate the water vapor profiles.

Larsen, J. C.↗

Monitoring of International Space Station Telemetry Using Shewhart Control Charts

Shewhart control charts have been established as an expedient method for analyzing dynamic, trending data in order to identify anomalous subsystem performance as soon as such performance would exceed a statistically established baseline. Additionally, this leading indicator tool integrates a selection methodology that reduces false positive indications, optimizes true leading indicator events, minimizes computer processor unit duty cycles, and addresses human factor concerns (i.e., the potential for flight-controller data overload). This innovation leverages statistical process control, and provides a relatively simple way to allow flight controllers to focus their attention on subtle system changes that could lead to dramatic off-nominal system performance. Finally, this capability improves response time to potential hardware damage and/or crew injury, thereby improving space flight safety. Shewhart control charts require normalized data. However, the telemetry from the ISS Early External Thermal Control System (EETCS) was not normally distributed. A method for normalizing the data was implemented, as was a means of selecting data windows, the number of standard deviations (Sigma Level), the number of consecutive points out of limits (Sequence), and direction (increasing or decreasing trend data). By varying these options, and treating them like dial settings, the number of nuisance alerts and leading indicators were optimized. The goal was to capture all leading indicators while minimizing the number of nuisances. Lean Six Sigma (L6S) design of experiment methodologies were employed. To optimize the results, Perl programming language was used to automate the massive amounts of telemetry data, control chart plots, and the data analysis.

Fitch, Jeffery T.↗

Automated Testcase Generation for Numerical Support Functions in Embedded Systems

We present a tool for the automatic generation of test stimuli for small numerical support functions, e.g., code for trigonometric functions, quaternions, filters, or table lookup. Our tool is based on KLEE to produce a set of test stimuli for full path coverage. We use a method of iterative deepening over abstractions to deal with floating-point values. During actual testing the stimuli exercise the code against a reference implementation. We illustrate our approach with results of experiments with low-level trigonometric functions, interpolation routines, and mathematical support functions from an open source UAS autopilot.

Metrics↗