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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Canonical symplectic structure and structure-preserving geometric algorithms for Schrödinger–Maxwell systems

An infinite dimensional canonical symplectic structure and structure-preserving geometric algorithms are developed for the photon–matter interactions described by the Schrödinger–Maxwell equations. The algorithms preserve the symplectic structure of the system and the unitary nature of the wavefunctions, and bound the energy error of the simulation for all time-steps. This new numerical capability enables us to carry out first-principle based simulation study of important photon–matter interactions, such as the high harmonic generation and stabilization of ionization, with long-term accuracy and fidelity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2004

Integrated Modeling Activities for the James Webb Space Telescope: Structural-Thermal-Optical Analysis

The James Web Space Telescope (JWST) is a large, infrared-optimized space telescope scheduled for launch in 2011. This is a continuation of a series of papers on modeling activities for JWST. The structural-thermal-optical, often referred to as STOP, analysis process is used to predict the effect of thermal distortion on optical performance. The benchmark STOP analysis for JWST assesses the effect of an observatory slew on wavefront error. Temperatures predicted using geometric and thermal math models are mapped to a structural finite element model in order to predict thermally induced deformations. Motions and deformations at optical surfaces are then input to optical models, and optical performance is predicted using either an optical ray trace or a linear optical analysis tool. In addition to baseline performance predictions, a process for performing sensitivity studies to assess modeling uncertainties is described.

Johnston, John D.↗
DOE OSTI2021

The Completed SDSS-IV Extended Baryon Oscillation Spectroscopic Survey: N-body Mock Challenge for Galaxy Clustering Measurements

We develop a series of N-body data challenges, functional to the final analysis of the extended Baryon Oscillation Spectroscopic Survey (eBOSS) Data Release 16 (DR16) galaxy sample. The challenges are primarily based on high-fidelity catalogues constructed from the Outer Rim simulation - a large box size realization (3h(-1) Gpc) characterized by an unprecedented combination of volume and mass resolution, down to 1.85 x 10(9) h(-1)M(circle dot). We generate synthetic galaxy mocks by populating Outer Rim haloes with a variety of halo occupation distribution (HOD) schemes of increasing complexity, spanning different redshift intervals. We then assess the performance of three complementary redshift space distortion (RSD) models in configuration and Fourier space, adopted for the analysis of the complete DR16 eBOSS sample of Luminous Red Galaxies (LRG5). We find all the methods mutually consistent, with comparable systematic errors on the Alcock-Paczynski parameters and the growth of structure, and robust to different HOD prescriptions - thus validating the robustness of the models and the pipelines used for the baryon acoustic oscillation (BAO) and full shape clustering analysis. In particular, all the techniques are able to recover and alpha(11) to within 0.9 per cent, and f sigma(8) to within 1.5 per cent. As a by-product of our work, we are also able to gain interesting insights on the galaxy-halo connection. Our study is relevant for the final eBOSS DR16 'consensus cosmology', as the systematic error budget is informed by testing the results of analyses against these high-resolution mocks. In addition, it is also useful for future large-volume surveys, since similar mock-making techniques and systematic corrections can be readily extended to model for instance the Dark Energy Spectroscopic Instrument (DESI) galaxy sample.

cosmology: theory, large-scale structure of Univer↗
NASA NTRS1996

A revolute joint with linear load-displacement response for a deployable lidar telescope

NASA Langley Research Center is developing concepts for an advanced spacecraft, called LidarTechSat, to demonstrate key structures and mechanisms technologies necessary to deploy a segmented telescope reflector. Achieving micron-accuracy deployment requires significant advancements in deployment mechanism design, such as the revolute joint presented herein. The joint exhibits load-cycling response that is essentially linear with less than 2% hysteresis, and the joint rotates with less than 7 mN-m (1 in-oz) of resistance. A prototype reflector metering truss incorporating the joint exhibits only a few microns of kinematic error under repected deployment and impulse loading. No other mechanically deployment structure found in the literature has been demonstrated to be this kinematically accurate.

Lake, Mark S.↗
DOE OSTI2016

Interfacial Atomic Structure of Twisted Few-Layer Graphene

A twist in bi- or few-layer graphene breaks the local symmetry, introducing a number of intriguing physical properties such as opening new bandgaps. Therefore, determining the twisted atomic structure is critical to understanding and controlling the functional properties of graphene. Combining low-angle annular dark-field electron microscopy with image simulations, we directly determine the atomic structure of twisted few-layer graphene in terms of a moiré superstructure which is parameterized by a single twist angle and lattice constant. This method is shown to be a powerful tool for accurately determining the atomic structure of two-dimensional materials such as graphene, even in the presence of experimental errors. Using coincidence-site-lattice and displacement-shift-complete theories, we show that the in-plane translation state between layers is not a significant structure parameter, explaining why the present method is adequate not only for bilayer graphene but also a few-layered twisted graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Signal-Compensation-Based Adaptive PID Control for Fused Magnesia Smelting Processes

For fused magnesia smelting processes, the proportional-integral-derivative (PID) controller is difficult to regulate the smelting currents within desired ranges due to unexpected variations of the dynamics caused by material feeding operations. To solve this problem, we first proposed its dynamic model composed of a linear model and an uncertain nonlinear dynamic system that describes the unknown time-varying dynamics of nonlinearity and strong couplings among controlled variables. Then, using the accurately calculated value of the uncertain part at the previous sampling time instant and the tracking error that reflects the influence of its change rate, we developed a feedforward and a one-step optimal control to obtain two signal compensators to eliminate the impact of frequent variations of the uncertainties. For the compensators, we proposed a weight selection method to minimize the sum of the squared tracking error with ensured closed-loop stability. Based on the abovementioned modeling and control structure, we finally developed a novel adaptive PID controller augmented with signal compensators to control the whole process. Industrial applications have shown that the proposed method can always keep the tracking error and the control input within their targeted ranges, leading to a significantly reduced energy consumption per ton and increased fused magnesia production.

Wang, Weizhou↗
NASA NTRS2002

A geostatistical analysis of small-scale spatial variability in bacterial abundance and community structure in salt marsh creek bank sediments

Small-scale variations in bacterial abundance and community structure were examined in salt marsh sediments from Virginia's eastern shore. Samples were collected at 5 cm intervals (horizontally) along a 50 cm elevation gradient, over a 215 cm horizontal transect. For each sample, bacterial abundance was determined using acridine orange direct counts and community structure was analyzed using randomly amplified polymorphic DNA fingerprinting of whole-community DNA extracts. A geostatistical analysis was used to determine the degree of spatial autocorrelation among the samples, for each variable and each direction (horizontal and vertical). The proportion of variance in bacterial abundance that could be accounted for by the spatial model was quite high (vertical: 60%, horizontal: 73%); significant autocorrelation was found among samples separated by 25 cm in the vertical direction and up to 115 cm horizontally. In contrast, most of the variability in community structure was not accounted for by simply considering the spatial separation of samples (vertical: 11%, horizontal: 22%), and must reflect variability from other parameters (e.g., variation at other spatial scales, experimental error, or environmental heterogeneity). Microbial community patch size based upon overall similarity in community structure varied between 17 cm (vertical) and 35 cm (horizontal). Overall, variability due to horizontal position (distance from the creek bank) was much smaller than that due to vertical position (elevation) for both community properties assayed. This suggests that processes more correlated with elevation (e.g., drainage and redox potential) vary at a smaller scale (therefore producing smaller patch sizes) than processes controlled by distance from the creek bank. c2002 Federation of European Microbiological Societies. Published by Elsevier Science B.V. All rights reserved.

Non-NASA Center↗
DOE OSTI2016

Comparison of weak lensing by NFW and Einasto halos and systematic errors

Recent N-body simulations have shown that Einasto radial profiles provide the most accurate description of dark matter halos. Predictions based on the traditional NFW functional form may fail to describe the structural properties of cosmic objects at the percent level required by precision cosmology. We computed the systematic errors expected for weak lensing analyses of clusters of galaxies if one wrongly models the lens density profile. Even though the NFW fits of observed tangential shear profiles can be excellent, viral masses and concentrations of very massive halos (∼> 10{sup 15}M{sub ⊙}/h) can be over- and underestimated by 0∼ 1 per cent, respectively. Misfitting effects also steepen the observed mass-concentration relation, as observed in multi-wavelength observations of galaxy groups and clusters. Based on shear analyses, Einasto and NFW halos can be set apart either with deep observations of exceptionally massive structures (∼> 2×10{sup 15}M{sub ⊙}/h) or by stacking the shear profiles of thousands of group-sized lenses (∼> 10{sup 14}M{sub ⊙}/h)

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Quality control of mislocalized and orphan proteins

A healthy and functional proteome is essential to cell physiology. However, this is constantly being challenged as most steps of protein metabolism are error-prone and changes in the physico-chemical environment can affect protein structure and function, thereby disrupting proteome homeostasis. Among a variety of potential mistakes, proteins can be targeted to incorrect compartments or subunits of protein complexes may fail to assemble properly with their partners, resulting in the formation of mislocalized and orphan proteins, respectively. Quality control systems are in place to handle these aberrant proteins, and to minimize their detrimental impact on cellular functions. Here, we discuss recent findings on quality control mechanisms handling mislocalized and orphan proteins. We highlight common principles involved in their recognition and summarize how accumulation of these aberrant molecules is associated with aging and disease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Novel Non‐Destructive Rapid Tool for Estimating Amino Acid Composition and Secondary Structures of Proteins in Solution

Abstract Amino‐acid protein composition plays an important role in biology, medicine, and nutrition. Here, a groundbreaking protein analysis technique that quickly estimates amino acid composition and secondary structure across various protein sizes, while maintaining their natural states is introduced and validated. This method combines multivariate statistics and the thermostable Raman interaction profiling (TRIP) technique, eliminating the need for complex preparations. In order to validate the approach, the Raman spectra are constructed of seven proteins of varying sizes by utilizing their amino acid frequencies and the Raman spectra of individual amino acids. These constructed spectra exhibit a close resemblance to the actual measured Raman spectra. Specific vibrational modes tied to free amino and carboxyl termini of the amino acids disappear as signals linked to secondary structures emerged under TRIP conditions. Furthermore, the technique is used inversely to successfully estimate amino acid compositions and secondary structures of unknown proteins across a range of sizes, achieving impressive accuracy ranging between 1.47% and 5.77% of root mean square errors (RMSE). These results extend the uses for TRIP beyond interaction profiling, to probe amino acid composition and structure.

Chemistry↗
NASA NTRS1996

A Revolute Joint With Linear Load-Displacement Response for Precision Deployable Structures

NASA Langley Research center is developing key structures and mechanisms technologies for micron-accuracy, in-space deployment of future space instruments. Achieving micron-accuracy deployment requires significant advancements in deployment mechanism design such as the revolute joint presented herein. The joint presented herein exhibits a load-cycling response that is essentially linear with less than two percent hysteresis, and the joint rotates with less than one in.-oz. of resistance. A prototype reflector metering truss incorporating the joint exhibits only a few microns of kinematic error under repeated deployment and impulse loading. No other mechanically deployable structure found in literature has been demonstrated to be this kinematically accurate.

Lake, Mark S.↗
DOE OSTI2021

AtomSets as a hierarchical transfer learning framework for small and large materials datasets

Abstract Predicting properties from a material’s composition or structure is of great interest for materials design. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when dealing with large materials data. However, deep learning models suffer in the small data regime that is common in materials science. Here we develop the AtomSets framework, which utilizes universal compositional and structural descriptors extracted from pre-trained graph network deep learning models with standard multi-layer perceptrons to achieve consistently high model accuracy for both small compositional data (<400) and large structural data (>130,000). The AtomSets models show lower errors than the graph network models at small data limits and other non-deep-learning models at large data limits. They also transfer better in a simulated materials discovery process where the targeted materials have property values out of the training data limits. The models require minimal domain knowledge inputs and are free from feature engineering. The presented AtomSets model framework can potentially accelerate machine learning-assisted materials design and discovery with less data restriction.

Chen, Chi (ORCID:0000000180087043)↗
DOE OSTI2022

Group structure selection with random forests

Choosing an appropriate group structure for multigroup transport is far from an exact science. For some applications, one blindly uses a group structure developed years ago by forgotten methods. Furthermore, one sometimes uses the same group structure for a variety of problems, even if the group structure was originally developed with a certain application in mind. In this work, we create optimized group structures with simulated annealing for critical assembly test problems and apply a random forest regressor with bagging to choose the best group structure based on parameters of the different test problems. The optimized group structures were generated using a simulated annealing optimizer for several simple, spherical, and unreflected problems. The optimization was performed to minimize a cost function that included fission rate, absorption rate, leakage, and k{sub eff}. A random forest regressor was then trained on a set of International Criticality Safety Benchmark Evaluation Project inputs and used to select one of these six group structures. The trained machine learning model chose the best group structure 65% of the time, and one of the three best 89% of the time. Furthermore, it decreased the L2 error over all test problems by a factor of 25 when compared to the standard Los Alamos 70-group structure. In other words, the model chose group structure that were far more appropriate for the test problems than the traditional LANL group structure. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Experimental discovery of structure–property relationships in ferroelectric materials via active learning

Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of these functionalities have been discovered and quantified via local scanning probe microscopy methods. However, the search has until now been based on either trial and error, or using auxiliary information such as the topography or domain wall structure to identify potential objects of interest on the basis of the intuition of operator or pre-existing hypotheses, with subsequent manual exploration. Here we report the development and implementation of a machine learning framework that actively discovers relationships between local domain structure and polarization-switching characteristics in ferroelectric materials encoded in the hysteresis loop. The hysteresis loops and their scalar descriptors such as nucleation bias, coercive bias and the hysteresis loop area (or more complex functionals of hysteresis loop shape) and corresponding uncertainties are used to guide the discovery of these relationships via automated piezoresponse force microscopy and spectroscopy experiments. As such, this approach combines the power of machine learning methods to learn the correlative relationships between high-dimensional data, as well as human-based physics insights encoded into the acquisition function. For ferroelectric materials, this automated workflow demonstrates that the discovery path and sampling points of on- and off-field hysteresis loops are largely different, indicating that on- and off-field hysteresis loops are dominated by different mechanisms. Here, the proposed approach is universal and can be applied to a broad range of modern imaging and spectroscopy methods ranging from other scanning probe microscopy modalities to electron microscopy and chemical imaging.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Structural damage assessment as an identification problem

Damage assessment of structural assemblies is treated as an identification problem. A brief review of identification methods is first presented with particular focus on the output error approach. The use of numerical optimization methods in identifying the location and extent of damage in structures is studied. The influence of damage on eigenmode shapes and static displacements is explored as a means of formulating a measure of damage in the structure. Preliminary results obtained in this study are presented and special attention is directed at the shortcomings associated with the nonlinear programming approach to solving the optimization problem.

Hajela, Prabhat↗
NASA NTRS2007

Build-Up Approach to Updating the Mock Quiet Spike Beam Model

When a new aircraft is designed or a modification is done to an existing aircraft, the aeroelastic properties of the aircraft should be examined to ensure the aircraft is flight worthy. Evaluating the aeroelastic properties of a new or modified aircraft can include performing a variety of analyses, such as modal and flutter analyses. In order to produce accurate results from these analyses, it is imperative to work with finite element models (FEM) that have been validated by or correlated to ground vibration test (GVT) data, Updating an analytical model using measured data is a challenge in the area of structural dynamics. The analytical model update process encompasses a series of optimizations that match analytical frequencies and mode shapes to the measured modal characteristics of structure. In the past, the method used to update a model to test data was "trial and error." This is an inefficient method - running a modal analysis, comparing the analytical results to the GVT data, manually modifying one or more structural parameters (mass, CG, inertia, area, etc.), rerunning the analysis, and comparing the new analytical modal characteristics to the GVT modal data. If the match is close enough (close enough defined by analyst's updating requirements), then the updating process is completed. If the match does not meet updating-requirements, then the parameters are changed again and the process is repeated. Clearly, this manual optimization process is highly inefficient for large FEM's and/or a large number of structural parameters. NASA Dryden Flight Research Center (DFRC) has developed, in-house, a Mode Matching Code that automates the above-mentioned optimization process, DFRC's in-house Mode Matching Code reads mode shapes and frequencies acquired from GVT to create the target model. It also reads the current analytical model, as we11 as the design variables and their upper and lower limits. It performs a modal analysis on this model and modifies it to create an updated model that has similar mode shapes and frequencies as those of the target model. The Mode Matching Code output frequencies and modal assurance criteria (MAC) values that allow for the quantified comparison of the updated model versus the target model. A recent application of this code is the F453 supersonic flight testing platform, NASA DFRC possesses a modified F-15B that is used as a test bed aircraft for supersonic flight experiments. Traditionally, the finite element model of the test article is generated. A GVT is done on the test article ta validate and update its FEM. This FEM is then mated to the F-15B model, which was correlated to GVT data in fall of 2004, A GVT is conducted with the test article mated to the aircraft, and this mated F-15B/ test article FEM is correlated to this final GVT.

Herrera, Claudia Y.↗
DOE OSTI2024

Randomized measurement protocols for lattice gauge theories

Randomized measurement protocols, including classical shadows, entanglement tomography, and randomized benchmarking are powerful techniques to estimate observables, perform state tomography, or extract the entanglement properties of quantum states. While unraveling the intricate structure of quantum states is generally difficult and resource-intensive, quantum systems in nature are often tightly constrained by symmetries. Furthermore, this can be leveraged by the symmetry-conscious randomized measurement schemes we propose, yielding clear advantages over symmetry-blind randomization such as reducing measurement costs, enabling symmetry-based error mitigation in experiments, allowing differentiated measurement of (lattice) gauge theory entanglement structure, and, potentially, the verification of topologically ordered states in existing and near-term experiments. Crucially, unlike symmetry-blind randomized measurement protocols, these latter tasks can be performed without relearning symmetries via full reconstruction of the density matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

An end-to-end pointing budget approach to planetary observing systems with application to EOS

Previously published error budgets have focused on spacecraft error sources for pointing error and have tended to include only spacecraft pointing rather than the ultimate geolocation of each pixel of dam onto a well-defined spot on the surface of the Earth. A systematic approach to geolocation error budgeting, including all contributors in the geolocation process is presented. Its structure allows simultaneous expression of the needs of instrument teams as well as spacecraft design teams. It allows explicit acknowledgement of approximations made for on-board control as well as the ultimate geolocation accuracy achievable after ground processing and exploits the commonality inherent in the on-board and post-processing error budgets. It also includes the uncontrolled and unmeasured spacecraft jitter. This approach can be used to investigate the mission-wide benefit of a variety of design choices, (such as on-board sensing and ground correction of measurements contrasted with on-board correction of measurements). Additionally, in light of increasing accuracy requirements as sensor resolution improves, numerous non-spacecraft contributors to geolocation error are quantified.

Throckmorton, A.↗