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At least 631 records · Page 35

Analysis of the DFP/AFCS Systems for Compensating Gravity Distortions on the 70-Meter Antenna

This paper presents the theoretical computations showing the expected performances for both systems. The basic analysis tool is a Physical Optics reflector analysis code that was ported to a parallel computer for faster execution times. There are several steps involved in computing the RF performance of the various systems. 1 . A model of the RF distortions of the main reflector is required. This model is based upon measured holography maps of the 70-meter antenna obtained at 3 elevation angles. The holography maps are then processed (using an appropriate gravity mechanical model of the dish) to provide surface distortion maps at all elevation angles. 2. From the surface distortion maps, ray optics is used to determine the theoretical shape of the DFP that will exactly phase compensate the distortions. 3. From the theoretical shape and a NASTRAN mechanical model of the plate, the actuator positions that generate a surface that provides the best RMS fit to the theoretical model are selected. Using the actuator positions and the NASTRAN model provides an accurate description of the actual mirror shape. 4. Starting from the mechanical drawings of the feed, a computed RF feed pattern is generated. This pattern is expanded into a set of spherical wave modes so that a complete near field analysis of the reflector system can be obtained. 5. For the array feed, the excitation coefficients that provide the maximum gain are computed using a phase conjugate technique. The basic experimental geometry consisted of a dual shaped 70-meter antenna system; a refocusing ellipse, a DFP and an array feed system. To provide physical insight to the systems performance, focal plane field plots are presented at several elevations. Curves of predicted performance are shown for the DFP system, monopulse tracking system, AFCS and combined DFP/AFCS system. The calculated results show that the combined DFP/AFCS system is capable of recovering the majority of the gain lost due to gravity distortion.

Imbriale, William A.↗

Performance Measurement, Visualization and Modeling of Parallel and Distributed Programs

This paper presents a methodology for debugging the performance of message-passing programs on both tightly coupled and loosely coupled distributed-memory machines. The AIMS (Automated Instrumentation and Monitoring System) toolkit, a suite of software tools for measurement and analysis of performance, is introduced and its application illustrated using several benchmark programs drawn from the field of computational fluid dynamics. AIMS includes (i) Xinstrument, a powerful source-code instrumentor, which supports both Fortran77 and C as well as a number of different message-passing libraries including Intel's NX Thinking Machines' CMMD, and PVM; (ii) Monitor, a library of timestamping and trace -collection routines that run on supercomputers (such as Intel's iPSC/860, Delta, and Paragon and Thinking Machines' CM5) as well as on networks of workstations (including Convex Cluster and SparcStations connected by a LAN); (iii) Visualization Kernel, a trace-animation facility that supports source-code clickback, simultaneous visualization of computation and communication patterns, as well as analysis of data movements; (iv) Statistics Kernel, an advanced profiling facility, that associates a variety of performance data with various syntactic components of a parallel program; (v) Index Kernel, a diagnostic tool that helps pinpoint performance bottlenecks through the use of abstract indices; (vi) Modeling Kernel, a facility for automated modeling of message-passing programs that supports both simulation -based and analytical approaches to performance prediction and scalability analysis; (vii) Intrusion Compensator, a utility for recovering true performance from observed performance by removing the overheads of monitoring and their effects on the communication pattern of the program; and (viii) Compatibility Tools, that convert AIMS-generated traces into formats used by other performance-visualization tools, such as ParaGraph, Pablo, and certain AVS/Explorer modules.

Yan, Jerry C.↗

Terrestrial Planet Finder Coronagraph Observatory summary

Creating an optical space telescope observatory capable of detecting and characterizing light from extra-solar terrestrial planets poses technical challenges related to extreme wavefront stability. The Terrestrial Planet Finder Coronagraph design team has been developing an observatory based on trade studies, modeling and analysis that has guided us towards design choices to enable this challenging mission. This paper will describe the current flight baseline design of the observatory and the trade studies that have been performed. The modeling and analysis of this design will be described including predicted performance and the tasks yet to be done.

space↗

Validation of Universal Cryogenic Flow Boiling Correlations in Thermal Desktop for Liquid Hydrogen

Developing accurate models of two-phase cryogenic flow will reduce risk and reduce margins for future NASA vehicles such as the Nuclear Thermal Propulsion (NTP) system. Currently there is a need for more accurate, direct cryogenic data-anchored models for various boiling and two-phase phenomena. The focus of the current work is on modeling steady state cryogenic flow boiling in the transfer line that connects a propellant storage tank to an engine or customer receiver tank. This paper presents Thermal Desktop model validation results against several historical liquid hydrogen (LH2) heated tube experiments that cover a wide range of inlet conditions, mass flux, and heat flux. New universal cryogenic flow boiling correlations were recently developed and anchored to the largest cryogenic flow boiling database assembled in the world to-date. The new universal correlations are patched together and implemented into Thermal Desktop to compare model performance against the built-in flow boiling correlations. Axial wall temperature predictions as a function of preponderant parameters like heat flux, mass flux, inlet pressure, inlet quality, tube diameter, etc. using the two sets of flow boiling correlations are compared against the experimental data. Overall, the Thermal Desktop model with the new universal cryogenic flow boiling correlations demonstrates an improvement in predictive performance over the Thermal Desktop model using built-in correlations for both wall temperature and location of critical heat flux compared to the data for LH2 flow boiling in heated tubes.

Cryogenic Propellant Transfer↗

Validation of Universal Cryogenic Flow Boiling Correlations in Thermal Desktop for Liquid Hydrogen

Developing accurate models of two-phase cryogenic flow will reduce risk and reduce margins for future NASA vehicles such as the Nuclear Thermal Propulsion (NTP) system. Currently there is a need for more accurate, direct cryogenic data-anchored models for various boiling and two-phase phenomena. The focus of the current work is on modeling steady state cryogenic flow boiling in the transfer line that connects a propellant storage tank to an engine or customer receiver tank. This paper presents Thermal Desktop model validation results against several historical liquid hydrogen (LH2) heated tube experiments that cover a wide range of inlet conditions, mass flux, and heat flux. New universal cryogenic flow boiling correlations were recently developed and anchored to the largest cryogenic flow boiling database assembled in the world to-date. The new universal correlations are patched together and implemented into Thermal Desktop to compare model performance against the built-in flow boiling correlations. Axial wall temperature predictions as a function of preponderant parameters like heat flux, mass flux, inlet pressure, inlet quality, tube diameter, etc. using the two sets of flow boiling correlations are compared against the experimental data. Overall, the Thermal Desktop model with the new universal cryogenic flow boiling correlations demonstrates an improvement in predictive performance over the Thermal Desktop model using built-in correlations for both wall temperature and location of critical heat flux compared to the data for LH2 flow boiling in heated tubes.

cryogenic propellant transfer↗

Electrochemical carbon dioxide concentrator: Math model

A steady state computer simulation model of an Electrochemical Depolarized Carbon Dioxide Concentrator (EDC) has been developed. The mathematical model combines EDC heat and mass balance equations with empirical correlations derived from experimental data to describe EDC performance as a function of the operating parameters involved. The model is capable of accurately predicting performance over EDC operating ranges. Model simulation results agree with the experimental data obtained over the prediction range.

Marshall, R. D.↗

Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design

Conspectus The variability of chemical bonding in open-shell transition-metal complexes not only motivates their study as functional materials and catalysts but also challenges conventional computational modeling tools. Here, tailoring ligand chemistry can alter preferred spin or oxidation states as well as electronic structure properties and reactivity, creating vast regions of chemical space to explore when designing new materials atom by atom. Although first-principles density functional theory (DFT) remains the workhorse of computational chemistry in mechanism deduction and property prediction, it is of limited use here. DFT is both far too computationally costly for widespread exploration of transition-metal chemical space and also prone to inaccuracies that limit its predictive performance for localized d electrons in transition-metal complexes. These challenges starkly contrast with the well-trodden regions of small-organic-molecule chemical space, where the analytical forms of molecular mechanics force fields and semiempirical theories have for decades accelerated the discovery of new molecules, accurate DFT functional performance has been demonstrated, and gold-standard methods from correlated wavefunction theory can predict experimental results to chemical accuracy. The combined promise of transition-metal chemical space exploration and lack of established tools has mandated a distinct approach. In this Account, we outline the path we charted in exploration of transition-metal chemical space starting from the first machine learning (ML) models (i.e., artificial neural network and kernel ridge regression) and representations for the prediction of open-shell transition-metal complex properties. The distinct importance of the immediate coordination environment of the metal center as well as the lack of low-level methods to accurately predict structural properties in this coordination environment first motivated and then benefited from these ML models and representations. Once developed, the recipe for prediction of geometric, spin state, and redox potential properties was straightforwardly extended to a diverse range of other properties, including in catalysis, computational “feasibility”, and the gas separation properties of periodic metal–organic frameworks. Interpretation of selected features most important for model prediction revealed new ways to encapsulate design rules and confirmed that models were robustly mapping essential structure–property relationships. Encountering the special challenge of ensuring that good model performance could generalize to new discovery targets motivated investigation of how to best carry out model uncertainty quantification. Distance-based approaches, whether in model latent space or in carefully engineered feature space, provided intuitive measures of the domain of applicability. With all of these pieces together, ML can be harnessed as an engine to tackle the large-scale exploration of transition-metal chemical space needed to satisfy multiple objectives using efficient global optimization methods. In practical terms, bringing these artificial intelligence tools to bear on the problems of transition-metal chemical space exploration has resulted in ML-model assessments of large, multimillion compound spaces in minutes and validated new design leads in weeks instead of decades.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A model for prediction of STOVL ejector dynamics

A semi-empirical control-volume approach to ejector modeling for transient performance prediction is presented. This new approach is motivated by the need for a predictive real-time ejector sub-system simulation for Short Take-Off Verticle Landing (STOVL) integrated flight and propulsion controls design applications. Emphasis is placed on discussion of the approximate characterization of the mixing process central to thrust augmenting ejector operation. The proposed ejector model suggests transient flow predictions are possible with a model based on steady-flow data. A practical test case is presented to illustrate model calibration.

Drummond, Colin K.↗

Euler Calculations at Off-Design Conditions for an Inlet of Inward Turning RBCC-SSTO Vehicle

The inviscid performance of an inward turning inlet design is calculated computationally for the first time. Hypersonic vehicle designs based on the inward turning inlets have been shown analytically to have increased effective specific impulse and lower heat load than comparably designed vehicles with two-dimensional inlets. The inward turning inlets are designed inversely from inviscid stream surfaces of known flow fields. The computational study is performed on a Mach 12 inlet design to validate the performance predicted by the design code (HAVDAC) and calculate its off-design Mach number performance. The three-dimensional Euler equations are solved for Mach 4, 8, and 12 using a software package called SAM, which consists of an unstructured mesh generator (SAMmesh), a three-dimensional unstructured mesh flow solver (SAMcfd), and a CAD-based software (SAMcad). The computed momentum averaged inlet throat pressure is within 6% of the design inlet throat pressure. The mass-flux at the inlet throat is also within 7 % of the value predicted by the design code thereby validating the accuracy of the design code. The off-design Mach number results show that flow spillage is minimal, and the variation in the mass capture ratio with Mach number is comparable to an ideal 2-D inlet. The results from the inviscid flow calculations of a Mach 12 inward turning inlet indicate that the inlet design has very good on and off-design performance which makes it a promising design candidate for future air-breathing hypersonic vehicles.

Takashima, N.↗

Impact of anisotropy on TRISO fuel performance

Manufacturing of tristructural isotropic (TRISO) particles involves the deposition of pyrolytic carbon (PyC) and silicon carbide (SiC) layers using the fluidized bed chemical vapor deposition (CVD) process. The CVD process is known to generate polycrystalline layers with crystallographic textures, which imparts anisotropic thermophysical properties to the layers. Past studies have shown the risk for particle failure increases with an increase in anisotropy. The limit beyond which the anisotropy of PyC layers becomes unacceptable due to failure risk has been identified as a high-priority knowledge gap. This work presents a first systematic study on the effects of anisotropic thermal and mechanical properties on TRISO fuel performance. This computational study, performed using the fuel performance code BISON, investigates how the anisotropy in elasticity and thermal properties affect the stresses, temperature, and failure of a TRISO particle. The influence of other factors, such as operating temperature and particle geometry on the anisotropy effects, also has been analyzed. The studies utilize the recently published anisotropic elasticity and thermal behavior models for TRISO PyC and SiC layers implemented using tensors with full anisotropic capability. The spherical TRISO particles with anisotropic properties were found to have greater maximum tensile stress and significantly higher failure probability than the spherical particles with isotropic properties. In conclusion, the fuel performance predicted using these recently developed models was found to be comparable with the performance obtained using the historical models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cracking the code of multi-layer films to promote circularity in single-use plastic packaging

Multi-layer film packaging (MLF) revolutionized food preservation by combining diverse material layers to optimize barrier properties, mechanical strength, and shelf-life. These materials are essential for transporting perishables across various climates and allow for access to fresh goods in “food deserts”, but they pose significant recycling challenges due to their structural complexity. This perspective examines key structure-property relationships governing barrier performance and highlights innovations in material design. We explore how machine learning can predict performance metrics and propose recyclable alternatives, integrating data-driven approaches with material science insights. By challenging the status quo of MLF design, we advocate for circularity in food packaging, inspiring innovation at the intersection of sustainability, material science, and artificial intelligence.

36 MATERIALS SCIENCE↗

Evaluating the limitations of Bayesian metabolic control analysis

AbstractBayesian Metabolic Control Analysis (BMCA) has emerged as a promising framework for inferring metabolic control coefficients in data-limited scenarios by integrating Bayesian inference with linlog rate laws. However, its predictive accuracy and limitations remain underexplored. This study systematically evaluates BMCA’s ability to infer elasticity values, flux control coefficients (FCCs), and concentration control coefficients (CCCs) under varying data availability conditions using three synthetic metabolic network models. Our findings highlight the strengths and weaknesses of BMCA, guiding its application in metabolic engineering and emphasizing the need for methodological refinements.Author summaryUnderstanding how enzymes control metabolic pathways is crucial for optimizing biomanufacturing and synthetic biology applications. Bayesian Metabolic Control Analysis (BMCA) is a promising computational method that integrates Bayesian inference with metabolic control analysis to estimate key control parameters, even in cases with limited experimental data. However, the accuracy and limitations of BMCA remain unclear. In this study, we systematically evaluate BMCA using three synthetic metabolic networks to determine how different types of physiological data impact its predictive performance. We find that BMCA requires flux and enzyme concentration data for accurate predictions, while external metabolite concentrations contribute little. Additionally, BMCA fails to predict elasticity values beyond a magnitude of 1.5 and reliably infer allosteric regulation, even when strong regulatory interactions exist. In addition, BMCA does not accurately rank metabolic control points, which may limit its utility in identifying key enzymes in engineered pathways. Our work provides practical insights into when and how BMCA can be applied, guiding future research in metabolic modeling and control analysis.

Shin, Janis (ORCID:0000000216572455)↗

Electrical Energy Storage Data Submission Guidelines

Energy storage technologies are positioned to play a substantial role in power delivery systems. They are being touted as an effective new resource to maintain reliability and allow for increased penetration of renewable energy. However, due to their relative infancy, there is a lack of knowledge on how these resources truly operate over time. Data analysis can help ascertain the operational and performance characteristics of these emerging technologies. Rigorous testing and data analysis are important for all stakeholders to ensure a safe, reliable system that performs predictably on a macro level. Standardizing testing and analysis approaches to verifying the performance of energy storage devices, equipment, and systems when integrating them into the grid will improve the understanding and benefit of energy storage over time from technical and economic vantage points. Demonstrating the life-cycle value and capabilities of energy storage systems begins with the data the provider supplies for analysis. After review of energy storage data received from several providers, it has become clear that some of these data are inconsistent and incomplete, raising the question of their efficacy for robust analysis. This report reviews and proposes general guidelines such as sampling rates and data points that providers must supply for robust data analysis to take place. Consistent guidelines are the basis of the proper protocol and ensuing standards to (a) reduce the time it takes data to reach those who are providing analysis; (b) allow them to better understand the energy storage installations; and (c) enable them to provide high-quality analysis of the installations. This report is intended to serve as a starting point for what data points should be provided when monitoring. As battery technologies continue to advance and the industry expands, this report will be updated to remain current.

25 ENERGY STORAGE↗

Electrical Energy Storage Data Submission Guidelines, Version 2

Energy storage technologies are positioned to play a substantial role in power delivery systems. They have the potential to serve as an effective new resource to maintain reliability and allow for increased penetration of renewable energy. However, because of their relative infancy, there is a lack of knowledge about how these resources truly operate over time. A data analysis can help ascertain the operational and performance characteristics of these emerging technologies. Rigorous testing and a data analysis are important for all stakeholders to ensure a safe, reliable system that performs predictably on a macro level. Standardizing testing and analysis approaches to verify the performance of energy storage devices, equipment, and systems when integrating them into the grid will improve the understanding and benefit of energy storage over time from technical and economic vantage points. Demonstrating the life-cycle value and capabilities of energy storage systems begins with the data that the provider supplies for the analysis. After a review of energy storage data received from several providers, some of these data have clearly shown to be inconsistent and incomplete, raising the question of their efficacy for a robust analysis. This report reviews and proposes general guidelines, such as sampling rates and data points, that providers must supply for a robust data analysis to take place. Consistent guidelines are the basis of a proper protocol and ensuing standards to (1) reduce the time that it takes for data to reach those who are providing the analysis; (2) allow them to better understand the energy storage installations; and (3) enable them to provide a high-quality analysis of the installations. The report is intended to serve as a starting point for what data points should be provided when monitoring. Readers are encouraged to use the guidance in the report to develop specifications for new systems, as well as enhance current efforts to ensure optimal storage performance. As battery technologies continue to advance and the industry expands, the report will be updated to remain current.

25 ENERGY STORAGE↗

Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are identifying hidden geothermal resources in the USA and designing profitable enhanced geothermal systems (EGS). Many non-obvious processes and parameters could characterize geothermal resources and could control the ultimate energy potential of geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize geothermal resources, but this data is sparse and multi-scale. This has hindered attempts to leverage the datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) give promise to overcome these issues. Modern ML methods and tools can (1) analyze large datasets, (2) assimilate model ensembles that include a multitude of inputs and outputs, (3) process sparse datasets, (4) perform transfer learning between sites with different data quality, (5) extract hidden geothermal signatures from field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. In this work, we implement ML-based geothermal exploration and an enhanced geothermal systems (EGS) design tool to achieve the above goals. Our exploration tool is GeoThermalCloud (GTC) EGS design tool is GeoDT-ML. GTC (github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. It enables the identification of critical measurements needed to identify geothermal resource signatures. GeoDT-ML (github.com/SmartTensors/GeoThermalCloud.jl/tree/master/) adds coupling to GeoDT (https://github.com/GeoDesignTool/GeoDT.git) for stochastic EGS design optimization and performance prediction. GeoDT-ML leverages recent advances in deep learning and high-performance computing. Contributors to this effort include LANL, PNNL, Google, Stanford, and Julia Computing.

15 GEOTHERMAL ENERGY↗

The X-SAR System

During the past few years, there has been significant progress made in the planning for an X-band SAR, designed to fly in the shuttle together with the SIR-C system of NASA/JPL. New work and studies have been initiated to enable the goal of two missions in 1990 to be met. The antennas of X-SAR and SIR-C will be placed side-by-side on a pivoted steerable foldable structure, which will allow antenna movement without changing the attitude of the shuttle. This figure also shows the pallet, underneath the antenna structure, which houses the electronic sub-systems of both radars. Although the two radar systems, X-band SAR and the L- and C-band SAR of SIR-C, have different technical designs, their overall system performance, in terms of image quality, is expected to be similar. The current predicted performance of the X-SAR system based on results of the continuing Phase B studies is detailed. Differences between the performance parameters of X-SAR and those of SIR-C are only detailed in as far as they affect planning decisions to be made by experimenters.

Oettl, Herwig↗

Survey and analysis of research on supersonic drag-due-to-lift minimization with recommendations for wing design

A survey of research on drag-due-to-lift minimization at supersonic speeds, including a study of the effectiveness of current design and analysis methods was conducted. The results show that a linearized theory analysis with estimated attainable thrust and vortex force effects can predict with reasonable accuracy the lifting efficiency of flat wings. Significantly better wing performance can be achieved through the use of twist and camber. Although linearized theory methods tend to overestimate the amount of twist and camber required for a given application and provide an overly optimistic performance prediction, these deficiencies can be overcome by implementation of recently developed empirical corrections. Numerous examples of the correlation of experiment and theory are presented to demonstrate the applicability and limitations of linearized theory methods with and without empirical corrections. The use of an Euler code for the estimation of aerodynamic characteristics of a twisted and cambered wing and its application to design by iteration are discussed.

Carlson, Harry W.↗

Simplified aerodynamic analysis of the cyclogiro rotating wing system

A simplified aerodynamic theory of the cyclogiro rotating wing is presented herein. In addition, examples have been calculated showing the effect on the rotor characteristics of varying the design parameters of the rotor. A performance prediction, on the basis of the theory here developed, is appended, showing the performance to be expected of a machine employing this system of sustentation. The aerodynamic principles of the cyclogiro are sound; hovering flight, vertical climb, and a reasonable forward speed may be obtained with a normal expenditure of power. Auto rotation in a gliding descent is available in the event of a power-plant failure.

Wheatley, John B↗