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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

BatAnalysis - A Comprehensive Python Pipeline for Swift BAT Survey Analysis

The Swift Burst Alert Telescope (BAT) is a coded-aperture gamma-ray instrument with a large field of view that primarily operates in survey mode when it is not triggering on transient events. The survey data consist of 80-channel detector plane histograms that accumulate photon counts over periods of at least 5 minutes. These histograms are processed on the ground and are used to produce the survey data set between 14 and 195 keV. Survey data comprise >90% of all BAT data by volume and allow for the tracking of long-term light curves and spectral properties of cataloged and uncataloged hard X-ray sources. Until now, the survey data set has not been used to its full potential due to the complexity associated with its analysis and the lack of easily usable pipelines. Here, we introduce the BatAnalysis Python package, a wrapper for HEASoftpy, which provides a modern, open-source pipeline to process and analyze BAT survey data. BatAnalysis allows members of the community to use BAT survey data in more advanced analyses of astrophysical sources, including pulsars, pulsar wind nebula, active galactic nuclei, and other known/unknown transient events that may be detected in the hard X-ray band. We outline the steps taken by the Python code and exemplify its usefulness and accuracy by analyzing survey data of the Crab Nebula, NGC 2992, and a previously uncataloged MAXI transient. The BatAnalysis package allows for ~18 yr of BAT survey data to be used in a systematic way to study a large variety of astrophysical sources.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1990

Elimination of Gibbs' phenomena from error analysis of finite element results

This paper is one of a series on error analysis and correction of finite element solutions for plates and shells. The error analysis in the earlier papers used half-range double Fourier sine series for numerical harmonic analysis. The half-range formulas are simple to apply, but they can be inaccurate near the ends of the ranges of the independent variables. The Gibbs' phenomenon exhibited by half-range sine series in one independent variable has a two-dimensional analog; a classic example is the Navier solution in a double half-range sine series for the simply supported plate under a uniform load. A simple change of variables is introduced in the paper to improve the accuracy of the double Fourier sine series without adding complexity to the numerical analysis. The change of variables is applied to the problem of approximating a transverse load that is tabulated on a rectangular grid. A solution based on the change of variables is compared with results from the Navier solution for the simply supported plate problem and finite element results for the same problem.

Thurston, Gaylen A.↗
DOE OSTI2020

Reinterpreting π-stacking

The nature of π–π interactions has long been debated. The term “π-stacking” is considered by some to be a misnomer, in part because overlapping π-electron densities are thought to incur steric repulsion, and the physical origins of the widely-encountered “slip-stacked” motif have variously been attributed to either sterics or electrostatics, in competition with dispersion. Here, we use quantum-mechanical energy decomposition analysis to investigate π–π interactions in supramolecular complexes of polycyclic aromatic hydrocarbons, ranging in size up to realistic models of graphene, and for comparison we perform the same analysis on stacked complexes of polycyclic saturated hydrocarbons, which are cyclohexane-based analogues of graphane. Our results help to explain the short-range structure of liquid hydrocarbons that is inferred from neutron scattering, trends in melting-point data, the interlayer separation of graphene sheets, and finally band gaps and observation of molecular plasmons in graphene nanoribbons. Analysis of intermolecular forces demonstrates that aromatic π–π interactions constitute a unique and fundamentally quantum-mechanical form of non-bonded interaction. Not only do stacked π–π architectures enhance dispersion, but quadrupolar electrostatic interactions that may be repulsive at long range are rendered attractive at the intermolecular distances that characterize π-stacking, as a result of charge penetration effects. The planar geometries of aromatic sp 2 carbon networks lead to attractive interactions that are “served up on a molecular pizza peel”, and adoption of slip-stacked geometries minimizes steric (rather than electrostatic) repulsion. The slip-stacked motif therefore emerges not as a defect induced by electrostatic repulsion but rather as a natural outcome of a conformational landscape that is dominated by van der Waals interactions (dispersion plus Pauli repulsion), and is therefore fundamentally quantum-mechanical in its origins. This reinterpretation of the forces responsible for π-stacking has important implications for the manner in which non-bonded interactions are modeled using classical force fields, and for rationalizing the prevalence of the slip-stacked π–π motif in protein crystal structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Fluid dynamic simulation and analysis of water-cooling systems for the Electron-Ion Collider

The Electron-Ion Collider is the newest large-scale project at Brookhaven National Laboratory. The collider’s purpose is to provide further advancements in the knowledge of the universe’s origin by accelerating particles near the speed of light. Our project for this 3.8 km ring was to create a thermal hydraulic steady-state simulation design of the water-cooling system to be cost-effective and energy efficient, as envisioned by Charlie Foltz, the EIC Infrastructure Division Director. The system would include a supply and return header, which cools several thousand components of the ring. The water would then be returned and cooled down using a system of cooling towers and plate and frame heat exchangers. Due to the size of the system and the complexity of the network analysis, a fluid dynamic simulation software, AFT Fathom, was used. Since previous methods of maintaining systems relied on building upon smaller real-life models and implementing empirical data, this flow model was unique and first of a kind in the domain of accelerator design, construction and operation. Therefore, our hydraulic team piloted a new method to perform network analysis on a large scale cooling system. We successfully created several test scenarios for system behavior in a shorter time compared to the method of performing hand calculations. Cooling specifications for heat rejection, pressure drop, flow rate, and pipe sizing were changed based on the individual systems of the vacuum, radio frequency (RF), magnet and power supply, and cryogenics sections. Finally, we used DOE guidelines to perform life-cycle cost analysis with net present value and carbon saving analysis on the systems where pipe size could be optimized.

43 PARTICLE ACCELERATORS↗
NASA NTRS2015

NPP ATMS Snowfall Rate Product

Passive microwave measurements at certain high frequencies are sensitive to the scattering effect of snow particles and can be utilized to retrieve snowfall properties. Some of the microwave sensors with snowfall sensitive channels are Advanced Microwave Sounding Unit (AMSU), Microwave Humidity Sounder (MHS) and Advance Technology Microwave Sounder (ATMS). ATMS is the follow‐on sensor to AMSU and MHS. Currently, an AMSU and MHS based land snowfall rate (SFR) product is running operationally at NOAA/NESDIS. Based on the AMSU/MHS SFR, an ATMS SFR algorithm has been developed recently. The algorithm performs retrieval in three steps: snowfall detection, retrieval of cloud properties, and estimation of snow particle terminal velocity and snowfall rate. The snowfall detection component utilizes principal component analysis and a logistic regression model. The model employs a combination of temperature and water vapor sounding channels to detect the scattering signal from falling snow and derive the probability of snowfall (Kongoli et al., 2015). In addition, a set of NWP model based filters is also employed to improve the accuracy of snowfall detection. Cloud properties are retrieved using an inversion method with an iteration algorithm and a two‐stream radiative transfer model (Yan et al., 2008). A method developed by Heymsfield and Westbrook (2010) is adopted to calculate snow particle terminal velocity. Finally, snowfall rate is computed by numerically solving a complex integral. NCEP CMORPH analysis has shown that integration of ATMS SFR has improved the performance of CMORPH‐Snow. The ATMS SFR product is also being assessed at several NWS Weather Forecast Offices for its usefulness in weather forecast.

Forecasting↗
DOE OSTI2023

A Transductive Graph Neural Network learning for Grid Resilience Analysis

Power grids are critical infrastructures that require robust resilience analysis to ensure reliable and uninterrupted electricity supply. Traditional simulation-based methods for grid resilience analysis suffer from computational complexity and limited ability to capture the full spectrum of potential disruptions. This paper presents a novel approach to enhance grid resilience by leveraging transductive graph neural network (GNN) learning to identify critical nodes and links. By leveraging the graph structure and system features, GNNs effectively learn resilience metrics and accurately identify critical nodes based on actual grid operational behavior. The efficacy of the proposed approach is demonstrated through case studies on node criticality scoring and critical node/line identification in cascading outage scenarios. The results highlight the advantages of learning-based methods over traditional simulation-based approaches and their potential to revolutionize grid resilience analysis. The contributions of this paper include a graph-based scalable approach for fast cascading analysis, an inductive formulation for training GNN models, and a transfer learning-based approach to scale the model to largescale power systems.

grid resilience, graph neural networks, transducti↗
NASA NTRS1984

Conceptual design of a monitoring system for the Charters of Freedom

A conceptual design of a monitoring system for the Charters of Freedom was developed for the National Archives and Records Service. The monitoring system would be installed at the National Archives and used to document the condition of the Charters as part of a regular inspection program. The results of an experimental measurements program that led to the definition of analysis system requirements are presented, a conceptual design of the monitoring system is described and the alternative approaches to implementing this design were discussed. The monitoring system is required to optically detect and measure deterioration in documents that are permanently encapsulated in glass cases. An electronic imaging system with the capability for precise photometric measurements of the contrast of the script on the documents can perform this task. Two general types of imaging systems are considered (line and area array), and their suitability for performing these required measurements are compared. A digital processing capability for analyzing the electronic imaging data is also required, and several optional levels of complexity for this digital analysis system are evaluated.

Cutts, J. A.↗
NASA NTRSDate not supplied

Comprehensive Analysis Aeroelastic Stability Predictions for the Mars Sample Recovery Helicopters and Ingenuity

A rotorcraft comprehensive analysis was used to generate aeroelastic stability predictions for both Ingenuity and the Mars Sample Recovery Helicopters. The analysis was performed multiple times for each rotor system with sequential increases to the level of modeling complexity. Initial cases used an independent blade analysis, trim inflow distribution, no airframe degrees of freedom, and a hover condition (a time-invariant problem). The final model used all blades, dynamic inflow, airframe degrees of freedom, and a Floquet theory approach to the flutter analysis. The approach of sequentially increasing modeling complexity was employed to ensure the causes of any observed instabilities could be identified. For each case, stability results were determined across a range of air densities, tip Mach numbers, and rotor collective pitch settings. For the Sample Recovery Helicopter, a forward flight condition analysis with the highest level of modeling complexity was also performed. The aeroelastic stability predictions showed both the Ingenuity and Sample Recovery Helicopter rotor systems to be stable for all analyzed conditions. Parameter excursions of structural properties were performed to explore conditions resulting in aeroelastic instabilities.

Aeroelastic↗
DOE OSTI2025

Discovery of FoTO1 and Taxol genes enables biosynthesis of baccatin III

Abstract Plants make complex and potent therapeutic molecules 1,2 , but sourcing these molecules from natural producers or through chemical synthesis is difficult, which limits their use in the clinic. A prominent example is the anti-cancer therapeutic paclitaxel (sold under the brand name Taxol), which is derived from yew trees (Taxusspecies) 3 . Identifying the full paclitaxel biosynthetic pathway would enable heterologous production of the drug, but this has yet to be achieved despite half a century of research 4 . WithinTaxus’ large, enzyme-rich genome 5 , we suspected that the paclitaxel pathway would be difficult to resolve using conventional RNA-sequencing and co-expression analyses. Here, to improve the resolution of transcriptional analysis for pathway identification, we developed a strategy we term multiplexed perturbation × single nuclei (mpXsn) to transcriptionally profile cell states spanning tissues, cell types, developmental stages and elicitation conditions. Our data show that paclitaxel biosynthetic genes segregate into distinct expression modules that suggest consecutive subpathways. These modules resolved seven new genes, allowing a de novo 17-gene biosynthesis and isolation of baccatin III, the industrial precursor to Taxol, inNicotiana benthamianaleaves, at levels comparable with the natural abundance inTaxusneedles. Notably, we found that a nuclear transport factor 2 (NTF2)-like protein, FoTO1, is crucial for promoting the formation of the desired product during the first oxidation, resolving a long-standing bottleneck in paclitaxel pathway reconstitution. Together with a new β-phenylalanine-CoA ligase, the eight genes discovered here enable the de novo biosynthesis of 3’-N-debenzoyl-2’-deoxypaclitaxel. More broadly, we establish a generalizable approach to efficiently scale the power of co-expression analysis to match the complexity of large, uncharacterized genomes, facilitating the discovery of high-value gene sets.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

Introduction to the IMPACT Probabilistic Risk and Tradespace Analysis Tool for Medical System Design

Background: Probabilistic risk analysis (PRA) is a method for estimating risk in complex engineered systems that, at a basic level, focuses on what can go wrong and the likelihood and consequences of those occurrences. NASA has used PRA as an integral component of medical system risk estimation and design for spaceflight. IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool to meet these goals for exploration missions. Overview: IMPACT performs hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. These simulations are based on 120 possible medical conditions (the IMPACT Condition List) selected in a consensus-based process because they are of highest likelihood and/or consequence for exploration spaceflight. The conditions are then tied to clinical capabilities which can be used for management (e.g., inserting an IV) and then to over 600 specific resources needed to deliver a capability (e.g., an angiocath or an ultrasound). Different mission profiles can be simulated with user-specified inputs such as mission duration, destination, number of crew and pre-existing medical conditions, and EVA frequency. While the IMPACT evidence base is designed for exploration environments, these user inputs allow the tool to be used across a broad range of missions. IMPACT’s primary outcome metrics include loss of crew life (LOCL, a measure of in-flight mortality due to medical conditions), need for evacuation (RTDC, return to definitive care), and crew disability (TTL, task time lost based on how medical conditions impact the ability to perform over 1000 specific exploration mission crew tasks). In addition to modeling medical risk, IMPACT also accepts user-specified constraints, such as limitations of mass or volume, and will output a recommended clinical capability set and specific medical resources that meet the mission constraints. Discussion: This abstract will provide an introduction to IMPACT and describe the nature of the underlying medical evidence. It will also detail potential use cases for how this tool can be utilized by NASA or commercial spaceflight providers.

Ben Easter↗
NASA NTRS1991

A general multiblock Euler code for propulsion integration. Volume 1: Theory document

A general multiblock Euler solver was developed for the analysis of flow fields over geometrically complex configurations either in free air or in a wind tunnel. In this approach, the external space around a complex configuration was divided into a number of topologically simple blocks, so that surface-fitted grids and an efficient flow solution algorithm could be easily applied in each block. The computational grid in each block is generated using a combination of algebraic and elliptic methods. A grid generation/flow solver interface program was developed to facilitate the establishment of block-to-block relations and the boundary conditions for each block. The flow solver utilizes a finite volume formulation and an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. The generality of the method was demonstrated through the analysis of two complex configurations at various flow conditions. Results were compared to available test data. Two accompanying volumes, user manuals for the preparation of multi-block grids (vol. 2) and for the Euler flow solver (vol. 3), provide information on input data format and program execution.

Chen, H. C.↗
NASA NTRS1993

An empirical comparison of a dynamic software testability metric to static cyclomatic complexity

This paper compares the dynamic testability prediction technique termed 'sensitivity analysis' to the static testability technique termed cyclomatic complexity. The application that we chose in this empirical study is a CASE generated version of a B-737 autoland system. For the B-737 system we analyzed, we isolated those functions that we predict are more prone to hide errors during system/reliability testing. We also analyzed the code with several other well-known static metrics. This paper compares and contrasts the results of sensitivity analysis to the results of the static metrics.

Voas, Jeffrey M.↗
DOE OSTI2026

A Guide to Nonaqueous Electrochemistry of f-Element Complexes

Electrochemistry is a powerful tool for assessing and understanding the redox chemistry of molecular complexes. Cyclic voltammetry enables the f-element community to study molecules in unusually high or low oxidation states, which potentially pose important broad-scope questions of electronic structure. In the pursuit of boundary-pushing compounds, reactive air- and moisture-sensitive species are often encountered, which can be challenging to characterize, especially when they are chemically incompatible with certain solvents, electrolytes, or electrodes or when their potentials lie outside of common electrochemical windows. Nonaqueous solvents and pseudo reference electrodes complicate many of the standard practices in acquiring high-quality and reproducible electrochemical data. This guide presents a detailed discussion of selecting appropriate cell conditions and referencing and addresses metrics for evaluating electrochemical and chemical reversibility. These methodological approaches have been extended to best practices for the electrochemical analysis of radioactive transuranic complexes.

Electrodes↗
DOE OSTI2019

Corrosion Inhibition Study of Mg-Nd-Y High Strength Magnesium Alloy Using Organic Inhibitor

A study on corrosion inhibition mechanism has been performed on rare earth containing WE43 magnesium alloy in 3.5 wt.% NaCl containing 8-hydroxyquinoline (HQ). After an initial increase in corrosion rate due to the formation of sparingly soluble MgQ{sub 2} complex, it was found to decrease owing to inhibition effect of the complex. Scanning electrochemical microscopic analysis showed a decrease in corrosion currents and enhanced resistance to pitting corrosion was observed for WE43 samples in the presence of HQ after an exposure of 48 h. With time, the MgQ{sub 2} thus generated formed a protective layer on the Mg alloy surface to prevent further corrosion. The corrosion rate of WE43 samples decreased by ~ 50% in HQ containing medium after a constant exposure of 28 days (from ~ 0.22 mg/cm{sup 2} day in no HQ to ~ 0.11 mg/cm{sup 2} day in HQ). For the WE43 samples in the presence of HQ, formation of MgO and MgQ{sub 2} was detected by x-ray photoelectron spectroscopy and x-ray diffraction. Shallower and smaller pits appeared on the magnesium alloy with HQ in the solution as compared to deeper and larger pits on the samples with no HQ in the solution. The significance of metal-complexing organic agent, hydroxyquinoline, in initial acceleration and subsequent prevention of Mg corrosion via protective MgQ{sub 2} complex layer formation is demonstrated.

36 MATERIALS SCIENCE↗
NASA NTRS2014

A Multi-Parameter Approach for Calculating Crack Instability

An accurate fracture control analysis of spacecraft pressure systems, boosters, rocket hardware and other critical low-cycle fatigue cases where the fracture toughness highly impacts cycles to failure requires accurate knowledge of the material fracture toughness. However, applicability of the measured fracture toughness values using standard specimens and transferability of the values to crack instability analysis of the realistically complex structures is refutable. The commonly used single parameter Linear Elastic Fracture Mechanics (LEFM) approach which relies on the key assumption that the fracture toughness is a material property would result in inaccurate crack instability predictions. In the past years extensive studies have been conducted to improve the single parameter (K-controlled) LEFM by introducing parameters accounting for the geometry or in-plane constraint effects]. Despite the importance of the thickness (out-of-plane constraint) effects in fracture control problems, the literature is mainly limited to some empirical equations for scaling the fracture toughness data] and only few theoretically based developments can be found. In aerospace hardware where the structure might have only one life cycle and weight reduction is crucial, reducing the design margin of safety by decreasing the uncertainty involved in fracture toughness evaluations would result in lighter hardware. In such conditions LEFM would not suffice and an elastic-plastic analysis would be vital. Multi-parameter elastic plastic crack tip field quantifying developments combined with statistical methods] have been shown to have the potential to be used as a powerful tool for tackling such problems. However, these approaches have not been comprehensively scrutinized using experimental tests. Therefore, in this paper a multi-parameter elastic-plastic approach has been used to study the crack instability problem and the transferability issue by considering the effects of geometrical constraints as well as the thickness. The feasibility of the approach has been examined using a wide range of specimen geometries and thicknesses manufactured from 7075-T7351 aluminum alloy.

Zanganeh, M.↗
DOE OSTI2021

Unraveling the discontinuous plastic flow of a Co-Cr-Fe-Ni-Mo multiprincipal-element alloy at deep cryogenic temperatures

We report an analysis of the discontinuous plastic flow of a multiprincipal-element alloy, Co 17.5 Cr 12.5 Fe 55 Ni 10 Mo 5 (atomic percent, at. %), in the temperature range of 0.5–4.2 K showing serrated deformation curves. Using the analytical techniques, we studied the statistics of the stress drops associated with the unstable plastic flow. The analysis showed that the complexity and heterogeneity of a discontinuous plastic flow were reduced when the temperature was lowered. This behavior was associated with the effects of dynamic recovery and adiabatic heating on the dislocation-density evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring Architectural-Aware Affinity Policies in Modern HPC Runtimes

Modern commodity and High-Performance Computing (HPC) systems are evolving with complex CPU architectures. These architectures now feature higher core and NUMA domain counts and implement features such as hyperthreading. When considering significant differences in hardware configurations, library availability, and hardware-tailored system/software stacks, which could substantially vary from one system to another, performance portability is hard to achieve. Throughout the years, this trend resulted in an increasingly high burden on application developers to fine-tune their workloads for each architecture. This work explores how hardware-dependent aspects such as locality/process/thread affinity affect performance in modern CPU architectures. We focus our study on the Global Memory and Threading (GMT) distributed runtime system as a representative of Partitioned Global Address Space (PGAS) software stacks commonly adopted for productivity. In particular, to appreciate performance implications, we evaluate GMT’s thread affinity policies, and, introduce two new ones which exploit architectural awareness. Finally, we explore alternative NUMA configurations via different process bindings and perform a scalability study on three HPC clusters with varying CPU architectures and NUMA layouts. Our analysis indicates that more complex architectures are more affected by affinity and binding policies and highlights the importance of setting proper runtime configurations to achieve superior performance.

Di Dio Lavore, Ian↗
DOE OSTI2019

PAO

PAO supports the formulation and analysis of mathematical models for complex optimization applications. This capability is commonly associated with algebraic modeling languages (AMLs), which support the description and analysis of mathematical models with a high-level language. PAO is derived from the Pyomo subpackage pyomo.bilevel, which has been deprecated. PAO supports the formulation and solution of optimization models that explicitly represent adversarial behavior. This includes variances of bilevel programming, including methods that represent challenging problems with discrete decisions and uncertain model parameters.

Hart, William↗