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At least 1,243 records · Page 69

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DOE OSTI2024

Predicting metabolic modules in incomplete bacterial genomes with MetaPathPredict

The reconstruction of complete microbial metabolic pathways using ‘omics data from environmental samples remains challenging. Computational pipelines for pathway reconstruction that utilize machine learning methods to predict the presence or absence of KEGG modules in incomplete genomes are lacking. Here, we present MetaPathPredict, a software tool that incorporates machine learning models to predict the presence of complete KEGG modules within bacterial genomic datasets. Using gene annotation data and information from the KEGG module database, MetaPathPredict employs deep learning models to predict the presence of KEGG modules in a genome. MetaPathPredict can be used as a command line tool or as a Python module, and both options are designed to be run locally or on a compute cluster. Benchmarks show that MetaPathPredict makes robust predictions of KEGG module presence within highly incomplete genomes.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1988

Fatigue life prediction modeling for turbine hot section materials

This paper presents a summary of the life prediction methods developed under the NASA Lewis Research Center's Hot Section Technology (HOST) program. A major objective of the fatigue and fracture efforts under the HOST program was to significantly improve the analytic life prediction tools used by the aeronautical gas turbine engine industry. This has been achieved in the areas of high-temperature thermal and mechanical fatigue of bare and coated high-temperature superalloys. Such technical improvements will eventually reduce life cycle costs. The cyclic crack initiation and propagation resistance of nominally isotropic polycrystalline alloys and highly anisotropic single crystal alloys has been addressed. A sizeable data base has been generated for three alloys [cast PWA 1455 (B-1900 + Hf), wrought Inconel 718, and cast single crystal PWA 1480] in bare and coated conditions. Two coatings systems, diffusion aluminide (PWA 273) and plasma sprayed MCrAIY overlay (PWA 286) were employed. Life prediction modeling efforts were devoted to creep-fatigue interaction, oxidation, coatings interactions, multiaxiality of stress-strain states, mean stress effects, cumulative damage, and thermomechanical fatigue. The fatigue crack initiation life models developed to date include the Cyclic Damage Accumulation (CDA) Model of Pratt & Whitney and the Total Strain Version of Strainrange Partitioning (TS-SRP) of NASA Lewis for nominally isotropic materials, and the Tensile Hysteretic Energy Model of Pratt & Whitney for anisotropic superalloys. The fatigue model being developed by the General Electric Company is based upon the concepts of Path-lndependent Integrals (PII) for describing cyclic crack growth under complex nonlinear response at the crack tip due to thermomechanical loading conditions. A micromechanistic oxidation crack extension model has been derived by researchers at Syracuse University. The models are described and discussed in the paper. Only limited verification has been achieved to-date as several of the technical programs are still in progress and the verification tasks are scheduled, quite naturally, near the conclusion of the program. To-date, efforts have concentrated on development of independent models for cyclic constitutive behavior, cyclic crack initiation, and cyclic crack propagation. The transition between crack initiation and crack propagation has not been thoroughly researched as yet, and the integration of these models into a unified life prediction method has not been addressed.

Metal fatigue↗

NASA NTRS2016

Analyzing and Predicting Effort Associated with Finding and Fixing Software Faults

Context: Software developers spend a significant amount of time fixing faults. However, not many papers have addressed the actual effort needed to fix software faults. Objective: The objective of this paper is twofold: (1) analysis of the effort needed to fix software faults and how it was affected by several factors and (2) prediction of the level of fix implementation effort based on the information provided in software change requests. Method: The work is based on data related to 1200 failures, extracted from the change tracking system of a large NASA mission. The analysis includes descriptive and inferential statistics. Predictions are made using three supervised machine learning algorithms and three sampling techniques aimed at addressing the imbalanced data problem. Results: Our results show that (1) 83% of the total fix implementation effort was associated with only 20% of failures. (2) Both safety critical failures and post-release failures required three times more effort to fix compared to non-critical and pre-release counterparts, respectively. (3) Failures with fixes spread across multiple components or across multiple types of software artifacts required more effort. The spread across artifacts was more costly than spread across components. (4) Surprisingly, some types of faults associated with later life-cycle activities did not require significant effort. (5) The level of fix implementation effort was predicted with 73% overall accuracy using the original, imbalanced data. Using oversampling techniques improved the overall accuracy up to 77%. More importantly, oversampling significantly improved the prediction of the high level effort, from 31% to around 85%. Conclusions: This paper shows the importance of tying software failures to changes made to fix all associated faults, in one or more software components and/or in one or more software artifacts, and the benefit of studying how the spread of faults and other factors affect the fix implementation effort.

software fix implementation effort↗

NASA NTRS2017

Simulation-Based Height of Burst Map for Asteroid Airburst Damage Prediction

Entry and breakup models predict that airburst in the Earth's atmosphere is likely for asteroids up to approximately 200 meters in diameter. Objects of this size can deposit over 250 megatons of energy into the atmosphere. Fast-running ground damage prediction codes for such events rely heavily upon methods developed from nuclear weapons research to estimate the damage potential for an airburst at altitude. (Collins, 2005; Mathias, 2017; Hills and Goda, 1993). In particular, these tools rely upon the powerful yield scaling laws developed for point-source blasts that are used in conjunction with a Height of Burst (HOB) map to predict ground damage for an airburst of a specific energy at a given altitude. While this approach works extremely well for yields as large as tens of megatons, it becomes less accurate as yields increase to the hundreds of megatons potentially released by larger airburst events. This study revisits the assumptions underlying this approach and shows how atmospheric buoyancy becomes important as yield increases beyond a few megatons. We then use large-scale three-dimensional simulations to construct numerically generated height of burst maps that are appropriate at the higher energy levels associated with the entry of asteroids with diameters of hundreds of meters. These numerically generated HOB maps can then be incorporated into engineering methods for damage prediction, significantly improving their accuracy for asteroids with diameters greater than 80-100 m.

Burst Map↗

NASA NTRS2017

Real-Time Prediction of Safety Margins in the National Airspace

Underlying all operations in the National Airspace System (NAS) is the concept of safety. Safety, as defined by acceptable levels of risk, is to be maintained at all times. The real-time safety monitoring (RTSM) framework is under development to provide an automated system to quantify safety in the NAS, estimate the current level of safety, and predict the future evolution of safety and the occurrence of events that pose an increased risk to flights so that these occurrences can be managed strategically rather than mitigated reactively. This paper presents the mathematical framework, the models, and the monitoring and prediction algorithms used to achieve this. RTSM computes safety as expressed through a set of safety margins based on user-defined safety metrics, thresolds, and events. Sources of uncertainty are modeled and propagated through the predictions in order to compute the probabilistic evolution of safety and the probability of events that introduce increased risk to operations. A prototype implementation is discussed and results demonstrating feasibility are presented. The results highlight the kinds of predictions that can be computed and the fidelity that is currently achieved.

national airspace system↗

NASA NTRS2020

Predicting Gate Conflicts at Charlotte Douglas International Airport Using NASA ATD-2 Fused Data Sources

NASA is conducting the Airspace Technology Demonstration-2 to evaluate an Integrated Arrival, Departure, and Surface (IADS) traffic management system. The IADS system is powered by real-time System Wide Information Management feeds which provide an accurate and high fidelity view of the lifecycle of a flight. This data can be leveraged to drive efficiencies in the National Airspace System. For non safety critical applications there is opportunity for third party service providers to offer this type of data-driven prediction service in near real-time. This paper investigates the gate conflict prediction problem as a concrete use case which could help drive efficiencies. We model gate conflicts as a regression problem and describe the iterative process of model building, model validation, and evaluation used to assess the efficacy of our approach. We quantify our predictive accuracy and identify paths for improvement. Through this iterative process we hope to evolve our models and methods to a near real-time prediction service.

Airspace Technology Demonstration 2↗

NASA NTRS2021

A New Method for Predicting Turbulent Flow Reattachment Location: Application of Stratford Criterion for Reattaching Flows

A new method for predicting turbulent flow reattachment location has been developed. The method predicts the reattachment location using the surface static pressure distribution and requires only a single empirical parameter. The method is based on the well-known Stratford’s flow separation criterion, which results from an approximate solution to the equations of motion within the boundary layer. Because of the large pressure rise, the original Stratford separation criterion is not valid for reattaching flows. In order to apply the Stratford criterion for reattaching flows, the reference location was moved to the pressure drop conditions instead of pressure rise conditions. In addition, the pressure distribution was scaled using a technique that was originally introduced for supersonic base flows. A new empirical parameter was also obtained for the modified Stratford criterion. The method has been tested for 30 different separated flow configurations from the literature. The variety of test cases include subsonic flows, transonic flows, 2D flows, and axisymmetric flows, with experimental as well as high resolution numerical simulation results. The flow reattachment predictions with the new method agree very well with the reported data. The error is less than 5% and typically about 2%. The new method is an extremely simple and a quick way of finding the reattachment location. Given the complexities of the existing experimental techniques for finding the reattachment location, the method easily and quickly provides the flow reattachment location, which could be used to estimate the physical extent of separation bubbles, as a performance index for flow control methods, or to assess the predictive capability of turbulence models.

Flow reattachment location↗

NASA NTRSDate not supplied

Predicting contamination accumulation in facilities with limited data

In preparation for the James Webb Space Telescope (JWST) launch at Centre Spatial Guyanias (CSG) in French Guiana, particulate contamination accumulation predictions were necessary for each facility in which the hardware would be exposed because the Telescope would be uncovered in each of the facilities and had strict particulate requirements. These included facilities for final integration and testing, fueling, transportation and encapsulation. Minimal heritage data existed from CSG and previous launch campaigns to use as a basis for contamination predictions. Data from the Automatic Transfer Vehicle and Herschel & Planck launch campaigns were used in conjunction with facility monitoring data provided by ESA and data collected during JWST working group visits to CSG. These campaigns were conducted at varying cleanliness levels that were typically less stringent than JWST requirements. Each facility was evaluated using the data provided and likely performance improvement with the addition of High Efficiency Particulate Air filter (HEPA) banks operating when possible. Once the launch campaign was completed, the predicted fallout was compared with actual data collected throughout the campaign. Based on the actual measurements, JWST’s primary and secondary mirrors turned out to be much cleaner than what was predicted.

James Webb Space Telescope, contamination, cleanro↗

NASA NTRSDate not supplied

Predicting contamination accumulation in facilities with limited data

"In preparation for the James Webb Space Telescope (JWST) launch at Centre Spatial Guyanias (CSG) in French Guiana, particulate contamination accumulation predictions were necessary for each facility in which the hardware would be exposed because the Telescope would be uncovered in each of the facilities and had strict particulate requirements. These included facilities for final integration and testing, fueling, transportation and encapsulation. Minimal heritage data existed from CSG and previous launch campaigns to use as a basis for contamination predictions. Data from the Automatic Transfer Vehicle and Herschel & Planck launch campaigns were used in conjunction with facility monitoring data provided by ESA and data collected during JWST working group visits to CSG. These campaigns were conducted at varying cleanliness levels that were typically less stringent than JWST requirements. Each facility was evaluated using the data provided and likely performance improvement with the addition of High Efficiency Particulate Air filter (HEPA) banks operating when possible. Once the launch campaign was completed, the predicted fallout was compared with actual data collected throughout the campaign. Based on the actual measurements, JWST’s primary and secondary mirrors are likely much cleaner than was expected with the predicted fallout in each facility. "

James Webb Space Telescope, contamination, cleanro↗

NASA NTRSDate not supplied

GOES-T Goddard Magnetometer Sensor Unit Flight Thermal Predictions and On-Orbit Thermal Performance

The GOES-T Goddard Magnetometer (GMAG) sensor unit (SU) thermal design was validated by SU level thermal balance (TB) testing. The correlated SU thermal model was integrated to the observatory thermal model to predict the outboard SU temperatures and operating heater duty cycles in the worst cold case and worst hot case orbits. An orbit with the highest solar beta angle (23.5°) and an orbit with the lowest solar beta angle (0°) were run for each case. A comparison in the SU temperature predictions and heater duty cycles were made. The Autumnal Equinox (AE) cold case orbit is slightly colder than the Winter Solstice (WS) cold case orbit. The WS hot case orbit is slightly warmer than the March Equinox (VE) hot case orbit. Additionally, the lunar eclipse cold case orbit was run. It is the coldest environment. Using a 23°C set point for the SU cover heater controller, there is positive heater control for all the orbits. The heater duty cycle predictions for the AE worst cold case orbit and WS worst hot case orbit were 44.4% and 33% respectively. During the lunar eclipse, the heater cycle increases to 68.8% at the end of the eclipse. The temperature predictions for the bobbins are in the 21.9°C to 22.8°C range in the AE worst cold case orbit and in the 21.8°C to 23.0°C range in the WS worst hot case orbit. The SU temperatures during nominal operation on orbit were expected to be within the design goal, despite seasonal variations in solar beta angle and solar irradiance, and no solar flux in a lunar eclipse. The maximum operating SU cover flight heater duty cycle was expected to comply with GOLD Rule 4.25. The SU thermal design is now flight proven based on its long-term (>1 year) thermal performance on orbit.

GOES-T↗

NASA NTRSDate not supplied

Predicting Supersonic Noise at the Airport—Tech Challenge Wrapup

NASA has completed a Technical Challenge to reduce uncertainty of predicting the noise of future commercial supersonic aircraft around the airport. Noise prediction models being used to guide manufacturers and regulators have previously been based on conventional aircraft configurations. Aircraft configurations required for supersonic flight are not predicted well by these models. NASA used physics-based simulations along with some historical data to extend noise prediction models to cover aircraft designs typical of near-term market concepts. The presentation gives an overview of this work and its lasting accomplishments.

supersonic↗

DOE OSTI2023

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

Storm-DEPART (Damage Estimate Prediction and Restoration Tool): Each year hurricanes and tropical storms in the United States damage critical infrastructure assets, disrupt the services they provide, and cause millions to billions of dollars in economic impacts due to extended recovery times. The Storm-DEPART tool and analytical output enable more impactful data-driven decision-making capabilities and strengthen national-level disaster preparedness, response, and recovery. Storm-DEPART, built through multi-month collaboration between Entergy and INL, combines Entergy’s critical infrastructure inventory data with weather forecasts to predict damages to Electric utility’s assets due to natural disasters and the estimated recovery support needed, including time, materials, and resource allocation. In the event of an approaching hurricane, this innovative solution can assess potential damage to power generation capacity, transmission grids, distribution networks, and communications assets from wind bands, storm surge, and flooding. With more effective predictions, Entergy can more efficiently allocate resources to mitigate impacts and optimize recovery for customers. Storm-DEPART also allows Electric utilities the ability to apply a planning scenario and model expected damage to better inform infrastructure restoration needs leading to enhance system resiliency. The technology is fully transferrable to other electric utilities with the same damage estimating challenges. The INL team is working on the evolution of Storm-DEPART to include ice event damage prediction framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

General-Purpose Heat Source Radioisotope Thermoelectric Generator Flight Unit 5 Refurbished (GPHS-RTG F5R) Power Prediction

INL has evaluated and refurbished General Purpose Heat Source (GPHS) Radioisotope Thermoelectric Generator (RTG) Flight Unit 5 (GPHS-RTG F5R or F5R) that was defueled in 2005. The generator has passed all the INL internal reviews, an end item data package has been delivered to NASA and is ready fueling for a mission. NASA requested a user’s guide for F5R with enough detail for a prospective mission proposal. This report documents the development of the power prediction model used in the user’s guide. The prediction evaluated the thermoelectric “burn-in” and the graceful degradation modes of the missions and developed a thermal inventory dependent equation that predicts the power that matches Galileo, Cassini, and PNH within a three-standard deviation of ±1%. This prediction is only valid for the 30 VDC load voltage of these missions.

30 - DIRECT ENERGY CONVERSION↗

DOE OSTI2025

Systematic feature design for cycle life prediction of lithium-ion batteries during formation

Optimization of the formation step in lithium-ion battery manufacturing is challenging due to limited physical understanding of solid-electrolyte interphase formation and the long testing time (∼100 days) for cells to reach the end of life. We propose a systematic feature-design framework that requires minimal domain knowledge for accurate cycle life prediction during formation. By only using two simple Q (V) features designed from our framework, extracted from formation data without any additional diagnostic cycles, we achieved an average of 9.87% error for cycle life prediction. Here, the physics-based investigation guided by the two designed features shows that the voltage ranges identified by our framework capture the effects of formation temperature and microscopic-particle resistance heterogeneity. By designing highly predictive, robust, and interpretable features, our approach can accelerate industrial battery formation research, leveraging the interplay between data-driven feature design and mechanistic understanding.

25 ENERGY STORAGE↗

DOE OSTI2023

Experimental and computational design tools for industrial drying processes: Challenges in process‐limit prediction

Abstract The coating and drying of inks and slurries are important steps to manufacture a plethora of products. Drying processes, particularly, comprise energy‐intensive steps that affect product cost and quality. Prior work has highlighted failures of various multicomponent diffusivity models to conserve mass in dryer modeling and challenges in predicting process limits given variability in published values of key thermodynamic parameters. Herein, we develop a computational model and benchtop drying experiments to investigate these concerns for drying polymer‐laden coatings. Model predictions of process limits in a single‐zone drying oven demonstrate that published variability in Flory–Huggins parameter yields large variations in predicted operating temperatures above which blistering occurs. This indicates that caution should be exercised when choosing approaches to obtain or predict the Flory–Huggins parameter, and that both benchtop drying experiments and a set of additional experiments, such as sorption experiments, are needed to fully characterize and optimize a given drying process.

Parrish, Chance↗

DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 -C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Furthermore, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 –C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Further, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗