Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “common information model”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Application of aerosol-ice nucleating particle closure to establish the leading parameters governing ice crystal number concentration under commonly observed mixed-phase cloud conditions

This is the final technical report for DOE DE-SC0021034 award entitled “Application of aerosol-ice nucleating particle closure to establish the leading parameters governing ice crystal number concentration under commonly observed mixed-phase cloud conditions”. The overarching objective of this project was to gain a predictive understanding of the processes that lead from aerosols to ice-nucleating particles (INPs) to ice crystal number concentrations (ICNCs) in stratiform mixed-phase clouds where supercooled water droplets and ice crystals coexist, and to inform climate model parameterizations. During this four-year project we addressed the three main research goals of this objective: 1) Study the aerosol-INP link; 2) Develop an aerosol-cloud column model (AC-1D); and 3) Study the INP-ICNC link. Those activities significantly advanced our predictive understanding of how to represent INPs in could models and its implications on ice crystal number concentrations. The results have been published in five peer-reviewed publications with three more in review and preparation. It allowed for collaboration resulting in additional fourteen peer-reviewed publications that are concerned with the objective of this research project. This research has been communicated to the scientific community at national and international meetings and conferences by numerous talks, seminars, and posters including fifteen invited presentations. This project allowed training of four graduate students and one postdoctoral research associate resulting in one M.S. thesis and advancement to Ph.D. candidacy.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Technologies for unattended network operations

The necessary network management functions for a telecommunications, navigation and information management (TNIM) system in the framework of an extension of the ISO model for communications network management are described. Various technologies that could substantially reduce the need for TNIM network management, automate manpower intensive functions, and deal with synchronization and control at interplanetary distances are presented. Specific technologies addressed include the use of the ISO Common Management Interface Protocol, distributed artificial intelligence for network synchronization and fault management, and fault-tolerant systems engineering.

Jaworski, Allan↗
NASA NTRS1992

Orbit determination by solving for gravity parameters with multiple arc data

The orbit of a satellite that repeats in the earth fixed coordinates is determined by combining GPS tracking data from multiple arcs. The satellite dynamics are modeled with the epoch state and a set of parameters, called the bin parameters, that account for the effect of the local gravitational field on the satellite current state. The epoch state is specific to each arc, and the bin parameters are common to all repeat arcs. The estimation algorithm is based on the Square Root Information Filter. It involves partitioning of the measurement matrix and use of the Householder transformation to combine multiple arc data and solve for the epoch states and the bin parameters. The bin parameters can then be converted into the earth's gravitational field with a modest amount of computation.

Wu, Jiun-Tsong↗
NASA NTRS2007

NIRSS Upgrades: Final Report

This year we were able to further the NIRSS program by re-writing the data ingest and display code from LabVIEW to C++ and Java. This was leveraged by a University of Colorado Computer Science Department Senior Project. The upgrade made the display more portable and upgradeable. Comparisons with research aircraft flights conducted during AIRS-2 were also done and demonstrate reasonable skill in determining cloud altitudes and liquid water distribution. Improvements can still be made to the cloud and liquid logic. The icing hazard index was not evaluated here since that represents work in progress and needs to be made compatible with the new CIP-Severity algorithm. CIP is the Current Icing Potential product that uses a combination decision tree/fuzzy logic algorithm to combine numerical weather model output with operational sensor data (NEXRAD, GOES, METARs and voice pilot reports) to produce an hourly icing diagnosis across the CONUS. The new severity algorithm seeks to diagnose liquid water production through rising, cooling air, and depletion by ice processes. The information used by CIP is very different from that ingested by NIRSS but some common ground does exist. Additionally, the role of NIRSS and the information it both needs and provides needs to be determined in context of the Next Generation Air Traffic System (NGATS). The Weather Integrated Products Team has a plan for an Initial Operating Capability (IOC) to take place in 2012. NIRSS is not explicitly a part of that IOC but should be considered as a follow-on as part of the development path to a 2025 full capability.

Politovich, Marcia K.↗
DOE OSTI2022

What you get is not always what you see—pitfalls in solar array assessment using overhead imagery

Effective integration planning for small, distributed solar photovoltaic (PV) arrays into electric power grids requires access to high quality data: the location and power capacity of individual solar PV arrays. Unfortunately, national databases of small-scale solar PV do not exist; those that do are limited in their spatial resolution, typically aggregated up to state or national levels. While several promising approaches for solar PV detection have been published, strategies for evaluating the performance of these models are often highly heterogeneous from study to study. The resulting comparison of these methods for practical applications for energy assessments becomes challenging and may imply that the reported performance evaluations overly optimistic. The heterogeneity comes in many forms, each of which we explore in this work: the degree of diversity of the locations and sensors (e.g. different satellites, aerial photography) from which the training and validation data originate, the validation of ground truth (manual annotation of imagery vs known solar PV locations), the level of spatial aggregation (e.g. array-level vs regional estimates), and inconsistencies in the training and validation datasets (e.g. different datasets are used for each study and those data are not always made accessible). For each, we discuss emerging practices from the literature to address them or suggest directions of future research. As part of our investigation, we evaluate solar PV identification performance in two large regions: the entire state of Connecticut and the city of San Diego, CA. In Connecticut, we also use 33,114 known parcel-level solar PV installations from Berkeley Lab’s Tracking the Sun dataset to evaluate parcel-level performance and evaluate capacity estimates using 169 municipalities. We also make our code (which we call SolarMapper), pre-trained models, training data, and predictions publicly available and provide a web portal for interactively inspecting each prediction that was made. Here our findings suggest that traditional performance evaluation of the automated identification of solar PV from satellite imagery may be optimistic due to common limitations in the validation process. The takeaways from this work are intended to inform and catalyze the large-scale practical application of automated solar PV assessment techniques by energy researchers and professionals.

14 SOLAR ENERGY↗
DOE OSTI2023

Semi-Automatic Geographic Information System Framework for Creating Photo-Realistic Digital Twin Cities to Support Autonomous Driving Research

Digital twin cities are frequently used in vehicle and traffic simulations to render realistic on-road driving scenarios under various traffic and environmental conditions. These digital twins provide a high-fidelity replica of the physical world (e.g., buildings, roads, infrastructures, traffic) to create three-dimensional (3D) virtual-physical environments to support various emerging vehicle and transportation technologies such as connected and automated vehicles. These virtual environments provide a cost-effective digital proving ground to evaluate, validate, and test emerging technologies that include control algorithms, localization, perception, and sensors. Replicating a real-world traffic scenario in a digital twin using a traditional 3D modeling approach is a time-consuming and labor-intensive effort. Here this paper presents a semi-automated spatial framework to construct realistic 3D digital twin cities to support autonomous driving research using readily available geographic information system (GIS) data and 3D prefabricated (prefab) models. We start with a comprehensive review of geospatial data sources of essential digital entities required in a 3D digital twin city and present an integrated GIS-3D modeling pipeline using customized QGIS/GDAL and Blender scripting in Python. The pipeline outputs are realistic 3D digital twin cities compatible with common vehicle simulation software, such as CARLA and IPG CarMaker. The paper closes with a showcase to demonstrate the quality and usability of a digital twin city created to replicate the Shallowford Road corridor in Chattanooga in both Unity and Unreal engine-based virtual environment. The generated digital twin city can be applied to a hardware-in-the-loop simulation environment with an actual testing vehicle to facilitate autonomous driving research.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Clean energy technology pathways from research to commercialization: Policy and practice case studies

Clean energy research and development (R and D) leading to commercial technologies is vital to economic development, technology competitiveness, and reduced environmental impact. Over the past 30 years, such efforts have advanced technology performance and reduced cost by leveraging network effects and economies of scale. After demonstrating promise in applied R and D, successful clean energy and energy efficiency technologies are incorporated into an initial product sold by the private sector. Despite its importance, processes by which first commercialization occurs are difficult to generalize while capturing specific insights from practitioners in markets and technologies. This paper presents a policy-focused qualitative assessment of the first commercialization of four diverse energy technologies: thin film photovoltaics, wind turbine blades, dual-stage refrigeration evaporators, and fuel cells for material handling equipment. Each technology presents distinct value propositions, markets, and regulatory drivers. The case studies indicate three common characteristics of successful first commercialization for new energy technologies: 1) good fit between the technology, R&D infrastructure, and public-private partnership models; 2) high degree of alignment of government regulations and R&D priorities with market forces; and 3) compatibility between time scales required for R&D, product development, and opportunities. These findings may inform energy investment decision-making, maximize benefits from R&D, and advance the transition to a low-emission future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1991

On representation of fracture profiles by fractional integrals of a Wiener process

An enhancement of the crack diffusion model of brittle fracture is proposed. In the model, certain probabilities are evaluated as averages over the set of all virtual crack paths, and the latter are modeled as realization of a Wiener process. However, commonly observed fracture profiles are smoother. In fact, one can show that their fractal dimension is smaller than the value 3/2 for a Wiener process. Accordingly, it is proposed to represent fracture profiles by graphs of fractional integrals of a Wiener process. This allows one to employ additional fractographic information obtained from fracture profiles, e.g. their fractal dimension, in a predictive formalism, evaluating probabilities of failure.

Kunin, B.↗
NASA NTRS2013

It's the Heat AND the Humidity -- Assessment of Extreme Heat Scenarios to Enable the Assessment of Climate Impacts on Public Health

In the United States, extreme heat is the most deadly weather-related hazard. In the face of a warming climate and urbanization, which contributes to local-scale urban heat islands, it is very likely that extreme heat events (EHEs) will become more common and more severe in the U.S. In a NASA-funded project supporting the National Climate Assessment, we are providing historical and future measures of extreme heat to enable assessments of the impacts of heat on public health over the coterminous U.S. We use atmospheric temperature and humidity information from meteorological reanalysis and from Global Climate Models (GCMs) to provide data on past and future heat events. The project s emphasis is on providing assessments of the magnitude, frequency and geographic distribution of extreme heat in the U.S. to facilitate public health studies. In our approach, long-term climate change is captured with GCM output, and the temporal and spatial characteristics of short-term extremes are represented by the reanalysis data. Two future time horizons, 2040 and 2090, are the focus of future assessments; these are compared to the recent past period of 1981-2000. We are characterizing regional-scale temperature and humidity conditions using GCM output for two climate change scenarios (A2 and A1B) defined in the Special Report on Emissions Scenarios (SRES). For each future period, 20 years of multi-model GCM output have been analyzed to develop a heat stress climatology based on statistics of extreme heat indicators. Differences between the two future and past periods have been used to define temperature and humidity changes on a monthly time scale and regional spatial scale. These changes, combined with hourly historical meteorological data at a spatial scale (12 km) much finer than that of GCMs, enable us to create future climate realizations, from which we compute the daily heat stress measures and related spatially-specific climatological fields. These include the mean annual number of days above certain thresholds of maximum and minimum air temperatures, heat indices and a new heat stress variable that gives an integrated measure of heat stress (and relief) over the course of a day. Comparisons are made between projected (2040 and 2090) and past (1990) heat stress statistics. All output is being provided at the 12 km spatial scale and will also be aggregated to the county level, which is a popular scale of analysis for public health researchers. County-level statistics will be made available by our collaborators at the Centers for Disease Control and Prevention (CDC) via the Wide-ranging Online Data for Epidemiologic Research (WONDER) system. CDC WONDER makes the information resources of the CDC available to public health professionals and the general public. This addition of heat stress measures to CDC WONDER will allow decision and policy makers to assess the impact of alternative approaches to optimize the public health response to EHEs. It will also allow public health researchers and policy makers to better include such heat stress measures in the context of national health data available in the CDC WONDER system. The users will be able to spatially and temporally query public health and heat-related data sets and create county-level maps and statistical charts of such data across the coterminous U.S.

Crosson, William L↗
NASA NTRS2016

NASA Earth Observing System Data and Information System (EOSDIS): A U.S. Network of Data Centers Serving Earth Science Data: A Network Member of ICSU WDS

NASA's Earth Observing System Data and Information System (EOSDIS) has been in operation since August 1994, and serving a diverse user community around the world with Earth science data from satellites, aircraft, field campaigns and research investigations. The ESDIS Project, responsible for EOSDIS is a Network Member of the International Council for Sciences (ICSU) World Data System (WDS). Nine of the 12 Distributed Active Archive Centers (DAACs), which are part of EOSDIS, are Regular Members of the ICSUWDS. This poster presents the EOSDIS mission objectives, key characteristics of the DAACs that make them world class Earth science data centers, successes, challenges and best practices of EOSDIS focusing on the years 2014-2016, and illustrates some highlights of accomplishments of EOSDIS. The highlights include: high customer satisfaction, growing archive and distribution volumes, exponential growth in number of products distributed to users around the world, unified metadata model and common metadata repository, flexibility provided to uses by supporting data transformations to suit their applications, near-real-time capabilities to support various operational and research applications, and full resolution image browse capabilities to help users select data of interest. The poster also illustrates how the ESDIS Project is actively involved in several US and international data system organizations.

Earth Science↗
NASA NTRSDate not supplied

Accounting for Point Estimate Uncertainty in Space Systems Reliability and Risk Analysis

Understanding and accounting for uncertainty in risk analysis is a critical step in the management and communication of risk in engineered systems. The component and system-level analysis to determine the probability of a negative outcome and its consequence is often quantified by a point estimate. Many Program and Enterprise decisions involving technical concerns and issues rely on reliability engineering activities to produce quantified risk analysis to inform the decision making process. At NASA, it is common to use a Probabilistic Risk Analysis (PRA) to inform the overall risk to Loss of Mission or Loss of Crew that involves integration across all spacecraft subsystem fault trees to produce an overall probability of mission failure. The point estimate is an estimate of this overall probability and is an immediate result of a fault tree model. It is the result of a model where the probability of each event is taken to be equal to its mean. The value provides an approximation of the overall mean without running any uncertainty calculations (e.g., no sampling). Using only the point estimate can lead to a false sense of precision and the point estimate may not match the resulting mean when uncertainty is taken into consideration. This paper will explore five conditions that can cause the PRA model mean to diverge from the point estimate and will provide engineers and managers insight into the importance of understanding uncertainty in the elements of PRA models.

Paul J Collier↗
DOE OSTI2023

Leak Detection and Sensor Importance Within a Solvent Extraction Process Abstract

In anticipation of the Special Nuclear Material test bed (Beartooth), Idaho National Laboratory has developed a smaller, multi-sensor system for analyzing the solvent extraction process. These systems will allow for research into nuclear fuel processing operations. The multi-sensor system consists of a row of centrifugal contactors and allows for measurement sources that are not traditionally used in the solvent extraction process to be explored including temperature, vibration, acoustics, pH, color, flow, and motor current. Currently, the solvent extraction process is very labor intensive and requires vigilant operators to identify the occurrence of leaks, which can be common during startup or after any change to the system. This study aims to locate leaks using non-traditional measurement sources then to identify which signals were of greatest importance in making this classification using Local Interpretable Model-agnostic Explanations. These results can be used to help solvent extraction process operators detect leaks and to inform future test beds designers to which sensors contain relevant, actionable information in this scenario.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Sensor selection and tool wear prediction with data‐driven models for precision machining

Abstract Estimation of tool wear in precision machining is vital in the traditional subtractive machining industry to reduce processing cost, improve manufacturing efficiency and product quality. In this vein, fusion of time and frequency‐domain features of commonly sensed signals can provide an early indication of tool wear and improve its prediction accuracy for prognostics and health management. This paper presents a data‐driven methodology and a complete tool chain for the inference of precision machining tool wear from fused machine measurements, such as cutting force, power, audio and vibration signals, and quantify the usefulness of each measurement. Indicators of tool wear are extracted from time‐domain signal statistics, frequency‐domain analysis, and time‐frequency domain analysis. Correlation coefficients between the extracted features (indicators) and the tool wear are used to select the most informative features. Principal Component Analysis and Partial Least‐Squares are used to reduce the dimensionality of the feature space. Regression models, including linear regression, support vector regression, Decision tree regression, neural network regression and Gaussian process regression, are used to predict the tool wear using data from a Haas milling machine performing spiral boss face milling. The performance of the regression models based on subsets of sensors validates the preliminary estimates about the saliency of the sensors. The experimental results show that the proposed methods can predict the machine tool wear precisely, with readily available sensor measurements. Neural network and Gaussian process regression were able to achieve good estimates of tool wear at different machine operating conditions. The most informative signal in predicting tool wear was shown to be the vibration signal. Time‐frequency domain features were the most informative features among the combination of features of three domains. In addition, using partial least squares components extracted from the original features of signals led to higher prediction accuracy.

Han, Seulki↗
DOE OSTI2023

Geospatial Information, Metadata, and Maps for Global River Corridor Science Focus Area Sites (v5)

This dataset provides geospatial information, metadata, and maps for the Pacific Northwest National Laboratory (PNNL) River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) sites. The RC-SFA works to transform understanding of spatial and temporal dynamics in river corridor hydrobiogeochemical functions from molecular reaction to watershed and basin scales. The knowledge we gain is used to formulate and test hypotheses and to improve mechanistic representation of river corridor processes and their response to disturbances in multiscale models of integrated hydrobiogeochemical function. The data provided includes Site ID, latitude, longitude, stream name, and common ID (COMID) for sites used across the RC-SFA. The COMID can be used to find and download data from NHDPlus (https://www.epa.gov/waterdata/nhdplus-national-hydrography-dataset-plus) and other platforms. The sites included are non-exhaustive. Sites (including past sites) will be added to this data package in the future. Data generated from the RC SFA can be accessed at https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA. This data package was originally published in April 2023. It was updated in June 2023 (v2; modified files), December 2023 (v3; modified files), January 2025 (v4; modified files), and December 2025 (v5; modified files). See the change history section in the readme for more details. This dataset is comprised of one main data folder. The data folder consists of (1) file-level metadata; (2) data dictionary; (3) readme; (4) methods codes; (5) geospatial information for all RC SFA sites including International Generic Sample Number (IGSN); (6) maps of all sites and sites in Washington State, USA; and (7) a subfolder with the shapefile of all sites. All files are .csv, .pdf, .shp, .cpg, .dbf, .prj, .qmd, or .shx. We thank the Confederated Tribes and Bands of the Yakama Nation for access to field locations where some data were collected in Washington state. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2001

Mapping Rice Production in China with AVHRR Imagery

The study of rice agriculture is necessary for both the importance of rice as a vital food source and because of the fact that cultivating it has an unfortunate byproduct, namely methane gas. As a food source, rice is a staple for a large majority of the world's population, especially in Asia. Because the populations of many Asian nations are increasing at rapid rates, the production of rice will need to similarly increase. In 1989, it was estimated that the demand for rice would increase by 65% by the year 2019. Rice crops are considered to be one of the primary anthropogenic sources of methane gas. A reason for concern is that this gas is a so-called "greenhouse" trace gas and given its increasing levels in the atmosphere, is thought to contribute to the suspected global warming phenomenon. Some estimate that methane may contribute up to 20% to the global warming effect. Trace gas emissions from anthropogenic sources is an issue that generates great worldwide interest because of the fact that mankind is very likely affecting the current and future climate in potentially negative ways. In an effort to better understand these effects, scientists and engineers are conducting research on all of the varied fronts which relate to climate change and biosphere/atmosphere interactions. The study of global warming through increasing concentrations of greenhouse gases is one area which has received much media and scientific attention. Research fueled by debates on this topic is being conducted on numerous, interrelated fronts in an effort to better understand the complex relationship between human activities and the earth's climate. The research ranges from attempting to verify if the observed data even supports the existence of an anthropogenically generated global-warming phenomenon, to identification of sources and sinks of the trace gases, to measuring the source strengths, to studies which focus on modeling the processes which generate the gases, and finally, to trying to project their impact on the global climatic system. Some of the more commonly known sources of greenhouse gases are related to industry and transportation. Carbon dioxide, CO2, from automobile emissions is one such example. Lesser known are sources from natural and cultivated vegetation, such as the methane, CH4, resulting from rice cropping. While the concentration of atmospheric methane is significantly less than that of carbon dioxide, CH4 has been estimated to have up to 32 times the insulating capability of carbon dioxide, making it an important gas to monitor. The remainder of this chapter will provide some additional background information on the effects of atmospheric methane, and the role that rice agriculture plays as a source in the methane budget. This will be followed by a brief description of efforts to model this source of atmospheric methane. Finally, this chapter will end with a statement of the hypotheses of this thesis, at which time a description of the information contained in the rest of this document will be provided.

Paliouras, Eleni J.↗
NASA NTRSDate not supplied

A Knowledge Graph Framework for Organizing Heterogeneous Datasets for Utilization in Classical and Quantum Computing: Current Challenges and Future Directions

"The escalating impact of climate change induced extreme weather events in urban, suburban, and rural environments demands a rethink of how we have been using the single event-based or use-case-based knowledge graph models. The lack of representation in interaction within environmental variables found in literature led to the development of a novel framework that reflects the true nature of the interconnectedness in our environment. We propose an Environmental Interaction Knowledge Graph (EIKG) framework. This general EIKG framework works as the basis for interconnected environmental events by knitting interrelated events such as hurricanes leading to storm surges, which lead to flood events that could cause mudslides, landslides, etc., The cascading nature of one event leading to another related event in the environment requires an adequate understanding of each event using contextual information before conducting any data-driven analytics. This vision paper showcases how the EIKG:floods, EIKG:wildfire EIKG:landslides, etc, can be derived from a base case framework of EIKG as those individual events are interconnected with some common denominator variables. As an example, the precipitation variable is used in the flood case study as well as in the wildfire case study, as excessive precipitation levels lead to floods, and lack of precipitation leads to droughts and wildfires. We identify the precipitation variable as a “common-denominator-variable” in extreme weather events that play a key role in modeling the environment leading to different extreme weather events based on the variability of that variable (varying values where low precipitation leads to drought, and high values lead to floods). We use the insights gained from EIKG to conduct classical and Quantum Machine Learning (QML) based data analysis on the research questions developed. Our preliminary study shows how the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC) are used along with the classical machine learning models to compare the model accuracies. Our study elaborates on how a quantitative analysis uses state-of-the-art machine learning techniques that include implementing both classical and quantum machine learning models and developing the knowledge graph. The EIKG is used to organize heterogeneous datasets and integrate the relations to case-specific extreme weather events such as floods. The study uses datasets such as county-to-country residential mobility data, socioeconomic datasets from the US Census Bureau, climate and weather-related Earth Observational data from NASA, and critical infrastructure data from the Homeland Infrastructure datasets."

Knowledge Graphs, Quantum Computing, Heterogenous ↗
DOE OSTI2023

Modular machine learning-based elastoplasticity: Generalization in the context of limited data

The development of highly accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions and from the viewpoint of data availability, verification, and validation. Recently, data-driven modeling approaches have been proposed that aim to establish stress-evolution laws that avoid user-chosen functional forms by relying on machine learning representations and algorithms. However, these approaches not only require a significant amount of data but also need data that probes the full stress space with a variety of complex loading paths. Furthermore, they rarely enforce all necessary thermodynamic principles as hard constraints. Hence, they are in particular not suitable for low-data or limited-data regimes, where the first arises from the cost of obtaining the data and the latter from the experimental limitations of obtaining labeled data, which is commonly the case in engineering applications. In this work, we discuss a hybrid framework that can work on a variable amount of data by relying on the modularity of the elastoplasticity formulation where each component of the model can be chosen to be either a classical phenomenological or a data-driven model depending on the amount of available information and the complexity of the response. The method is tested on synthetic uniaxial data coming from simulations as well as cyclic experimental data for structural materials. The discovered material models are found to not only interpolate well but also allow for accurate extrapolation in a thermodynamically consistent manner far outside the domain of the training data. This ability to extrapolate from limited data was the main reason for the early and continued success of phenomenological models and the main shortcoming in machine learning-enabled constitutive modeling approaches. Training aspects and details of the implementation of these models into Finite Element simulations are discussed and analyzed.

42 ENGINEERING↗
DOE OSTI2025

Model form and sensitivity analysis of CALPHAD-based nucleation models in b-stabilized Ti alloys

Accurate prediction of α-phase nucleation and growth in β-stabilized titanium alloys is crucial for designing heat treatments to optimize mechanical properties in additively manufactured lightweight components. Ideally, predictions of nucleation and growth would incorporate both top-down observations of past experimental heat treatments and bottom-up modeling of phase transformations; however, the appropriate method of combining these information sources is not self-evident. Combining top-down and bottom-up information requires a unified form of model that can connect between spatiotemporal scales, as well as sets of fitting parameters that can be identified by each data source. The selection of which parameters to fit to which data source can be made based on expert opinion, or by performing a sensitivity analysis. In solid-solid nucleation, direct observation of the nucleation and growth process is challenging. Most data on the heat treatment-controlled phase transformations are not in-situ. To predict the process and outcome of the nucleation, growth and coarsening of precipitates, theoretical models of the nucleation pathway are used to bridge the gap. Many sources of uncertainty affect the modeling of this nucleation process. It can be influenced by small variations in the thermomechanical processing history, chemical composition, and initial microstructure. If molecular dynamics (MD) simulations are used to determine thermodynamic quantities and inform CALPHAD modeling, additional uncertainty can be introduced and accounted for using Bayesian methods. Top-down uncertainties require additional steps to quantify. The influence of nucleation model form on the sensitivity of predictions to input parameters and physical conditions is the focus of this study. Classical nucleation theory (CNT) allows modeling to formulate the nucleation as homogeneous or, more commonly, heterogeneous. Non-classical nucleation models are also increasingly explored as a means of reconciling top-down and bottom-up data. In this study, the sensitivity of the intragranular nucleation of α in a β-annealed, slow-cooled aging (BASCA) heat treatment of β-stabilized Ti5553 alloy is explored using CNT and both heterogeneous and homogeneous assumptions. The Kampmann-Wagner Numerical model of precipitate nucleation and growth is employed. Using open-source tools (pyCalphad and thermodynamic modeling of TiMo as a surrogate system, a sensitivity analysis is performed to measure variations in key parameters, including chemical driving force, interfacial energy, and diffusivity, as they relate to predictions of precipitate number density. The inclusion of top-down and bottom-up data in selection of nucleation model form is discussed.

Rodriguez Negron, A. M.↗