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At least 19 records

A Combined Computational, Experimental, and Technology Development Approach to In-Space Laser Manufacturing Maturation at NASA Marshall Space Flight Center

In-space manufacturing (ISM) is emerging as a field vital to continued access and capabilities in the space environment. NASA Marshall Space Flight Center (MSFC) is advancing the frontier of in-space laser manufacturing (ISLM) techniques through work initially focused on maturing laser beam welding (LBW) and laser forming (LF) for use in space. Such techniques proffer the ability to assemble and join structures in space from sheet metal or other stock – extant satellites, in situ resource utilization of Lunar regolith, etc. – by forming to desired shapes and then joining via in-space welding (ISW). ISLM processes are useful for assembly, joining, modification, and repair of structures in free space and on the Lunar surface such as large observatories, antennas, trusses, blast/thermal/radiation shields, pressure vessels, and more. However, these techniques are not yet qualified & certified (Q&C) for regular application in space. It would be prohibitively expensive, laborious, and time-consuming to perform Q&C via traditional experimental approaches as data collection & experimentation in space is resource-intensive. As such, benchmark experiments and focused, properly instrumented technology demonstration efforts in space can collect sufficient data that – when combined with verified computational models in an integrated computational materials engineering (ICME) approach – can validate ICME tools capable of translating more readily obtained ground data to in-space, in situ, computationally informed Q&C of ISLM techniques. Several ISLM projects at MSFC are obtaining the data required to validate ICME tools through both ground and flight experiments. A parabolic flight experiment of LBW under vacuum is manifested for August 2024, including both microgravity and Lunar gravity profiles. This collaboration with the Ohio State University is investigating common aerospace alloys such as 316L stainless steel, 2219 aluminum alloy, and Ti64 titanium alloy. In situ data collection includes videography, thermography, and reference thermocouples to build a thermal model of the welds. This will elucidate the relevant physics when combined with post-flight microstructural examination and mechanical testing. MSFC is also progressing towards a suborbital flight experiment of LBW under vacuum, which could provide reams of data on ISW during sustained, high-quality reduced gravity. The effect of combined thermal (cryogenic and high-temperature) and vacuum exposure on both LBW (NASA-funded) and LF (DARPA-funded) is being investigated through ground experiments. In addition to the copious data collected during these ground experiments, ruggedization of LBW hardware will also be pursued. The datasets from these experiments will be used to validate computational models which will inform future ISLM efforts in an ICME framework. A variety of techniques across lengths scales, from CALPHAD-driven thermodynamics & kinetics to phase field modeling of solidification to kinetic Monte Carlo simulations of grain evolution at the mesoscale, will be employed to accelerate the infusion and eventual Q&C of LBW and LF for use in space. The development of data-driven surrogate models to bridge ground to flight experiments and thereby reduce the need for resource-intensive experiments in space will also be investigated. These ICME techniques, surrogate models, and datasets from ground testing can also be employed to advance manufacturing in terrestrial environments.

in-space welding↗

Benchmark Problem Development for Testing Maturity of Intelligent Contingency Management Tools

Increasingly autonomous Advanced Air Mobility (AAM) vehicles will be required to handle diverse conditions with limited human intervention. Intelligent contingency management (iCM) approaches are under development to address how automated agents can handle unforeseen, unplanned, and unanticipated events. Benchmark scenario is needed to test the maturity of the developed iCM tools and techniques.

Jon Holbrook↗

Maturation of In-space Welding in Reduced Gravity and Reduced Pressure Environments Through Progression to Suborbital Flight Experiments

Development of in-space welding (ISW) is a key and enabling manufacturing technology as welding is currently involved in producing approximately 90% of durable goods, and this trend is expected to hold for in-space manufacturing as well. ISW is critical to a sustainable space economy. To mature in-space welding, numerous gaps must be closed since NASA has not made a weld in space in 50 years. Advancing laser beam welding (LBW) towards a suborbital flight demonstration will help mature the process for in-space assembly & manufacturing (ISAM) through demonstration in relevant environments and achieving technology readiness milestones. LBW technologies and science improved by this work will benefit in-space manufacturing, long-term sustainability of space structures & operations, and the overall space economy. Ground-based welding of aerospace hardware requires an Edisonian approach to qualify a welding process; however, this approach is infeasible for ISW qualification due to mass, volume, logistic, and cost challenges inherent to the space environment. To address this challenge, we are conducting ground and suborbital tests with partners performing parabolic flights to gather data on LBW processes and infuse them into NASA & partner missions. This progression from ground to flight experiments will elucidate relevant physics during LBW: 1) reduced gravity, 2) reduced pressure, and 3) extreme temperature. Data from post-flight evaluation and in situ instrumentation will feed integrated computational materials engineering (ICME) tools to reduce the burden of ISW infusion by establishing a link between space and terrestrial environments, ultimately accelerating the qualification of LBW in space.

in-space welding↗

Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to establish workflow for and demonstrate a unique set of web application tools for linking NASA GRC's Integrated Computational Materials Engineering (ICME) Granta MI database schema and NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset are presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.

Materials Engineering↗

Integration of Information Management System, Workflow and Computational Tools Enabling Multiscale Modeling Within an ICME Paradigm

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to develop a set of Python functions that exchange information between NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset and its Integrated Computational Materials Engineering (ICME), Granta MI® database schema is presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.

multiscale modeling; Micromechanics; Computational↗

Intelligent Contingency Management for Urban Air Mobility

The third aviation revolution is seeking to enable transportation where users have access to immediate and flexible air travel; the users dictate trip origin, destination and timing. One of the major components of this vision is urban air mobility (UAM) for the masses. UAM means a safe and efficient system for vehicles to move passengers and cargo within a city. In order to reach UAM’s full market potential the vehicle will have to be autonomous. One of the primary challenges of autonomous flight is dealing with off-nominal events, both common and unforeseen; thus, intelligent contingency management (ICM) is one of the enabling technologies. This paper proposes an ICM architecture with associated tools that would help enable the UAM vision.

UAM↗

Intelligent Contingency Management for Urban Air Mobility

The third aviation revolution is seeking to enable transportation where users have access to immediate and flexible air travel; the users dictate trip origin, destination and timing. One of the major components of this vision is urban air mobility (UAM) for the masses. UAM means a safe and efficient system for vehicles to move passengers and cargo within a city. In order to reach UAM’s full market potential the vehicle will have to be autonomous. One of the primary challenges of autonomous flight is dealing with off-nominal events, both common and unforeseen; thus, intelligent contingency management (ICM) is one of the enabling technologies. This paper proposes an ICM architecture with associated tools that would help enable the UAM vision.

UAM;↗

NASA GRC ICME Schema for Materials Data Management: An Executive Summary

Integrated Computational Materials Engineering (ICME) has received a growing emphasis in attention due its potential impact on rapid material design, reduction in cost and time to market for new applications, and the promise of ‘fit-for-purpose’ materials coupled with recent advances in high performance computing and material characterization tools. However, for an organization to implement ICME practices for material discovery and design, a series of both technical and cultural challenges must be overcome to foster an environment that enables efficient, traceable, and predictive multiscale simulations of material behavior to enable virtual design of materials. In 2016, NASA sponsored a 2040 Vision study to define the potential 25-year future state required for integrated multiscale modeling of materials and systems to improve both the associated time and cost for aerospace and aeronautical innovation. The study envisions a cyber-physical-social ecosystem of experimentally validated computational models, tools, and techniques, along with the associated digital tapestry, that can enable rapid, optimized, ‘fit-for-purpose’ design of materials, components, and systems. A key requirement for such an ecosystem is the development of a robust information management system for materials across their full lifecycle, including material pedigree, experimental (real) and virtual (simulation) data, developed material models, and the implementation of models in engineering applications, such that process-structure-property-performance relationships can be established, thereby enabling the virtual design and optimization of materials. Such an information management system must be able to effectively capture: i) material information at each length scale; ii) test data and analysis; iii) associated material models; and iv) material and model deployment in engineering applications. These systems must also provide traceability between experimental and virtual representations of the material to ensure, when appropriate, the material digital twin is maintained. Additionally, this robust material information management system must be able to seamlessly connect with both commercial and an organization’s in-house software tools, be they analysis tools, other material databases, product lifecycle management (PLM) or simulation data management (SDM) tools, etc., such that automation of the design and analysis of a material across multiple length scales is possible. In this paper, an executive summary of the NASA GRC ICME Schema for materials information management is presented. The database best practices and schema design philosophy specifically for ICME materials data management and an overview description of each element in the schema is given, along with its associated role in an ICME workflow. Additionally, auxiliary tools that interact with the database and provide judicious automation with regards to importing, exporting, and analyzing materials data are presented. Such tools are critical to an ICME ecosystem, not only for their role in enabling optimization, but also in relieving users of tedious manual tasks, thus helping to promote adoption and combat the cultural challenges organizations face in enabling ICME.

Materials↗

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗

An Integrated Recursive Framework for Arbitrarily Multiscale and Multi-fidelity Modeling

The NASA Multiscale Analysis Tool (NAMSAT) serves as a state-of-the-art, “plug and play,” massively multiscale modeling (M3) platform for hierarchical materials and structures. The development of NASMAT has focused on modularity, upgradability and maintainability, interoperability, and utility. Application Program Interfaces (APIs) have been developed to facilitate the integration NASMAT into other programs (commercial, research, and user-defined) as well as the integration of other codes into NASMAT. NASMAT is an integrated, recursive platform that seamlessly allows for an arbitrary number of scales, and a variety of modeling fidelity, in a single, non-linear analysis. Thus, the macroscopic response of a material can be directly linked to the behavior of the microstructure(s), including subscale defects, making it a suitable tool for integrated computational materials engineering (ICME) because . Examples using NASMAT for simulation of polycrystalline metals at elevated temperatures will be presented.

Multiscale Modeling↗

Robust Informatics Infrastructure Required For ICME: Combining Virtual and Experimental Data

With the increased emphasis on reducing the cost and time to market of new materials, the need for robust automated materials information management system(s) enabling sophisticated data mining tools is increasing, as evidenced by the emphasis on Integrated Computational Materials Engineering (ICME) and the recent establishment of the Materials Genome Initiative (MGI). This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Further, the use of increasingly sophisticated nonlinear, anisotropic and or multi-scale models requires both the processing of large volumes of test data and complex materials data necessary to establish processing-microstructure-property-performance relationships. Fortunately, material information management systems have kept pace with the growing user demands and evolved to enable: (i) the capture of both point wise data and full spectra of raw data curves, (ii) data management functions such as access, version, and quality controls;(iii) a wide range of data import, export and analysis capabilities; (iv) data pedigree traceability mechanisms; (v) data searching, reporting and viewing tools; and (vi) access to the information via a wide range of interfaces. This paper discusses key principles for the development of a robust materials information management system to enable the connections at various length scales to be made between experimental data and corresponding multiscale modeling toolsets to enable ICME. In particular, NASA Glenn's efforts towards establishing such a database for capturing constitutive modeling behavior for both monolithic and composites materials

Mutli-scale models↗

Managing the Digital Thread for Structural Applications With Fit for Purpose Materials

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Consequently, at NASA Glenn Research Center a robust information management system that manages the digital thread across the full material life (i.e., capture, analysis, maintenance, and dissemination of data) cycle directed at the design of ‘fit-for-purpose materials’ is under development. To this end the Application Table has been incorporated within NASA Glenn Research Center’s ICME Information Management framework within the ANSYS Granta MI tool. The Application Table provides a place where material and structural application information/requirements can be linked to marry the “design-the-material” (structural engineering) and the “design-with-material” (material science) paradigms and thereby enable application-driven design and optimization of materials and structures. In additional several associated toolsets, specifically: AIMAOS (Automated Information Management Across Organizations and Scales), Py MILab, and JARIMIS (Just A Rather Intelligent Material Interrogation System) are also under development to assist in the judicious automation of this process. AIMOAS offers users an interactive graphical user interface for connecting material information management systems with both commercial and in-house simulation tools at various length scales to enable such automation in the handoff across scales and maintenance of material digital twins and the digital thread. Py MILab, is an automatic framework for the capture, analysis, maintenance, and storage of material test data. Py MILab uses a modular approach for capturing raw data, analyzing the data, and storing the data in a database, interfaced by neutral file structures, to promote plug-and-play capabilities for various analysis types. Finally, JARIMIS is an expert system that integrates various materials informatics tools (e.g., MicroNet, Surrogate ML models, ANSYS Granta MI, etc.) to enable inverse design of materials and facilitate the application of machine learning (ML) and data science with human in the loop decision making to rapidly discover and optimize new materials.

Digital Transformation↗

ICME Structure and Evolution in the Inner Heliosphere

Interplanetary Coronal Mass Ejections (ICMEs) have been studied for decades using various methods and observational tools; however, their internal structure, transport and evolution in the inner heliosphere remains poorly understood. Similarly, the transport and diffusion of solar energetic particles on their way to 1 AU is surrounded by controversy. This white paper outlines possible next research objectives and a possible multi-spacecraft mission concept (HELIIX) that would provide the measurements to achieve these objectives.

Adam Szabo↗

Capturing, Analyzing, Maintaining, and Disseminating Shape Memory Material Data Between Information Management Systems

With an increased demand on reducing the time, cost, and effort to develop new materials, Integrated Computational Materials Engineering (ICME) has received widespread attention in various engineering disciplines as a catalyst for significantly reducing experimental testing during the material design process. An ICME approach to design can enable ‘fit-for-purpose’ materials to be realized in engineering applications by incorporating well-understood process-property-performance relationships between the various length and time scales in a material’s structure, enabling material optimization. However, such an approach requires validated multiscale models at the various length scales for a material, which in turn requires a large amount of data, a robust means of storing the data, and the ability to link data to developed material models. The NASA Vision 2040 [1] has identified nine key elements to enabling ICME approaches in system level design, with one being “Data, Information, and Visualization”, thus outlining the importance of a robust information management system for ICME. As the relationship between microstructure, properties, and material performance become better understood and incorporated into multiscale models that can be leveraged in application design, the emergence of new materials with application-driven properties can be realized. One such new material class that has seen growing attention are shape memory materials (SMM), in which a material can transition between a deformed and undeformed state via a reversible phase transformation when subject to a thermal, mechanical, or magnetic load [2]. SMMs have been used widely in aerospace and biomedical industries, including applications such as actuators, low-shock mechanisms, medical staples, braces, and stents [3, 4]. These materials exhibit unique behavior due to their ability to transition between phases, and thus the mechanisms that enable this transition must be captured in a data information management system and incorporated into SMM material models. At NASA Glenn Research Center, the Shape Memory Materials Database (SMMD) Tool has been developed to capture the necessary information that governs SMM material behavior and provide users the ability to select and visualize various SMMs for a specific application [5]. The database contains point-wise data for published SMM materials, along with the pedigree metadata for traceability necessary for a robust information management system. The database is also capable of storing in-house test data performed at NASA GRC by interacting with the developed Shape Memory Alloy (SMA) Analytics tool to extract the necessary point-wise values and populate the database. Although the SMMD Tool offers its users a single, authoritative source for SMM material data that is critical for model development and material design, the full material pedigree of the in-house test data for SMMs is not currently captured and is out of the scope for the SMMD tool. In this work, the schema for capturing SMM test data within the larger NASA GRC ICME Schema [6, 7, 8, 9] will be developed and implemented for thermomechanical tests conducted at NASA GRC. The developed schema will not only store the relevant data needed for the SMMD tool, but also the material pedigree (i.e., production of the bulk material, bulk material analysis, sample cut-out diagrams, sample fabrication procedure, etc.), test pedigree (i.e., test equipment used, measurement systems used, raw test data), and analysis pedigree (i.e., how the data in the SMMD tool is calculated). Furthermore, a Python-based framework will be developed to seamlessly interact between the SMA Analytics and SMMD tools, which will write the full dataset and associated metadata to the GRC Information Management System before passing the required point-wise data to the SMMD tool. Data informatics is a key element of the NASA Vision 2040, which requires not only that data is stored and maintained throughout the material lifecycle, but that the data is also accessible and reusable such that material development efforts can be minimized. Therefore, for an ICME design approach to be realized, a centralized information management system that drives the ICME process must be able to communicate with other databases. The work that will be presented in this presentation will therefore not only demonstrate the ability of NASA GRC’s information management system to capture SMM data, but also its ability to interact with pre-existing tools specialized for such materials.

Data management↗

Geometric differences of the mitral apparatus between ischemic and dilated cardiomyopathy with significant mitral regurgitation: real-time three-dimensional echocardiography study

BACKGROUND: This study was conducted to elucidate the geometric differences of the mitral apparatus in patients with significant mitral regurgitation caused by ischemic cardiomyopathy (ICM-MR) and by idiopathic dilated cardiomyopathy (DCM-MR) by use of real-time 3D echocardiography (RT3DE). METHODS AND RESULTS: Twenty-six patients with ICM-MR caused by posterior infarction, 18 patients with DCM-MR, and 8 control subjects were studied. With the 3D software, commissure-commissure plane and 3 perpendicular anteroposterior (AP) planes were generated for imaging the medial, central, and lateral sides of the mitral valve (MV) during mid systole. In 3 AP planes, the angles between the annular plane and each leaflet (anterior, Aalpha; posterior, Palpha) were measured. In ICM-MR, Aalpha measured in the medial and central planes was significantly larger than that in the lateral plane (39+/-5 degrees, 34+/-6 degrees, and 27+/-5 degrees, respectively; P<0.01), whereas Palpha showed no significant difference in any of the 3 AP planes (61+/-7 degrees, 57+/-7 degrees, and 56+/-7 degrees, P>0.05). In DCM-MR, both Aalpha (38+/-8 degrees, 37+/-9 degrees, and 36+/-7 degrees, P>0.05) and Palpha (59+/-6 degrees, 58+/-5 degrees, and 57+/-6 degrees, P>0.05) revealed no significant differences in the 3 planes. CONCLUSIONS: The pattern of MV deformation from the medial to the lateral side was asymmetrical in ICM-MR, whereas it was symmetrical in DCM-MR. RT3DE is a helpful tool for differentiating the geometry of the mitral apparatus between these 2 different types of functional mitral regurgitation.

Evaluation Studies↗

Materials Informatics at NASA GRC: Machine Learning Surrogate Modeling, Data Management, and Integrated Toolsets for Establishing/Maintaining the Digital Thread

Integrated Computational Materials Engineering (ICME) has recently received widespread attention due to its promises in reducing dependence on physical testing for engineering design by relying on simulation, reducing both time and cost to market for various applications. ICME however requires validated multiscale material models, which heavily depend on available test data with full material and test pedigree, including material processing, test and measurement equipment, raw data collection, and analysis methodology and results that is findable and usable, along with integrated, efficient toolsets for effectively passing information across various length and time scales across such models. At the NASA Glenn Research Center under the Transformational Tools and Technologies Project, significant recent efforts have been directed towards establishing the required cyberinfrastructure to enable optimized ICME processes and the design of “fit-for-purpose” materials to achieve the goals outlined in the NASA Vision 2040 report. Such efforts include development of multiscale physics-based material models, which can be used to train highly efficient surrogate machine learning models, development of best practices and infrastructure for effective, traceable materials information management, and development of toolsets that integrate with physics-based codes, machine learning models, and an information management system to enable high throughput of materials data collection and analysis, establishment of digital twins and the digital thread, and automation of the ICME design process for material optimization.

Machine Learning↗

A Robust Machine Learning Schema for Developing, Maintaining, and Disseminating Machine Learning Models

Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of ML models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based modeling of material behavior at various length scales and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using ML techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus, effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train ML models and the defining model parameters and architectures within the Granta MI Platform. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in the prediction of material behavior, while following outlined best practices for effective data management. An effective schema for ML data and models can help prevent the recreation of virtual/real training data and surrogate models, help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.

Brandon L. Hearley↗

Predicting Fiber Failure of Plain Weave Fabric with Recursive Multiscale Micromechanics

Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of machine learning models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based, modeling of material behavior at various length scales, and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using machine learning (ML) techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train machine learning models and the defining model parameters and architectures. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in for various types of machine learning models while following outlined best practices for effective data management. An effective schema for machine learning data and models can help prevent the recreation of virtual/real training data and surrogate models, can help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.

Failure↗