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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

RAVEN, a New Software for Dynamic Risk Analysis

RAVEN is a generic software driver to perform parametric and probabilistic analysis of code simulating complex systems. Initially developed to provide dynamic risk analysis capabilities to the RELAP-7 code [1] is currently being generalized with the addition of Application Programming Interfaces (APIs). These interfaces are used to extend RAVEN capabilities to any software as long as all the parameters that need to be perturbed are accessible by inputs files or directly via python interfaces. RAVEN is capable to investigate the system response probing the input space using Monte Carlo, grid strategies, or Latin Hyper Cube schemes, but its strength is its focus toward system feature discovery like limit surfaces separating regions of the input space leading to system failure using dynamic supervised learning techniques. The paper will present an overview of the software capabilities and their implementation schemes followed by same application examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Demand Response Resource Quantification with Detailed Building Energy Models

Demand response is a broad suite of technologies that enables changes in electrical load operations in support of power system reliability and efficiency. Although demand response is not a new concept, there is new appetite for comprehensively evaluating its technical potential in the context of renewable energy integration. The complexity of demand response makes this task difficult -- we present new methods for capturing the heterogeneity of potential responses from buildings, their time-varying nature, and metrics such as thermal comfort that help quantify likely acceptability of specific demand response actions. Computed with an automated software framework, the methods are scalable.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

mystic : software for autonomous discovery and design under uncertainty

Throughout the diverse range of science and engineering applications, there is a growing desire to develop computational methods that can reliably predict the behavior of complex systems. Specifically, there is a strategic need for tools that can robustly forecast the behavior of complex physical systems, where data may be high-dimensional, noisy, or sparse, and models of the system may be time-dependent or include uncertainty. We use mystic to build tools that leverage statistical learning, physics-informed learning, and active learning in the efficient generation of reliably predictive surrogates for complex physical systems. mystic is a robust, proven, open-source optimization and uncertainty quantification toolkit with over a decade of use in the design and optimization of neutron instrumentation, solar-powered drones, and gasguns, and in iterative tuning of models for Raman spectroscopy and elastoplastic materials strength. Recent developments have focused on automated learning of statistically robust surrogates under uncertainty, with applications in materials in extreme environments, nanostructures, materials simulations and strength models, and the failure of shielding under particle radiation. In 2020, McKerns demonstrated active learning of optimally robust surrogates with respect to new simulated data for molecular dynamics simulations of materials mixing in warm dense matter, and is currently applying active learning to the automated steering of particle accelerator beams and the optimal design and control of quantum optical sensor instrumentation.

42 ENGINEERING↗
DOE OSTI2022

An ontology-based fault generation and fault propagation analysis approach for safety-critical computer systems at the design stage

Abstract Fault propagation analysis is a process used to determine the consequences of faults residing in a computer system. A typical computer system consists of diverse components (e.g., electronic and software components), thus, the faults contained in these components tend to possess diverse characteristics. How to describe and model such diverse faults, and further determine fault propagation through different components are challenging problems to be addressed in the fault propagation analysis. This paper proposes an ontology-based approach, which is an integrated method allowing for the generation, injection, and propagation through inference of diverse faults at an early stage of the design of a computer system. The results generated by the proposed framework can verify system robustness and identify safety and reliability risks with limited design level information. In this paper, we propose an ontological framework and its application to analyze an example safety-critical computer system. The analysis result shows that the proposed framework is capable of inferring fault propagation paths through software and hardware components and is effective in predicting the impact of faults.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Power Converter Control Algorithm Design and Simulation for the NREL Next-Generation Drivetrain: July 8, 2013 - January 7, 2016

The National Renewable Energy Laboratory (NREL) and NREL Next-Generation Drivetrain Partners are developing a next-generation drivetrain (NGD) design as part of a Funding Opportunity Announcement award from the U.S. Department of Energy. The proposed NGD includes comprehensive innovations to the gearbox, generator, and power converter that increase the gearbox reliability and drivetrain capacity, while lowering deployment and operation and maintenance costs. A key task within this development effort is the power converter fault control algorithm design and associated computer simulations using an integrated electromechanical model of the drivetrain. The results of this task will be used in generating the embedded control software to be utilized in the power converter during testing of the NGD in the National Wind Technology Center 2.5-MW dynamometer. A list of issues to be addressed with these algorithms was developed by review of the grid interconnection requirements of various North American transmission system operators, and those requirements that presented the greatest impact to the wind turbine drivetrain design were then selected for mitigation via power converter control algorithms.

17 WIND ENERGY↗
DOE OSTI2019

Multi-Physics Simulations of Heat Pipe Micro Reactor

System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report presents the development of new capabilities for modeling the heat pipe type reactor systems. The need for power at remote locations away from a reliable electrical grid is an important niche for nuclear energy. Heat pipe-cooled fast-spectrum nuclear reactors are well suited for these applications. The key feature of the heat pipe reactors is the use of heat pipes for heat removal from the reactor core. The heat pipe makes use of the phase change of the working fluid and transports a large amount of heat from the evaporator to the condensation end with very small temperature drops. In contrast to the traditional nuclear reactor system that makes use of pumped loop for extracting the thermal power, the heat pipe reactors make use of hundreds of heat pipes for removing the thermal power (including the decay heat) passively. This could potentially significantly improve the reliability and safety of the reactor systems. The essential part in the analysis of a heat pipe type reactor is the modeling of heat transport inside the heat pipe. The capability of SAM was extended to enable the modeling of the conventional heat pipe. The full suite of non-LWR codes for confirmatory analysis at NRC is known as the Comprehensive Reactor Analysis Bundle (CRAB). It makes use of existing NRC codes, and integrates them with several codes developed through the DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this report, the heat pipe micro reactor is simulated using three submodules under CRAB. The MAMMOTH module is used to simulate the reactor kinetics behavior of the micro reactor; the SAM module is used to simulate the heat conduction in the reactor core and heat removal through the heat pipe heat exchangers and Reactor Cavity Cooling System (RCCS); and the MOOSE Tensor Mechanics module is used to simulate the thermal expansion of the reactor cores. The different sub-models are coupled together using MOOSE’s MultiApp system and executed using the BlueCrab application. The new capability has been demonstrated by a steady-state operation analysis, a failure of a single central heat pipe transient analysis, and a loss of heat sink transient analysis. The fully coupled model is shown to work well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2013

ISSM: Ice Sheet System Model

In order to have the capability to use satellite data from its own missions to inform future sea-level rise projections, JPL needed a full-fledged ice-sheet/iceshelf flow model, capable of modeling the mass balance of Antarctica and Greenland into the near future. ISSM was developed with such a goal in mind, as a massively parallelized, multi-purpose finite-element framework dedicated to ice-sheet modeling. ISSM features unstructured meshes (Tria in 2D, and Penta in 3D) along with corresponding finite elements for both types of meshes. Each finite element can carry out diagnostic, prognostic, transient, thermal 3D, surface, and bed slope simulations. Anisotropic meshing enables adaptation of meshes to a certain metric, and the 2D Shelfy-Stream, 3D Blatter/Pattyn, and 3D Full-Stokes formulations capture the bulk of the ice-flow physics. These elements can be coupled together, based on the Arlequin method, so that on a large scale model such as Antarctica, each type of finite element is used in the most efficient manner. For each finite element referenced above, ISSM implements an adjoint. This adjoint can be used to carry out model inversions of unknown model parameters, typically ice rheology and basal drag at the ice/bedrock interface, using a metric such as the observed InSAR surface velocity. This data assimilation capability is crucial to allow spinning up of ice flow models using available satellite data. ISSM relies on the PETSc library for its vectors, matrices, and solvers. This allows ISSM to run efficiently on any parallel platform, whether shared or distrib- ISSM: Ice Sheet System Model NASA's Jet Propulsion Laboratory, Pasadena, California uted. It can run on the largest clusters, and is fully scalable. This allows ISSM to tackle models the size of continents. ISSM is embedded into MATLAB and Python, both open scientific platforms. This improves its outreach within the science community. It is entirely written in C/C++, which gives it flexibility in its design, and the power/speed that C/C++ allows. ISSM is svn (subversion) hosted, on a JPL repository, to facilitate its development and maintenance. ISSM can also model propagation of rifts using contact mechanics and mesh splitting, and can interface to the Dakota software. To carry out sensitivity analysis, mesh partitioning algorithms are available, based on the Scotch, Chaco, and Metis partitioners that ensure equal area mesh partitions can be done, which are then usable for sampling and local reliability methods.

Larour, Eric↗
DOE OSTI2024

Prediction of stability constants of metal–ligand complexes by machine learning for the design of ligands with optimal metal ion selectivity

The new LOGKPREDICT program integrates HostDesigner molecular design software with the machine learning (ML) program Chemprop. By supplying HostDesigner with predicted log K values, LOGKPREDICT enhances the computer-aided molecular design process by ranking ligands directly by metal–ligand binding strength. Harnessing reliable experimental data from a historic National Institute of Standards and Technology (NIST) database and data from the International Union of Pure and Applied Chemistry (IUPAC), we train message passing neural net algorithms. The multi-metal NIST-based ML model has a root mean square error (RMSE) of 0.629 ± 0.044 (R 2 of 0.960 ± 0.006), while two versions of lanthanide-only IUPAC-based ML models have, respectively, RMSE of 0.764 ± 0.073 (R 2 of 0.976 ± 0.005) and 0.757 ± 0.071 (R 2 of 0.959 ± 0.007). For relative log K predictions on an out-of-sample set of six ligands, demonstrating metal ion selectivity, the RMSE value reaches a commendably low 0.25. Here we showcase the use of LOGKPREDICT in identifying ligands with high selectivity for lanthanides in aqueous solutions, a finding supported by recent experimental evidence. We also predict new ligands yet to be verified experimentally. Therefore, our ML models implemented through LOGKPREDICT and interfaced with the ligand design software HostDesigner pave the way for designing new ligands with predetermined selectivity for competing metal ions in an aqueous solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Spinoff 2005

Topics covered include: Lighting the Way for Quicker, Safer Healing; Discovering New Drugs on the Cellular Level; Hydrogen Sensors Boost Hybrids; Today s Models Losing Gas?; 3-D Highway in the Sky; Popping a Hole in High-Speed Pursuits; Monitoring Wake Vortices for More Efficient Airports; From Rockets to Racecars; All-Terrain Intelligent Robot Braves Battlefront to Save Lives; Keeping the Air Clean and Safe--An Anthrax Smoke Detector; Lightning Often Strikes Twice; Technology That's Ready and Able to Inspect Those Cables; Secure Networks for First Responders and Special Forces; Space Suit Spins; Cooking Dinner at Home--From the Office; Nanoscale Materials Make for Large-Scale Applications; NASA s Growing Commitment: The Space Garden; Bringing Thunder and Lightning Indoors; Forty-Year-Old Foam Springs Back With New Benefits; Experiments With Small Animals Rarely Go This Well; NASA, the Fisherman's Friend; Crystal-Clear Communication a Sweet-Sounding Success; Inertial Motion-Tracking Technology for Virtual 3-D; Then Why Do They Call Earth the Blue Planet?; Valiant 'Zero-Valent' Effort Restores Contaminated Grounds; Harnessing the Power of the Sun; Water and Air Measures That Make 'PureSense'; Remote Sensing for Farmers and Flood Watching; Pesticide-Free Device a Fatal Attraction for Mosquitoes Making the Most of Waste Energy Washing Away the Worries About Germs Celestial Software Scratches More Than the Surface A Search Engine That's Aware of Your Needs Fault-Detection Tool Has Companies 'Mining' Own Business; Software to Manage the Unmanageable; Tracking Electromagnetic Energy With SQUIDs; Taking the Risk Out of Risk Assessment; Satellite and Ground System Solutions at Your Fingertips; Structural Analysis Made 'NESSUSary'; Software of Seismic Proportions Promotes Enjoyable Learning; Making a Reliable Actuator Faster and More Affordable; Cost-Cutting Powdered Lubricant NASA s Radio Frequency Bolt Monitor: A Lifetime of Spinoffs Going End to End to Deliver High-Speed Data; Advanced Joining Technology: Simple, Strong, and Secure; Big Results From a Smaller Gearbox; Low-Pressure Generator Makes Cleanrooms Cleaner; and The Space Laser Business Model.

Source record↗
DOE OSTI2020

Roadmap on multiscale materials modeling

Modeling and simulation is transforming modern materials science, becoming an important tool for the discovery of new materials and material phenomena, for gaining insight into the processes that govern materials behavior, and, increasingly, for quantitative predictions that can be used as part of a design tool in full partnership with experimental synthesis and characterization. Modeling and simulation is the essential bridge from good science to good engineering, spanning from fundamental understanding of materials behavior to deliberate design of new materials technologies leveraging new properties and processes. This Roadmap presents a broad overview of the extensive impact computational modeling has had in materials science in the past few decades, and offers focused perspectives on where the path forward lies as this rapidly expanding field evolves to meet the challenges of the next few decades. The Roadmap offers perspectives on advances within disciplines as diverse as phase field methods to model mesoscale behavior and molecular dynamics methods to deduce the fundamental atomic-scale dynamical processes governing materials response, to the challenges involved in the interdisciplinary research that tackles complex materials problems where the governing phenomena span different scales of materials behavior requiring multiscale approaches. The shift from understanding fundamental materials behavior to development of quantitative approaches to explain and predict experimental observations requires advances in the methods and practice in simulations for reproducibility and reliability, and interacting with a computational ecosystem that integrates new theory development, innovative applications, and an increasingly integrated software and computational infrastructure that takes advantage of the increasingly powerful computational methods and computing hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evaluation of an in vitro three-dimensional HepaRG spheroid model for genotoxicity testing using the high-throughput CometChip platform

Three-dimensional (3D) culture systems are increasingly being used for genotoxicity studies due to improved cell-to-cell interactions and tissue-like structures that are limited or lacking in 2D cultures. The present study optimized a 3D culture system using metabolically competent HepaRG cells for in vitro genotoxicity testing. 3D HepaRG spheroids, formed in 96- or 384-well ultra-low attachment plates, were exposed to various concentrations of 34 test articles, including 8 direct-acting and 11 indirect-acting genotoxicants/carcinogens as well as 15 compounds that show different genotoxic responses in vitro and in vivo. DNA damage was evaluated using the high-throughput CometChip assay with concurrent cytotoxicity assessment by the ATP assay in both 2D and 3D cultures. 3D HepaRG spheroids maintained a stable phenotype for up to 30 days with higher levels of albumin secretion, cytochrome P450 gene expression, and enzyme activities compared to 2D cultures. 3D spheroids also demonstrated a higher sensitivity than 2D cultures for detecting both direct- and indirect-acting genotoxicants/carcinogens, indicating a better prediction of in vivo genotoxicity responses. When DNA damage dose-response data were quantified using PROAST software, 3D spheroids generally had lower or similar benchmark dose values compared to 2D HepaRG cells and were more comparable with primary human hepatocytes. These results demonstrate that 3D models can be adapted to the CometChip technology for high-throughput genotoxicity testing and that 3D HepaRG spheroids may be used as a reliable and pragmatic in vitro approach to better support the hazard identification and risk assessment of potential human genotoxic carcinogens.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2006

Solar Sails

The Solar Sail Propulsion investment area has been one of the three highest priorities within the In-Space Propulsion Technology (ISPT) Project. In the fall of 2003, the NASA Headquarters' Science Mission Directorate provided funding and direction to mature the technology as far as possible through ground research and development from TRL 3 to 6 in three years. A group of experts from government, industry, and academia convened in Huntsville, Alabama to define technology gaps between what was needed for science missions to the inner solar system and the current state of the art in ultra1ightweight materials and gossamer structure design. This activity set the roadmap for development. The centerpiece of the development would be the ground demonstration of scalable solar sail systems including masts, sails, deployment mechanisms, and attitude control hardware and software. In addition, new materials would be subjected to anticipated space environments to quantify effects and assure mission life. Also, because solar sails are huge structures, and it is not feasible to validate the technology by ground test at full scale, a multi-discipline effort was established to develop highly reliable analytical models to serve as mission assurance evidence in future flight program decision-making. Two separate contractor teams were chosen to develop the SSP System Ground Demonstrator (SGD). After a three month conceptual mission/system design phase, the teams developed a ten meter diameter pathfinder set of hardware and subjected it to thermal vacuum tests to compare analytically predicted structural behavior with measured characteristics. This process developed manufacturing and handling techniques and refined the basic design. In 2005, both contractor teams delivered 20 meter, four quadrant sail systems to the largest thermal vacuum chamber in the world in Plum Brook, Ohio, and repeated the tests. Also demonstrated was the deployment and articulation of attitude control mechanisms. In conjunction with these tests, the stowed sails were subjected to launch vibration and ascent vent tests. Other investments studied radiation effects on the solar sail materials, investigated spacecraft charging issues, developed shape measuring techniques and instruments, produced advanced trajectory modeling capabilities, and identified and resolved gossamer structure dynamics issues. Technology validation flight and application to a He1iophysics science mission is on the horizon.

Young, Roy↗
NASA NTRS2023

Fault Detection and Diagnosis in Spacecraft Electrical Power Systems

The ability to accurately identify and isolate failures in the electrical power system (EPS) is critical to ensure the reliability of spacecraft. This paper proposes a novel solution to the problem of fault detection and diagnosis in direct current (DC) electric power systems for spacecraft. Autonomous operation becomes essential during deep space missions that lack the ability to monitor and control the spacecraft from ground locations. The current state of EPS fault supervision is insufficient to guarantee highly reliable operation. To solve this issue, a combination of model-based and knowledge-based techniques are used in a hierarchical framework to improve the diagnostic performance of the system. Noise, disturbances, and modeling errors are considered in the design of the fault detection system. Practical considerations related to spacecraft flight hardware and software are accounted for in the system design for flight applications. To assess the functionality of the design, a wide array of failures are simulated in a series of experiments. The experiments showed that the technique improved the capability of the autonomous system by increasing the number of fault types diagnosed. The significance of this study is to provide a framework capable of advanced diagnostics of an EPS with little to no interaction from human operators.

Autonomous Power Systems↗
NASA NTRSDate not supplied

Application of a Rapid Design Tool to a 3D Woven Structural Joint

The optimization of composite structural joints is an iterative process and a multiscale problem. High fidelity finite element modeling of joints with 3D woven and laminated materials can become computationally expensive. The aim of this paper is to establish a reliable analysis process for the optimization of a composite Y-joint (curved Pi-joint), to be used in an aircraft fuselage, using commercial rapid joint design, analysis, and optimization software. The rapid joint design tool was investigated as a substitute and/or complement to a finite element analysis software. A composite Pi-joint and a composite Y-joint were evaluated using the rapid joint design tool to determine the applicability and limits of the software. Furthermore, three main preliminary parametric studies were performed to better understand the capability of the tool in predicting the stress distributions and trends in the Y-joint. The parameters investigated were the joint curvature, the laminated skin thickness, the adhesive systems, and the ply composition. Lastly, trends in predicted failure load were produced as a function of skin thickness (16ply, 24ply and 32ply). Failure loads were found with varying joint curvature and skin thickness using stress-based adherend failure criterion. The rapid joint design tool was also validated against existing experimental results.

Bonded Joints↗
DOE OSTI2014

TH-A-19A-01: An Open Source Software for Proton Treatment Planning in Heterogeneous Medium

Purpose: Due to its success in Radiation Oncology during the last decade, interest in proton therapy is on the rise. Unfortunately, despite the global enthusiasm in the field, there is presently no free, multiplatform and customizable Treatment Planning System (TPS) providing proton dose distributions in heterogenous medium. This restricts substantially the progress of clinical research for groups without access to a commercial Proton TPS. The latest implementation of our pencil beam dose calculation algorithm for proton beams within the 3D Slicer open-source environment fulfills all the conditions described above. Methods: The core dose calculation algorithm is based on the Hong algorithm (1), which was upgraded with the Kanematsu theory describing the evolution of the lateral scattering of proton beamlets in heterogeneous medium. This algorithm deals with both mono-energetic beams and Spread Out Bragg Peak (SOBP). In order to be user-friendly, we provide a graphical user interface implemented with the Qt libraries, and visualization with the 3D Slicer medical image analysis software. Two different pencil beam algorithms were developed, and the clinical proton beam line at our facility was modeled. Results: The dose distributions provided by our algorithms were compared to dose distributions coming from both commercialized XiO TPS and literature (dose measurements, GEANT4 and MCNPx) and turned out to be in a good agreement, with maximum dose discrepancies of 5% in homogeneous phantoms and 10% in heterogeneous phantoms. The algorithm of SOBP creation from an optimized weigthing of mono-energetic beams results in flat SOBP. Conclusion: We hope that our efforts in implementing this new, open-source proton TPS will help the research groups to have a free access to a useful, reliable proton dose calculation software.(1) L. Hong et al., A pencil beam algorithm for proton dose calculations, Phys. Med. Biol. 41 (1996) 1305–1330. This project is paid for by NCI/MGH Federal share as a research grant.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Component Modeling, Co-Optimization, and Trade-Space Evaluation (FY2021 Annual Progress Report)

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap devices and ceramic capacitors. This project includes: (1) a survey of available technologies; (2) the development of design tools that consider the converter volume and performance; (3) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, and select topologies; and (4) building and testing hardware prototypes to validate models and concepts. Early instantiations of the design tools enable co-optimization of the power module and passive elements and provide some design guidance; later instantiations will enable the co-optimization of inverter and machine. Prototype testing begins with evaluation of simpler conversion topologies (i.e. the half-bridge boost converter) and progresses with fabrication of prototype inverter drives.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Diffraction properties of cylindrically bent KAP crystals in energy range of 2.3–7.5 keV using synchrotron radiation

Verification of physics models and computer simulations are heavily reliant upon the accuracy of experimental measurements. Calibration of instrument responses becomes an important step to achieve this goal. This paper presents systematic studies of bent potassium acid phthalate (KAP) crystals using Lawrence Berkeley National Laboratories, Advanced Light Source, beamline 9.3.1 in the energy range of 2.3 to 7.5 keV. A set of KAP crystals, gradually bent from flat up to a 50.8 mm cylindrical curvature. The measured integrated reflectivity for this set of KAP crystals shows good agreement with the X-ray Oriented Program (XOP) calculations when adjusting the Debye–Waller temperature factor and using the multilamellar model in the calculations. Significant differences in rocking curve profiles were observed between experimental measurements and theory. A forward convolution model and software code were developed to include experimental parameters, allowing the investigation of the difference between measurements and calculations. After considering the experimental parameters, good agreements were obtained for the rocking curve profiles for all bending radii with a unique set of parameters. Our results show that XOP can be a useful and reliable tool to predict performance of cylindrically bent KAP crystals in this energy range.

Wu, Ming↗
DOE OSTI2024

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗