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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

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

The 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. One key challenge to this is the microstructural variability observed in the additively manufactured products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-throughput experimental and modeling techniques to accelerate qualification. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the additive manufacturing 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 microstructural variability 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 models to develop a digital twin for additive manufacturing that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation. The melting and subsequent solidification that occurs during the additive process is a complex phenomenon that requires multiscale multiphysics analysis. This work package focuses on understanding the role of process variabilities on the unique microstructural characteristics of additively manufactured materials. Microstructural features at the subgrain level, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. Idaho National Laboratory’s 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 additively manufactured materials in an efficient, reliable, and cost-effective way. This work focuses on capturing the microstructural variabilities at the subgrain level that are often missing in the part-scale models. In fiscal year 2025, we significantly advanced upon our work in the last fiscal year, in terms of the predictive capabilities of the physics-based and ML models, by adding the capabilities to capture subgrain-level micro-segregation during solidification using phase-field model and to predict the time-dependent dynamics of the AM process through the MOGPAR model. The alloy solidification model in MOOSE incorporates the thermodynamic properties and free energy relevant to 316 stainless steel. The model demonstrates the Cr and Ni segregation that occurs during solidification, including that the rate of solidification. The microstructural evolution model is connected to the process conditions via the surrogate model developed in this work. This enables predictions of the final microstructure in conjunctions with the manufacturing process. This work supports AMMT's rapid qualification goals by laying the foundation for an efficient and cost-effective model establishing the PSPP correlation for AM. The generated microstructures and predicted micro-segregation 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 helps to identify the key microstructural features at the subgrain level that are significant in property and performance predictions of additively manufactured components. This work will also provide inputs to the large-scale process variability models to reevaluate and validate assumptions and simplifications made in the part-scale models. Furthermore, through active learning this work can help identify the data need from both modeling and experimental sides for development of a robust digital twin for additive manufacturing and accelerate the AMMT's qualification efforts.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Analytical noise bias correction for precise weak lensing shear inference

Noise bias is a significant source of systematic error in weak gravitational lensing measurements that must be corrected to satisfy the stringent standards of modern imaging surveys in the era of precision cosmology. This paper reviews the analytical noise bias correction method and provides analytical derivations demonstrating that we can recover shear to its second order using the ‘renoising’ noise bias correction approach introduced by METACALIBRATION. We implement this analytical noise bias correction within the AnaCal shear estimation framework and propose several enhancements to the noise bias correction algorithm. We evaluate the improved AnaCal using simulations designed to replicate Rubin Legacy Survey of Space and Time (LSST) imaging data. These simulations feature semi-realistic galaxies and stars, complete with representative distributions of magnitudes and Galactic spatial density. We conduct tests under various observational challenges, including cosmic rays, defective CCD columns, bright star saturation, bleed trails, and spatially variable point spread functions. Our results indicate a multiplicative bias in weak lensing shear recovery of less than a few tenths of a per cent, meeting LSST Dark Energy Science Collaboration requirements without requiring calibration from external image simulations. Additionally, our algorithm achieves rapid processing, handling one galaxy in less than a millisecond.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hector V3.2.0: functionality and performance of a reduced-complexity climate model

Abstract. Hector is an open-source reduced-complexity climate–carbon cycle model that models critical Earth system processes on a global and annual basis. Here, we present an updated version of the model, Hector V3.2.0 (hereafter Hector V3), and document its new features, implementation of new science, and performance. Significant new features include permafrost thaw, a reworked energy balance submodel, and updated parameterizations throughout. Hector V3 results are in good general agreement with historical observations of atmospheric CO2 concentrations and global mean surface temperature, and the future temperature projections from Hector V3 are consistent with more complex Earth system model output data from the sixth phase of the Coupled Model Intercomparison Project. We show that Hector V3 is a flexible, performant, robust, and fully open-source simulator of global climate changes. We also note its limitations and discuss future areas for improvement and research with respect to the model's scientific, stakeholder, and educational priorities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Machine Learning for Joint Quality Control

The use of lightweight material combinations has been highly demanded in manufacturing automotive structures. However, making robust dissimilar material joints of such lightweight materials is still challenging. A significant barrier to achieving high-quality and repeatable joint performance is a deficient understanding of the relationship between the welding process, joint attributes, and joint performance. In this context, welding factors refer to material, equipment, environment, and process parameters, while joint features comprise specific microstructural attributes of the weld such as nugget size, heat affected zone (HAZ) topology, intermetallic layer thickness, and sheet thickness reduction. Joint performance is quantified in terms of strength (e.g., tensile shear, coach peel, cross-tension), weld size, and hardness, among other factors. While there have been many attempts to establish this process-structure-property relationship by developing a model derived from the associated physics and first principles, the complexity of the joining processes compounded by the complex interactions with different materials in an automotive assembly line environment, has hindered the usefulness of such attempts. The complexity is further exacerbated using different stacking materials, especially comprising dissimilar material combinations. In practice, the common approach has been the laborious process of creating welds, characterizing them, and then physically testing them through experimentation. With the emergence of artificial intelligence (AI) methods, an alternative pathway to eliciting the desired process-structure-property relationship at an accelerated pace is to use a data-driven approach by employing machine-learning (ML) techniques. This approach is benefitted by the availability of large streams of data, generated through years of research and testing by original equipment manufacturers, in the form of material, process, environmental, equipment, microstructural, and bulk-scale performance information from multimodal, multiscale sensors making measurements from laboratory-scale to production-scale processes. During Phase I efforts, which ended in fiscal year (FY) 2021, the Oak Ridge National Laboratory and Pacific Northwest National Laboratory (ORNL/PNNL) team demonstrated the effectiveness of different ML/AI frameworks in modeling complex relationships between resistance spot welding (RSW) process parameters, weld attributes, and joint properties using a subset of data from General Motors (GM). In FY 2022, the project team further refined and expanded their respective ML models to analyze additional welds with new weld stack-ups and materials to enhance the ML model predictive capability. ORNL extended its unified deep neural networks (DNN) ML training and prediction framework with new data streams of process parameters, and PNNL extended its model describing RSW process parameters’ associations with weld attributes. In FY 2023, the project team completed the development of the AI/ML architecture for analyzing aluminum/steel joints manufactured by GM via RSW and transitioned into the inline welding quality monitoring task for steel/steel RSW joints provided by GM.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Half-life determination of heavy ions in a storage ring considering feeding and depleting background processes

Heavy-ion storage rings have relatively large momentum acceptance which allows for multiple ion species to circulate at the same time. This needs to be considered in radioactive decay measurements of highly charged ions, where atomic charge exchange reactions can significantly alter the intensities of parent and daughter ions. In this study, we investigate this effect using the decay curves of ion numbers in the recent 205 Tl 81+ bound-state beta decay experiment conducted using the Experimental Storage Ring at GSI Darmstadt. To understand the intricate dynamics of ion numbers, we present a set of differential equations that account for various atomic and nuclear reaction processes—bound state beta decay, atomic electron recombination and capture, and electron ionization. By incorporating appropriate boundary conditions, we develop a set of differential equations that accurately simulate the decay curves of various simultaneously stored ions in the storage ring: 205 Tl 81+ , 205 Pb 81+ , 205 Pb 82+ , 200 Hg 79+ , and 200 Hg 80+ . Through a quantitative comparison between simulations and experimental data, we provide insights into the detailed reaction mechanisms governing stored heavy ions within the storage ring. Our approach effectively models charge-changing processes, reduces the complexity of the experimental setup, and provides a simpler method for measuring the decay half-lives of highly charged ions in storage rings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Process and control variables from the mercury loop at the SNS's mercury target

Set of process and control variables corresponding to the mercury process loop at the Spallation Neutron Source's (SNS) mercury target. The data corresponds to 36 measurement signals (pressure, temperature, flows, valve position, etc.) spanning from 2017/01/01 to 2023/12/31. Each signal is broken intro three-month intervals, resulting in a total of 28 files per signal during the aforementioned period of time.

mercury loop↗
DOE OSTI2026

Integrative SP3 Workflow for Multi-PTM Proteomics Profiling (TZ-DP0)

The goal of the experiment was to demonstrate that the optimized multiplexed multi-PTM profiling workflow can comprehensively and quantitatively capture dynamic changes in protein abundance, cysteine oxidation, phosphorylation, and acetylation in cytokine-induced inflammatory stress in mouse pancreatic ß-cells. Global proteomic, redox proteomic, phosphoproteomic, and acetylomic were data collected from mouse Beta-TC-6 pancreatic Beta-cells, untreated (mock) and cytokine-treated Beta-cells at 4, 8, and 24 hours with 4 biological replicates. Samples were digested with trypsin and Lys-C, then analyzed by LC-MS/MS. Data were searched with MS-GF+, MASIC, and MaxQuant using PNNL's DMS processing pipeline.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An evolving Coupled Model Intercomparison Project phase 7 (CMIP7) and Fast Track in support of future climate assessment

The Coupled Model Intercomparison Project (CMIP) coordinates community-based efforts to answer key and timely climate science questions, facilitate delivery of relevant multi-model simulations through shared infrastructure, and support national and international climate assessments. Generations of CMIP have evolved through extensive community engagement from punctuated phasing into more continuous support for the design of experimental protocols, infrastructure for data publication and access, and public delivery of climate information. We identify four fundamental research questions motivating a seventh phase of coupled model intercomparison relating to patterns of sea surface temperature change, changing weather, the water–carbon–climate nexus, and tipping points. Key CMIP7 advances include an expansion of baseline experiments, a focus on CO 2 -emissions-driven experiments, sustained support for community MIPs, periodic updating of historical forcings and diagnostics requests, and a collection of prioritized experiments, or the “Assessment Fast Track”, drawn from community MIPs to support climate research, assessment, and service goals across prediction and projection, characterization, attribution, and process understanding.

Environmental sciences↗
DOE OSTI2025

Measurements and Analyses to Enable Science for the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE)

Coastal cities provide the opportunity to characterize the substantial effects of manmade particles on marine cloud properties and processes. La Jolla lies to the north of San Diego, California, but it is often about a day directly downwind of the major pollution sources located in the ports of Los Angeles and Long Beach. The large dynamic range of aerosol particle concentrations combined with the multi-hour to multi-day persistence of stratocumulus cloud layers makes the site ideal for investigating the seasonal changes in cloud and aerosol properties as well as the quantitative relationships between cloud and aerosol properties. The Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) characterized the extent, radiative properties, aerosol interactions, and precipitation characteristics of stratocumulus clouds in the Eastern Pacific across all four seasons at two coastal sites in La Jolla. This project was designed to enhance and expand the scientific uses of the ARM AMF1 measurements from EPCAPE. The goal was to ensure meaningful observations were collected that would enable science. The project included the following objectives: (1) Reviewing the ARM AMF1 measurements [ARM, 2021a; b] and circulating a summary of the measurements each week, (2) Comparing AMF1 measurements to those provided by collaborators (including filter measurements at the pier), (3) Collecting and analyzing filter samples from Scripps Pier by Fourier Transform Infrared spectroscopy (FTIR) and X-ray Fluorescence (XRF), (4) Assisting in operations of instruments provided by Guest PIs when possible, and (5) Providing an initial compilation of EPCAPE aerosol and cloud seasonal differences. The expected outcomes of these objectives were enhanced proposals and publications using EPCAPE measurements by helping to identify instrument issues, expanded data access and awareness by distributing weekly plots and related summaries, improved source-related attribution of aerosols with elemental tracers, additional observations provided by Guest PIs, and accelerated ACI studies enabled by the compiled seasonal summaries of aerosol and cloud properties. Three examples of the science enabled by this project are findings that (i) aerosol and cloud aqueous production contributes more than half of sulfate particle mass concentration, (ii) upwind sources make chemical composition very similar at nearby sites despite local differences in meteorology, and (iii) most of the large mass concentration of semi-volatile organic components is co-emitted and co-evaporated with nitrate. Together these findings illustrate how ARM extended field campaigns in coastal regions can be used to constrain ACI processes with direct observations. By using the unique ARM suite of cloud radiative products in addition to the measured aerosol properties at a coastal location, we were able to address the more specific question of which aerosol particles cause how much of the effects on clouds. Identifying this signature in coastal areas provides an opportunity to test the representation of aerosol sources by global models in a range of clean and urban-influenced conditions.

Russell, Lynn [Univ. of California, San Diego, CA ↗
DOE OSTI2025

Modeling of Vertical Motor-driven Pump for Simulation of a Fault Signature \\ for Condition Monitoring

As part of the ongoing effort to transition from preventive maintenance strategies to condition-based maintenance strategies in nuclear power plants, there is significant reliance on using machine learning techniques. To develop a robust machine learning model that can diagnose all the fault modes of a vertical motor-driven pump, data capturing the unique signature of each fault mode is required. In practice, it is difficult to collect or capture data that captures all the fault modes from a single plant site. So to address this situation, a computational model of a vertical motor-driven pump is developed using the multipurpose finite element software COMSOL Multiphysics. The developed model is used to generate simulated data under normal operation and is compared with the vibration data collected using vibration sensors. Once the simulation model is verified under normal operating condition, simulated data for the fault mode for which minimal or no evidence is available in historical plant process data is developed. This simulated data is used to develop fault signatures to achieve robust predictive models. This paper presents modeling details and verification of the model that can used to generate data for fault modes that are not available at a plant site for condition monitoring purpose.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

A new perspective on density and strength loss profiles at the surface of thermally oxidized nuclear graphite

Oxidation of graphite components could influence their designed life in a high-temperature nuclear reactor. The oxidized regions could potentially lower the allowed stress capacity. The American Society of Mechanical Engineers rules for the design and construction of graphite-moderated reactors recommend that subsurface regions that might become excessively damaged by oxidation during reactor operation be identified and excluded from geometry and stress calculations. Identification of oxidation-affected regions is possible, in principle, through complex modeling exercises of reactor behavior during hypothetical accident scenarios coupled with graphite oxidation models, but this procedure may not have the precision needed for informed decisions. Here, this paper proposes an alternate method, based on interpretation of a series of well-designed oxidation experiments, which could augment the designer's tools. The procedure is illustrated by data on oxidation by air of several graphite grades (NBG-18, PCEA, IG-110, R4-650) that are corroborated with independent literature information, when available. The Wichner model for graphite oxidation used for this analysis provides conservative results that could be quickly implemented in the design process.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Protocol for applying a network-enabled gene discovery pipeline to non-model plant species

Identifying upstream regulators of key genes is essential for understanding gene regulatory mechanisms and translating these insights into functional targets. Here, we present a protocol for applying the network-enabled gene discovery pipeline (NEEDLE) to non-model plant species. We describe steps for environment setup, data preparation, computational analysis, expected outputs, and parameter considerations. NEEDLE integrates RNA sequencing (RNA-seq) processing, weighted gene co-expression analysis (WGCNA), Gene Network Inference with Ensemble of trees (GENIE3), and promoter conservation analysis to prioritize candidate transcriptional regulators.

Plant Sciences↗
DOE OSTI2026

Uncertainty guided online ensemble for non-stationary data streams in fusion science

Machine Learning (ML) is poised to play a pivotal role in the development and operation of next-generation fusion devices. Fusion data shows non-stationary behavior with distribution drifts, resulted by both experimental evolution and machine wear-and-tear. ML models assume stationary distribution and fail to maintain performance when encountered with such non-stationary data streams. Online learning techniques have been leveraged in other domains, however it has been largely unexplored for fusion applications. In this paper, we investigate online learning for continuous adaptation to drifting data streams in the prediction of Toroidal Field (TF) coils deflection at the DIII-D fusion facility. We further address the short-term performance degradation inherent to standard online learning, which arises because ground truth is unavailable at prediction time. To mitigate this issue, we propose an uncertainty-guided online ensemble framework. The method leverages the Deep Gaussian Process Approximation (DGPA) for calibrated uncertainty estimation and uses these uncertainty measures to guide a meta-algorithm that aggregates predictions from learners trained over different historical horizons. Our results show that online learning reduces prediction error by 80% compared to a static model. The online ensemble and the proposed uncertainty-guided ensemble further reduce error by approximately 6%, and 10% respectively, relative to standard single-model online learning, while also providing calibrated uncertainty estimates to support operational decision-making.

AI↗
DOE OSTI2025

RhizoGrid Indexed Sorghum Rhizosphere Multi-Omics

PerCon SFA project data dentification of spatially resolved biomarkers of drought in Sorghum bicolor rhizosphere molecular-microbe interactions using a novel root cartography "RhizoGrid" system for sampling plants under drought and control conditions across 10 equally sized root zone environments (4 quadrants each). Each quadrant was sampled and processed for 16S amplicon, metabolomics, and X-ray computed tomography (XCT). Data download includes experimental metadata and results files for 16S rRNA sequence analysis of microbial community assembly (processed data files), liquid chromatography mass spectrometry (LC-MS) metabolomics analysis of microbial community root exudates (processed data files), X-ray computed tomography (XCT) spatial gradient analysis (raw and processed data files) of microbial community composition, and related computational modeling outputs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Large spatiotemporal variability in aerosol properties over central Argentina during the CACTI field campaign

Abstract. Few field campaigns with extensive aerosol measurements have been conducted over continental areas in the Southern Hemisphere. To address this data gap and better understand the interactions of convective clouds and the surrounding environment, extensive in situ and remote sensing measurements were collected during the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign conducted between October 2018 and April 2019 over the Sierras de Córdoba range of central Argentina. This study describes measurements of aerosol number, size, composition, mixing state, and cloud condensation nuclei (CCN) collected on the ground and from a research aircraft during 7 weeks of the campaign. Large spatial and multiday variations in aerosol number, size, composition, and CCN were observed due to transport from upwind sources controlled by mesoscale to synoptic-scale meteorological conditions. Large vertical wind shears, back trajectories, single-particle measurements, and chemical transport model predictions indicate that different types of emissions and source regions, including biogenic emissions and biomass burning from the Amazon and anthropogenic emissions from Chile and eastern Argentina, contribute to aerosols observed during CACTI. Repeated aircraft measurements near the boundary layer top reveal strong spatial and temporal variations in CCN and demonstrate that understanding the complex co-variability of aerosol properties and clouds is critical to quantify the impact of aerosol–cloud interactions. In addition to quantifying aerosol properties in this data-sparse region, these measurements will be valuable to evaluate predictions over the midlatitudes of South America and improve parameterized aerosol processes in local, regional, and global models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

MINLP for regularized symbolic regression with applications to data-driven modeling of critical minerals processes

The poster summarizes recent advances in symbolic regression developed as part of the PrOMMiS project over the past year. In particular, it describes the comparison of surrogates for critical minerals (CM) & rare earth element (REE) recovery flowsheets obtained via symbolic regression and ALAMO. It also compares the predictive ability and solvability of optimization models that incorporate these surrogates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Applying Gaussian Process Machine Learning and Modern Probabilistic Programming to Satellite Data to Infer CO 2 Emissions

Satellite data provides essential insights into the spatiotemporal distribution of CO 2 concentrations. However, many atmospheric inverse models fail to adequately incorporate the spatial and temporal correlations inherent in satellite observations and often lack rigorous methods for estimating parameters like spatial length scales. We introduce an inference model that processes the spatiotemporal covariance in satellite data and estimates hyperparameters such as covariance length scales. Our approach uses the Gaussian process (GP) machine learning (ML) and modern probabilistic programming languages (PPLs) to perform atmospheric inversions of emissions from satellite data. We develop a GP ML inversion system based on modern PPLs and the GEOS-Chem chemical transport model, simulating atmospheric CO 2 concentrations corresponding to the Orbiting Carbon Observatory-2/3 (OCO-2/3) data for July 2020. In our supervised learning framework, we treat the GEOS-Chem simulated data set as the target, with predictors derived by scaling the target with sector-specific factors hidden from the GP machine. Our results show that the GP model, combined with GPU-enabled PPLs, effectively retrieves true emission scaling factors and infers noise levels concealed within the data. This suggests that our method could be applied over larger areas with more complex covariance structures, enabling comprehensive analysis of the spatiotemporal patterns observed in OCO-2/3 and similar satellite data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Digital Twin for Chemical Science (DTCS) v0.01

Directly visualizing the trajectories of chemistry can unravel novel insights into the behavior of catalysts, gas phase reactions, photo-induced dynamics, and building blocks for quantum information processing. The ability of explicitly identifying, tracking, and tagging the exchange of matter, hence the annihilation and creation of new chemical species, can be best realized through a close coupling of theory and experiment. While the synchrotron-based characterization facilities propelled rapidly in its hardware, providing higher brightness, better resolution, and more precision, the software infrastructure is lagging. We developed DTCS (Digital Twin for Chemical Science) v.01, a central platform that faithfully mimics advanced instrumentations in Scientific User Facilities, by solving a variety of technical challenges in data acquisition, analysis, and model-driven interpretation. Rooted in physics and accelerated by AI, we validated this concept by direct comparison with precise experimental X-ray Photoelectron Spectroscopy (XPS) observations using a ubiquitous metal-water interfacial scenario, i.e., Ag/H2O as our main narrative. The DTCS v.01 input mirrors how the bench chemists work, with the output directly linked to the end station computer, thereby providing a user-friendly, knowledge-driven, and accessible user experience with mechanistic insights standardized in a way that are ready to be published, versioned, and transferred flexibly.

Qian, Jin↗