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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Controlling Ion Uptake in Carboxylated Mixed Conductors

Organic mixed ionic‐electronic conductors (OMIECs) have garnered significant attention due to their capacity to transport both ions and electrons, making them ideal for applications in energy storage, neuromorphics, and bioelectronics. However, charge compensation mechanisms during the polymer redox process remain poorly understood, and are often oversimplified as single‐ion injection with little attention to counterion effects. To advance understanding and design strategies toward next‐generation OMIEC systems, a series of p‐channel carboxylated mixed conductors is investigated. Varying side‐chain functionality, distinctive swelling character is uncovered during electrochemical doping/dedoping with model chao‐/kosmotropic electrolytes. Carboxylic acid functionalized polymers demonstrate strong deswelling and mass reduction during doping, indicating cation expulsion, while ethoxycarbonyl counterparts exhibit prominent mass increase, pointing to an anion‐driven doping mechanism. By employing operando grazing incidence X‐ray fluorescence (GIXRF), it is revealed that the carboxyl functionalized polymer engages in robust cation interaction, whereas ester functionalization shifts the mechanism towards no cation involvement. It is demonstrated that cations are pivotal in mitigating swelling by counterbalancing anions, enabling efficient anion uptake without compromising performance. These findings underscore the transformative influence of functionality‐driven factors and side‐chain chemistry in governing ion dynamics and conduction, providing new frameworks for designing OMIECs with enhanced performance and reduced swelling.

carboxylated polythiophenes↗
DOE OSTI2024

A susceptibility gene signature for ERBB2-driven mammary tumour development and metastasis in collaborative cross mice

Background: Deeper insights into ERBB2-driven cancers are essential to develop new treatment approaches for ERBB2+ breast cancers (BCs). We employed the Collaborative Cross (CC) mouse model to unearth genetic factors underpinning Erbb2-driven mammary tumour development and metastasis. Methods: 732 F1 hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains were monitored for mammary tumour phenotypes. GWAS pinpointed SNPs that influence various tumour phenotypes. Multivariate analyses and models were used to construct the polygenic score and to develop a mouse tumour susceptibility gene signature (mTSGS), where the corresponding human ortholog was identified and designated as hTSGS. The importance and clinical value of hTSGS in human BC was evaluated using public datasets, encompassing TCGA, METABRIC, GSE96058, and I-SPY2 cohorts. The predictive power of mTSGS for response to chemotherapy was validated in vivo using genetically diverse MMTV-Erbb2 mice. Findings: Distinct variances in tumour onset, multiplicity, and metastatic patterns were observed in F1-hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains. Besides lung metastasis, liver and kidney metastases emerged in specific CC strains. GWAS identified specific SNPs significantly associated with tumour onset, multiplicity, lung metastasis, and liver metastasis. Multivariate analyses flagged SNPs in 20 genes (Stx6, Ramp1, Traf3ip1, Nckap5, Pfkfb2, Trmt1l, Rprd1b, Rer1, Sepsecs, Rhobtb1, Tsen15, Abcc3, Arid5b, Tnr, Dock2, Tti1, Fam81a, Oxr1, Plxna2, and Tbc1d31) independently tied to various tumour characteristics, designated as a mTSGS. hTSGS scores (hTSGSS) based on their transcriptional level showed prognostic values, superseding clinical factors and PAM50 subtype across multiple human BC cohorts, and predicted pathological complete response independent of and superior to MammaPrint score in I-SPY2 study. The power of mTSGS score for predicting chemotherapy response was further validated in an in vivo mouse MMTV-Erbb2 model, showing that, like findings in human patients, mouse tumours with low mTSGS scores were most likely to respond to treatment. Interpretation: Our investigation has unveiled many new genes predisposing individuals to ERBB2-driven cancer. Translational findings indicate that hTSGS holds promise as a biomarker for refining treatment strategies for patients with BC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

A comparison of surrogate constitutive models for viscoplastic creep simulation of HT-9 steel

Mechanistic microstructure-informed constitutive models for the mechanical response of polycrystals are a cornerstone of computational materials science. However, as these models become increasingly more complex – often involving coupled differential equations describing the effect of specific deformation modes – their associated computational costs can become prohibitive, particularly in optimization or uncertainty quantification tasks that require numerous model evaluations. To address this challenge, surrogate constitutive models that balance accuracy and computational efficiency are highly desirable. Data-driven surrogate models, that learn the constitutive relation directly from data, have emerged as a promising solution. In this work, we develop two local surrogate models for the viscoplastic response of a steel: a piecewise response surface method and a mixture of experts model. These surrogates are designed to adapt to complex material behavior, which may vary with material parameters or operating conditions. The surrogate constitutive models are applied to creep simulations of HT-9 steel, an alloy of considerable interest to the nuclear energy sector due to its high tolerance to radiation damage, using training data generated from viscoplastic self-consistent (VPSC) simulations. In conclusion, we define a set of test metrics to numerically assess the accuracy of our surrogate models for predicting viscoplastic material behavior, and show that the mixture of experts model outperforms the piecewise response surface method in terms of accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PSIP For HDF5 Pilot Project (Final Report)

Productivity and Sustainability Improvement Planning (PSIP) is a lightweight, incremental and iterative approach (much in the same spirit as Agile methodologies) for making routine software process improvements in software projects. It is designed to be easily applied in existing development workflows. Quoting from a November 2019 workshop paper describing PSIP. PSIP breaks from classic software process improvement approaches such as CMM(I), SPICE, ISO 9000 or Six Sigma, in that it trades comprehensive standards and certification-driven assessment for self-defined, internally driven goals. It does, however, carry forward such ideas as having staged models of improvement (like CMM(I)) in the form of progress tracking cards. Additionally, PSIP is more aligned with lean and agile methods; it adopts their emphasis on iterative improvement and continuous learning. At its core, PSIP is an instantiation of the Plan-Do-Check-Act management cycle (PDCA, also known as Plan-Do-Study-Adjust) which provides the foundation for much of the modern software process improvement literature. This situates PSIP within a constellation of bottom-up, inductive software process improvement methods. PSIP is designed around the notion that already overburdened teams can define and carry out a series of small, incremental steps of progression towards improvement goals without significant (there will be some, but the goal is to avoid significant) disruption to ongoing development activities. A key enabling tool in PSIP is the use of Progress Tracking Cards (PTCs) which define the steps of progression towards a given improvement goal. This is the theory of PSIP. The PSIP for HDF5 project was aimed at putting PSIP into practice with the purpose of evaluating its effectiveness in planning and facilitating quality and process improvements in a scientific software project as well as its associated artifacts. The HDF5 project was chosen as a use case to evaluate PSIP for several reasons. First, NNSA labs and LLNL in particular have a keen interest in how HDF5 quality impacts its uptake and sustainability as a community adopted and supported code. Next, HDF5 is a foundational library, a key substrate in the HPC/CSE software stack, and any improvements there realized through this contract will have benefits to many DOE applications depending on it. HDF5 also represents an older, legacy code with technical debts to pay down. These characteristics are similar to many NNSA and even some ECP code projects. But, because HDF5 is an I/O library, it represents a simpler use case within which to study PSIP than a full-fledged and significantly more complex PDE simulation code. We believe these attributes make HDF5 an ideal use case for evaluating PSIP.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Toward implementing autonomous adaptive data acquisition for scanning hyperspectral imaging of biological systems

Autonomous experimentation is an emerging area of research, primarily related to autonomous vehicles, scientific combinatorial discovery approaches in materials science and drug discovery, and iterative research loops of planning, experimentation, and analysis. However, autonomous approaches developed in these contexts are difficult to apply to high-dimensional mapping technologies, such as scanning hyperspectral imaging of biological systems, due to sample complexity and heterogeneity. We briefly cover the history of adaptive sampling algorithms and surrogate modeling in order to define autonomous adaptive data acquisition as an objective-based, flexible building block for future biological imaging experimentation driven by intelligent infrastructure. We subsequently summarize the recent implementations of autonomous adaptive data acquisition (AADA) for scanning hyperspectral imaging, assess how these address the difficulties of autonomous approaches in hyperspectral imaging, and highlight the AADA design variation from a goal-oriented perspective. Finally, we present a modular AADA architecture that embeds AADA-driven flexible building blocks to address the challenge of time resolution for high-dimensional scanning hyperspectral imaging of nonequilibrium dynamical systems. In our example research-driven experimental design case, we propose an AADA infrastructure for time-resolved, noninvasive, and label-free scanning hyperspectral imaging of living biological systems. This AADA infrastructure can accurately target the correct state of the system for experimental workflows that utilize subsequent expensive, high-information-content analytical techniques.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Data-driven Optimal Control Strategy for Virtual Synchronous Generator via Deep Reinforcement Learning Approach

This paper aims at developing a data-driven optimal control strategy for virtual synchronous generator (VSG) in the scenario where no expert knowledge or requirement for system model is available. Firstly, the optimal and adaptive control problem for VSG is transformed into a reinforcement learning task. Specifically, the control variables, i.e., virtual inertia and damping factor, are defined as the actions. Meanwhile, the active power output, angular frequency and its derivative are considered as the observations. Moreover, the reward mechanism is designed based on three preset characteristic functions to quantify the control targets: (1) maintaining the deviation of angular frequency within special limits; (2) preserving well-damped oscillations for both the angular frequency and active power output; (3) obtaining slow frequency drop in the transient process. Next, to maximize the cumulative rewards, a decentralized deep policy gradient algorithm, which features model-free and faster convergence, is developed and employed to find the optimal control policy. With this effort, a data-driven adaptive VSG controller can be obtained. By using the proposed controller, the inverter-based distributed generator can adaptively adjust its control variables based on current observations to fulfill the expected targets in model-free fashion. Finally, simulation results validate the feasibility and effectiveness of the proposed approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Towards a More Predictive Framework for Laser-Driven Particle Sources through Experimental Data-Informed Models

Laser-driven particle acceleration (LDPA) has emerged as a critical technology for high-energydensity physics applications since its discovery at Lawrence Livermore National Laboratory twenty years ago. However, realizing the full potential of these particle sources requires understanding the fundamental acceleration mechanisms and developing enhanced target designs for improved performance. This research addressed the need for controllable, high-performance laser-driven proton sources through two complementary approaches: experimentally investigating sheath field dynamics in multi-picosecond laser regimes and developing novel three-dimensional printed microstructured targets to achieve enhanced particle acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Investigations of detail design issues for the high speed acoustic wind tunnel using a 60th scale model tunnel. Part 2: Tests with the closed circuit

This report summarizes the tests on the 1:60 scale model of the High Speed Acoustic Wind Tunnel (HSAWT) performed during the period June - August 1991. Throughout the testing the tunnel was operated in the 'closed circuit mode,' that is when the airflow was set up by an axial flow fan, which was located inside the tunnel circuit and was directly driven by a motor. The tests were first performed with the closed test section and were subsequently repeated with the open test section, the latter operating with the nozzle-diffuser at its optimum setting. On this subject, reference is made to the report (1) issued January 1991, under contract 17-GFY900125, which summarizes the result obtained with the tunnel operating in the 'open circuit mode.' The tests confirmed the viability of the tunnel design, and the flow distributions in most of the tunnel components were considered acceptable. There were found, however, some locations where the flow distribution requires improvement. This applies to the flow upstream of the fan where the flow was found skewed, thus affecting the flow downstream. As a result of this, the flow appeared separated at the end of the large diffuser at the outer side. All tests were performed at NASA LaRC.

Barna, P. Stephen↗
DOE OSTI2025

Data-driven multi-element substitution of TiFe alloys for tunable thermodynamics and enhanced activation behaviour for hydrogen storage

Due to their high volumetric hydrogen storage capacity under moderate storage conditions, TiFe alloys have been widely investigated as candidates for practical solid-state hydrogen storage. Partially substituting Ti or Fe sites can improve the key characteristics of TiFe alloys, such as the first hydrogen absorption step (activation) and the equilibrium hydrogen pressure (thermodynamic properties). However, the selection of substitution elements has heavily relied on intuition and trial-and-error. Also, conventional substitution strategies have mainly focused on single-element substitution within the TiFe alloy, limiting the design space and tunability for target applications. Here, to address this limitation, we report a multi-element substitution strategy motivated by an efficient, data-driven machine learning (ML) approach combined with corroborating density functional theory (DFT) calculations. Our models successfully predict experimentally measured hydride stability in five selected alloys using only compositional descriptors. Most importantly, the multi-element substitution leads to enhanced activation properties compared to pure TiFe, achieving near room-temperature activation behaviour. This work provides a method for on-demand tuning of hydrogen storage and activation properties, which may have broad implications for data-driven discovery of energy storage materials.

Cho, YongJun [Korea Advanced Institute Science and↗
DOE OSTI2024

Tokamak divertor plasma emulation with machine learning

Abstract Future tokamak devices that aim to create conditions relevant to power plant operations must consider strategies for mitigating damage to plasma facing components in the divertor. One of the goals of MAST-U tokamak operations is to inform these considerations by researching advanced divertor configurations that aid stable plasma detachment. Machine design, scenario planning and detachment control would all greatly benefit from tools that enable rapid calculation of scenario-relevant quantities given some input parameters. This paper presents a method for generating large, simulated scrape-off layer data sets, which was applied to generate a data set of steady-state Hermes-3 simulations of the MAST-U tokamak. A machine learning model was constructed using a Bayesian approach to hyperparameter optimisation to predict diagnosable output quantities given control-relevant input features. The resulting best-performing model, which is based on a feedforward neural network, achieves high accuracy when predicting electron temperature at the divertor target and carbon impurity radiation front position and runs in around 1 ms in inference mode. Techniques for interpreting the predictions made by the model were applied, and a high-resolution parameter scan of upstream conditions was performed to demonstrate the utility of rapidly generating accurate predictions using the emulator. This work represents a step forward in the design of machine learning-driven emulators of tokamak exhaust simulation codes in operational modes relevant to divertor detachment control and plasma scenario design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

FedCSpc: A Cross-Silo Federated Learning System With Error-Bounded Lossy Parameter Compression

Cross-Silo federated learning is widely used for scaling deep neural network (DNN) training over data silos from different locations worldwide while guaranteeing data privacy. Communication has been identified as the main bottleneck when training large-scale models due to large-volume model parameters and gradient transmission across public networks with limited bandwidth. Most previous works focus on gradient compression, while limited work tries to compress parameters that can not be ignored and extremely affect communication performance during the training. Here, to bridge this gap, we propose FedCSpc: an efficient cross-silo federated learning system with an XAI-driven adaptive parameter compression strategy for large-scale model training. Our work substantially differs from existing gradient compression techniques due to the distinct data features of gradient and parameter. The key contributions of this paper are fourfold. (1) Our designed FedCSpc proposes to compress the parameter during the training using the state-of-the-art error-bounded lossy compressor – SZ3. (2) We develop an adaptive compression error bound adjustment algorithm to guarantee the model accuracy effectively. (3) We exploit an efficient approach to utilize the idle CPU resources of clients to compress the parameters. (4) We perform a comprehensive evaluation with a wide range of models and benchmarks on a GPU cluster with 65 GPUs. Results show that FedCSpc can achieve the same model accuracy as FedAvg while reducing the data volume of parameters and gradients in communication by up to 7.39× and 288×, respectively. With 32 clients on a 4 Gb size model, FedCSpc significantly outperforms FedAvg in wall-clock time in the emulated WAN environment (at the bandwidth of 1 Gbps or lower without loss of generality).

SZ3↗
DOE OSTI2024

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗
DOE OSTI2025

Assessment of Microstructure Prediction Capabilities for Powder Bed Fusion Stainless Steel 316

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the characteristic process-structure-property relationships of additive manufacturing (AM) materials pose challenges for the qualification and certification of AM nuclear components. In particular, component-scale variations in microstructure and properties can be driven by localized changes in melt pool dynamics due to how process parameters interact with different part geometries. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents final results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing identified challenges and future opportunities for connecting the developed simulation workflow with mechanics simulations for prediction of part performance.

36 MATERIALS SCIENCE↗
NASA NTRS1992

EnviroNET: An on-line environment data base for LDEF data

EnviroNET is an on-line, free form data base intended to provide a centralized depository for a wide range of technical information on environmentally induced interactions of use to Space Shuttle customers and spacecraft designers. It provides a user friendly, menu driven format on networks that are connected globally and is available twenty-four hours a day, every day. The information updated regularly, includes expository text, tabular numerical data, charts and graphs, and models. The system pools space data collected over the years by NASA, USAF, other government facilities, industry, universities, and ESA. The models accept parameter input from the user and calculate and display the derived values corresponding to that input. In addition to the archive, interactive graphics programs are also available on space debris, the neutral atmosphere, radiation, magnetic field, and ionosphere. A user friendly informative interface is standard for all the models with a pop-up window, help window with information on inputs, outputs, and caveats. The system will eventually simplify mission analysis with analytical tools and deliver solution for computational intense graphical applications to do 'What if' scenarios. A proposed plan for developing a repository of LDEF information for a user group concludes the presentation.

Lauriente, Michael↗
NASA NTRSDate not supplied

Aerocapture at Saturn

The feasibility and benefits of using aerocapture for orbit insertion in the Saturn atmosphere are assessed in the context of existing technologies and likely science mission architectures in the Saturn system. We model aerocapture in-atmosphere flight performance in the presence of expected day-of-flight uncertainties, including those driven by limited knowledge of Saturn, to determine aerocapture flight system needs. We assess the impact of aerocapture on overall mission design for future science missions by including aerocapture in an end-to-end mission design and optimization scheme. Results indicate that aerocapture may feasible and beneficial with limited-to-no technology investment for missions designed to address near-term science priorities in the Saturn system.

Aerocapture↗
NASA NTRS1988

Design of a rotary stepped auger for a lunar environment

A lunar outpost will have need for deep drilling operations for both explorative and practical purposes. As in any drilling operation, the cuttings must be cleared from the hole. The hard vacuum of the lunar environment renders conventional flushing methods of cutting removal unfeasible, and requires a new system of removal. A rotary stepped auger (RSA) is a simple mechanical method of removing dry cuttings from a deep hole, and is ideally suited to the lunar environment. The RSA consists of a helical auger with stepped ramps which allow cuttings to slide up the helix, but will prevent them from sliding back down. The auger is driven in a pulsed manner by applying a periodic function of acceleration to the auger shaft. These pulses will compel the cuttings to slide up the auger's helix while the stepped ramps prevent the cuttings from backsliding while the auger accelerates. A mathematical model of the RSA was developed and experimentally evaluated. The math model produced a good baseline design, but the experimental model required some tuning to account for the approximations made in the math model. This design is suited for lunar drilling because it is mechanically simple, integral to the drill string, requires no fluids, is suited to the dry soil, and has relatively low weight and power requirements.

Dardet, Eduardo↗
DOE OSTI2024

Development of a Hardware-in-The-Loop Testbed for a Decentralized, Data-Driven Electric Vehicle Charging Control Algorithm

This study presents the design of an electric vehicle (EV)-grid integration (EVGI) hardware test-bed to implement smart EV charging algorithms. Here, the proposed test-bed also allows to create different grid events via flexible integration of other power hardware (e.g., controllable loads and battery energy storage systems) and test their impacts on EV charging. The design uses a real-time digital simulator to realize a complex distribution grid model with primary and secondary networks. A grid simulator physically realizes the selected nodes of the simulated grid to power an actual EV, forming a hardware-in-the-loop (HIL) test setup. The EV-grid integration is demonstrated based on the custom hardware and software implementation of the J1772 charging protocol using dSPACE MicroLabBox, operating as a custom EV Supply Equipment (EVSE). The HIL test-bed features a novel testing platform for accurate implementation and analysis of scalable charging algorithms. To this end, a data-driven, decentralized, model-free charging controller based on the Additive Increase and Multiplicative Decrease (AIMD) algorithm is presented and validated on an EV using the HIL test-bed. We tested the proposed algorithm under various case studies, and presented a comparison study with an existing droop-based, decentralized charging solution. The results showed that the EV successfully performed charging commands generated by the EVSE and regulated its charging power to effectively reduce the system loading caused by high EV penetration.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Correlating Time-Resolved Pressure Measurements With Rim Sealing Effectiveness for Real-Time Turbine Health Monitoring

Purge flow is bled from the upstream compressor and supplied to the under-platform region to prevent hot main gas path ingress that damages vulnerable under-platform hardware components. A majority of turbine rim seal research has sought to identify methods of improving sealing technologies and understanding the physical mechanisms that drive ingress. While these studies directly support the design and analysis of advanced rim seal geometries and purge flow systems, the studies are limited in their applicability to real-time monitoring required for condition-based operation and maintenance. As operational hours increase for in-service engines, this lack of rim seal performance feedback results in progressive degradation of sealing effectiveness, thereby leading to reduced hardware life. To address this need for rim seal performance monitoring, the present study utilizes measurements from a one-stage turbine research facility operating with true-scale engine hardware at engine-relevant conditions. Time-resolved pressure measurements collected from the rim seal region are regressed with sealing effectiveness through the use of common machine learning techniques to provide real-time feedback of sealing effectiveness. Two modelling approaches are presented that use a single sensor to predict sealing effectiveness accurately over a range of two turbine operating conditions. Results show that an initial purely data-driven model can be further improved using domain knowledge of relevant turbine operations, which yields sealing effectiveness predictions within three percent of measured values.

Compressors↗