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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Virtual to Physical: Reinforcement Learning to Optimize SNS Particle Accelerator Controls

Complex accelerators must have control systems that can handle dynamic nonlinear environments. This makes traditional control methods unsuitable as they can struggle to adapt to these uncertainties. This provides an ideal environment for reinforcement learning algorithms as they are adaptable and generalizable. We present a reinforcement learning pipeline that can effectively handle the dynamics of a complex accelerator. We test and prove our pipelines capabilities on multiple environments including the Spallation Neutron Source (SNS) and the Beam Test Facility (BTF) at Oakridge National Lab (ORNL). Due to the limited time available to train an online algorithm like reinforcement learning on a real accelerator, we utilize a virtual twin accelerator (VIRAC) developed by ORNL to pretrain the policy and show its ability to converge in the virtual environment. We then test the adaptability of the pretrained RL model by applying it on the real accelerator and comparing the results. Utilizing our Scientific Optimization and Controls Toolkit (SOCT) and open-source standards such as Gymnasium we create and solve for a MEBT orbit correction problem in the SNS and an emittance maximization problem in the BTF. We show how Twin Delayed Deep Deterministic Policy Gradient (TD3) can solve this optimization environment in the virtual accelerator and transfer this policy onto the real accelerator for inference and model retraining. We show how reinforcement learning can be utilized as a control system for complex accelerators and provide a model pipeline for how an implementation performs and can be adapted to new accelerator control problems.

Kasparian, Armen [Thomas Jefferson National Accele↗
NASA NTRS2015

LDSD POST2 Simulation and SFDT-1 Pre-Flight Launch Operations Analyses

The Low-Density Supersonic Decelerator (LDSD) Project's first Supersonic Flight Dynamics Test (SFDT-1) occurred June 28, 2014. Program to Optimize Simulated Trajectories II (POST2) was utilized to develop trajectory simulations characterizing all SFDT-1 flight phases from drop to splashdown. These POST2 simulations were used to validate the targeting parameters developed for SFDT- 1, predict performance and understand the sensitivity of the vehicle and nominal mission designs, and to support flight test operations with trajectory performance and splashdown location predictions for vehicle recovery. This paper provides an overview of the POST2 simulations developed for LDSD and presents the POST2 simulation flight dynamics support during the SFDT-1 launch, operations, and recovery.

Bowes, Angela L.↗
NASA NTRS2005

Radiation Mitigation and Power Optimization Design Tools for Reconfigurable Hardware in Orbit

The Reconfigurable Hardware in Orbit (RHinO)project is focused on creating a set of design tools that facilitate and automate design techniques for reconfigurable computing in space, using SRAM-based field-programmable-gate-array (FPGA) technology. In the second year of the project, design tools that leverage an established FPGA design environment have been created to visualize and analyze an FPGA circuit for radiation weaknesses and power inefficiencies. For radiation, a single event Upset (SEU) emulator, persistence analysis tool, and a half-latch removal tool for Xilinx/Virtex-II devices have been created. Research is underway on a persistence mitigation tool and multiple bit upsets (MBU) studies. For power, synthesis level dynamic power visualization and analysis tools have been completed. Power optimization tools are under development and preliminary test results are positive.

French, Matthew↗
NASA NTRSDate not supplied

Joint Spectrum Access and Power Control in Air-Air Communications - A Deep Reinforcement Learning Based Approach

This paper considers the dynamic spectrum access and power control problem in a single-hop point-to-point Air-Air Communication Network (AACN). Due to spectrum scarcity, we assume the number of Aircraft-to-Aircraft (A2A) communication links is greater than that of the available channels, such that some communication links need to share the same channel, causing co-channel interference. We formulate the joint channel selection and power control optimization problem to maximize the Weighted Sum Spectral Efficiency (WSSE). A distributed and dynamic deep Q learning-based algorithm is proposed to find the optimal solution. Specifically, we design two different policies that are trained by conducting a trial-and-error scheme. Each communication link can achieve the optimal policy by exploiting the local information from its neighbors, and this distributive approach make it scalable to large networks. Finally, our experimental results demonstrate the effectiveness of the proposed solution in various AACN scenarios.

Zhe Wang↗
NASA NTRSDate not supplied

Joint Spectrum Access and Power Control in Air-Air Communications - A Deep Reinforcement Learning Based Approach

This paper considers the dynamic spectrum access and power control problem in a single-hop point-to-point Air-Air Communication Network (AACN). Due to spectrum scarcity, we assume the number of Aircraft-to-Aircraft (A2A) communication links is greater than that of the available channels, such that some communication links need to share the same channel, causing co-channel interference. We formulate the joint channel selection and power control optimization problem to maximize the Weighted Sum Spectral Efficiency (WSSE). A distributed and dynamic deep Q learning-based algorithm is proposed to find the optimal solution. Specifically, we design two different policies that are trained by conducting a trial-and-error scheme. Each communication link can achieve the optimal policy by exploiting the local information from its neighbors, and this distributive approach make it scalable to large networks. Finally, our experimental results demonstrate the effectiveness of the proposed solution in various AACN scenarios.

Zhe Wang↗
DOE OSTI2023

Data efficiency and extrapolation trends in neural network interatomic potentials

Abstract Recently, key architectural advances have been proposed for neural network interatomic potentials (NNIPs), such as incorporating message-passing networks, equivariance, or many-body expansion terms. Although modern NNIP models exhibit small differences in test accuracy, this metric is still considered the main target when developing new NNIP architectures. In this work, we show how architectural and optimization choices influence the generalization of NNIPs, revealing trends in molecular dynamics (MD) stability, data efficiency, and loss landscapes. Using the 3BPA dataset, we uncover trends in NNIP errors and robustness to noise, showing these metrics are insufficient to predict MD stability in the high-accuracy regime. With a large-scale study on NequIP, MACE, and their optimizers, we show that our metric of loss entropy predicts out-of-distribution error and data efficiency despite being computed only on the training set. This work provides a deep learning justification for probing extrapolation and can inform the development of next-generation NNIPs.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Experimental evaluation of dynamic data allocation strategies in a distributed database with changing workloads

Traditionally, allocation of data in distributed database management systems has been determined by off-line analysis and optimization. This technique works well for static database access patterns, but is often inadequate for frequently changing workloads. In this paper we address how to dynamically reallocate data for partionable distributed databases with changing access patterns. Rather than complicated and expensive optimization algorithms, a simple heuristic is presented and shown, via an implementation study, to improve system throughput by 30 percent in a local area network based system. Based on artificial wide area network delays, we show that dynamic reallocation can improve system throughput by a factor of two and a half for wide area networks. We also show that individual site load must be taken into consideration when reallocating data, and provide a simple policy that incorporates load in the reallocation decision.

Brunstrom, Anna↗
NASA NTRS2019

High-Fidelity Multidisciplinary Sensitivity Analysis Framework for Multipoint Rotorcraft Optimization

A multidisciplinary, gradient-based sensitivity-analysis methodology is evaluated for optimization of rotorcraft configurations. The tightly coupled discipline models include physics-based fluid dynamics and rotorcraft comprehensive analysis. A discretely-consistent adjoint method accounts for sensitivities of the unsteady flow and unstructured, dynamic, over set grids, while sensitivities of structural responses to aerodynamic loads are computed using a complex-variable method. The methodology is applied to optimize the shape of UH-60A Blackhawk helicopter blades for hover and forward flight conditions. The objective of the multipoint design is to simultaneously increase the rotorcraft figure of merit in a hover flight and reduce the rotor power in a forward flight. Trimmed loose-coupling solutions for the baseline configuration are used to initiate the tight-coupling multidisciplinary analysis. Target thrust and rolling and pitching moments are enforced as optimization constraints. The optimized configuration improves the optimization metrics at both design points. The improved performance and all constraints are maintained over many revolutions beyond the optimization interval, satisfying the required flight conditions. Computational cost of the optimization cycle is assessed in a high-performance computing environment and found affordable for design of rotorcraft in general level-flight conditions.

Wang, Li↗
NASA NTRS1992

Model reduction using new optimal Routh approximant technique

An optimal Routh approximant of a single-input single-output dynamic system is a reduced-order transfer function of which the denominator is obtained by the Routh approximation method while the numerator is determined by minimizing a time-response integral-squared-error (ISE) criterion. In this paper, a new elegant approach is presented for obtaining the optimal Routh approximants for linear time-invariant continuous-time systems. The approach is based on the Routh canonical expansion, which is a finite-term orthogonal series of rational basis functions, and minimization of the ISE criterion. A procedure for combining the above approach with the bilinear transformation is also presented in order to obtain the optimal bilinear Routh approximants of linear time-invariant discrete-time systems. The proposed technique is simple in formulation and is amenable to practical implementation.

Hwang, Chyi↗
DOE OSTI2025

Physics-informed Deep Reinforcement Learning-based Control in Power systems

Incorporating physics information into the deep reinforcement learning (DRL) process is a promising approach for addressing the challenges faced in learning-based control design problems for physical systems. Power grid dynamics, being a physical system, adheres to specific physical laws, constraints, as well as operational and control rules. Therefore, consideration of such physics-based law improves the learning process drastically. In general, traditional grid control schemes rely on rule-based mechanisms that cannot adapt to changing operating conditions. To improve the adaptability and computation time, recent research has seen a surge of DRL-based applications in power grid control. A generic DRL-based control design imposes the system performance requirements through the design of reward functions. In some cases, some of the important physics information is injected through this reward function. However, due to the complex dynamics and large state-action space, learning an optimal DRL policy often becomes challenging. Inspired by the latest developments in general machine learning (ML) research, power system researchers have been investigating more direct ways of incorporating physics knowledge into DRL training. This chapter specifically focuses on these aspects of physics-informed DRL designs in grid control. It discusses the significance, applications, research gaps, and open problems that need to be addressed in future research.

artificial intelligence, machine learning↗
DOE OSTI2022

express: Extensible, high-level workflows for swifter ab initio materials modeling

In this work, we introduce an open-source Julia project, express, an extensible, lightweight, high-throughput, high-level workflow framework that aims to automate ab initio calculations for the materials science community. express is shipped with well-tested workflow templates, including structure optimization, equation of state (EOS) fitting, phonon spectrum (lattice dynamics) calculation, and thermodynamic property calculation in the framework of the quasi-harmonic approximation (QHA). It is designed to be highly modularized so that its components can be reused across various occasions, and customized workflows can be built on top of that. Users can also track the status of workflows in real-time, and rerun failed jobs thanks to the data lineage feature express provides. Finally, two working examples, i.e., all workflows applied to lime and akimotoite, are also presented in the code and this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molten-salt-mediated carbon dioxide capture and superequilibrium utilization with ethane oxidative dehydrogenation

Existing CO 2 -mediated oxidative dehydrogenation (CO 2 -ODH) of ethane has yet to demonstrate >60% single-pass CO yield due to the intrinsic equilibrium limitations. We report a unique approach with mixed molten carbonates as a reaction medium for CO 2 -ODH, which strategically partitions the CO 2 -ODH reactions into gas and molten-salt phases and facilitates integrated CO 2 capture from power plant flue gases. An 89% CO yield was achieved at 770°C, doubling the equilibrium limitation of conventional CO 2 -ODH. The high CO yield in turn enhances ethylene formation. Further characterizations confirmed that molten-salt mediated ODH (MM-ODH) proceeds through a gas-phase cracking and molten-salt mediated reverse water-gas-shift reaction pathway. Based on this understanding, thermodynamic analysis and ab initio molecular dynamics simulations were conducted to develop general principles to optimize the molten-salt reaction medium. Process analyses confirm that MM-ODH has the potential to be significantly more efficient for CO 2 capture and utilization than conventional CO 2 -ODH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO 3

The high-temperature spin and electronic transitions in LaCoO 3 have recently been leveraged to create neuromorphic (brain-inspired) devices. While these devices have shown the potential for impactful functionality in next-generation computing systems, the nanoscale dynamics of the spin and electronic transitions that underlie their operation are not well understood. Inhomogeneities related to interfaces, electrode contacts, strain, and crystal defects can all affect device performance, making nanoscale characterization of the transitions essential for producing consistent and reliable devices. Here, we demonstrate the first nanoscale in situ measurement of the spin transition in LaCoO 3 at device-relevant temperatures (25–325 °C) over length scales of tens of nanometers using STEM-EELS. This measurement is enabled by an Al 2 O 3 coating, which prevents unwanted reduction of the LaCoO 3 specimen at high temperature and vacuum. The detailed understanding of LaCoO 3 transition dynamics enabled by such measurements will be crucial for optimizing LaCoO 3 -based neuromorphic devices and increasing reliability for real-world application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Light-induced electron spin qubit coherences in the purple bacteria reaction center protein

Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications. The bacterial RC (bRC) provides an experimental system for exploring quantum effects in the SCRP P 865 + Q A − , where P 865 , a special pair of bacteriochlorophylls, is the primary donor, and Q A is the primary quinone acceptor. In this study, we focus on understanding how local molecular environments and isotopic substitution, particularly deuteration, influence spin coherence times (T M ). Using high-frequency electron paramagnetic resonance (EPR) spectroscopy, we observed that the local environment surrounding P 865 and Q A plays a significant role in determining T M . Our findings show that while deuteration led to a modest increase in T M , particularly at low temperatures, but the effect was substantially smaller than predicted by classical nuclear spin diffusion alone. This result is in contrast to our previous study of the photosystem I (PSI) RC, where no increase in T M was observed upon deuteration. Theoretical modeling identified several methyl groups at key distances from the spin centers of both bRC and PSI, and methyl group tunneling at low temperatures has been previously suggested as a mechanism for enhanced spin decoherence. Additionally, our study revealed a strong dependence of spin coherence on the orientation of the external magnetic field, highlighting the influence of the protein microenvironment on spin dynamics. In conclusion, these results offer new insights for optimizing coherence times in quantum system design for quantum information science and sensing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structured illumination with thermal imaging (SI-TI): A dynamically reconfigurable metrology for parallelized thermal transport characterization

The recent push for the “materials by design” paradigm requires synergistic integration of scalable computation, synthesis, and characterization. Among these, techniques for efficient measurement of thermal transport can be a bottleneck limiting the experimental database size, especially for diverse materials with a range of roughness, porosity, and anisotropy. Traditional contact thermal measurements have challenges with throughput and the lack of spatially resolvable property mapping, while non-contact pump-probe laser methods generally need mirror smooth sample surfaces and also require serial raster scanning to achieve property mapping. Here, we present structured illumination with thermal imaging (SI-TI), a new thermal characterization tool based on parallelized all-optical heating and thermometry. Experiments on representative dense and porous bulk materials as well as a 3D printed thermoelectric thick film (~50 μm) demonstrate that SI-TI (1) enables paralleled measurement of multiple regions and samples without raster scanning; (2) can dynamically adjust the heating pattern purely in software, to optimize the measurement sensitivity in different directions for anisotropic materials; and (3) can tolerate rough (~3 μm) and scratched sample surfaces. Here, this work highlights a new avenue in adaptivity and throughput for thermal characterization of diverse materials.

42 ENGINEERING↗