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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

White-light Interferometry using a Channeled Spectrum: II. Calibration Methods, Numerical and Experimental Results

In the companion paper, [Appl. Opt. 46, 5853 (2007)] a highly accurate white light interference model was developed from just a few key parameters characterized in terms of various moments of the source and instrument transmission function. We develop and implement the end-to-end process of calibrating these moment parameters together with the differential dispersion of the instrument and applying them to the algorithms developed in the companion paper. The calibration procedure developed herein is based on first obtaining the standard monochromatic parameters at the pixel level: wavenumber, phase, intensity, and visibility parameters via a nonlinear least-squares procedure that exploits the structure of the model. The pixel level parameters are then combined to obtain the required 'global' moment and dispersion parameters. The process is applied to both simulated scenarios of astrometric observations and to data from the microarcsecond metrology testbed (MAM), an interferometer testbed that has played a prominent role in the development of this technology.

phase correction↗
DOE OSTI2024

Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms

This study examines the effectiveness of generative models in drug discovery, material science, and polymer science, aiming to overcome constraints associated with traditional inverse design methods relying on heuristic rules. Generative models generate synthetic data resembling real data, enabling deep learning model training without extensive labeled datasets. They prove valuable in creating virtual libraries of molecules for material science and facilitating drug discovery by generating molecules with specific properties. While generative adversarial networks (GANs) are explored for these purposes, mode collapse restricts their efficacy, limiting novel structure variability. To address this, we introduce a masked language model (LM) inspired by natural language processing. Although LMs alone can have inherent limitations, we propose a hybrid architecture combining LMs and GANs to efficiently generate new molecules, demonstrating superior performance over standalone masked LMs, particularly for smaller population sizes. This hybrid LM-GAN architecture enhances efficiency in optimizing properties and generating novel samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum machine learning for chemistry and physics

Machine learning (ML) has emerged as a formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In recent years, it is safe to conclude that ML and its close cousin, deep learning (DL), have ushered in unprecedented developments in all areas of physical sciences, especially chemistry. Not only classical variants of ML, even those trainable on near-term quantum hardwares have been developed with promising outcomes. Such algorithms have revolutionized materials design and performance of photovoltaics, electronic structure calculations of ground and excited states of correlated matter, computation of force-fields and potential energy surfaces informing chemical reaction dynamics, reactivity inspired rational strategies of drug designing and even classification of phases of matter with accurate identification of emergent criticality. In this review we shall explicate a subset of such topics and delineate the contributions made by both classical and quantum computing enhanced machine learning algorithms over the past few years. We shall not only present a brief overview of the well-known techniques but also highlight their learning strategies using statistical physical insight. The objective of the review is not only to foster exposition of the aforesaid techniques but also to empower and promote cross-pollination among future research in all areas of chemistry which can benefit from ML and in turn can potentially accelerate the growth of such algorithms.

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

Transfer learning nonlinear plasma dynamic transitions in low dimensional embeddings via deep neural networks

Deep learning algorithms provide a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. Development of novel, data-driven model reduction methods, coupled with detection of abnormal modes with plasma physics, opens a unique opportunity to identify plasma instabilities through automated construction of parsimonious models that can be tuned to balance accuracy and cost. Our fusion transfer learning (FTL) model demonstrates success in rapidly reconstructing nonlinear kink mode structures by learning from a limited amount of nonlinear simulation data. The knowledge transfer process leverages a pre-trained neural encoder–decoder network, initially trained on linear simulations, to effectively capture nonlinear dynamics. The low-dimensional embeddings extract the coherent structures of interest, while preserving the inherent dynamics of the complex system. Experimental results highlight FTL’s capacity to capture transitional behaviors and dynamical features in plasma dynamics—a task often challenging for conventional methods. The model developed in this study is generalizable and can be extended broadly through transfer learning to address various magnetohydrodynamics modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

On-orbit parametric identification methodology

On-orbit system identification (ID) of large space systems is essential for various reasons. For example, the complex composite structure of such systems cannot be ground-tested; their structural dynamic characteristics must be known accurately in order to accomplish active control. Furthermore, such capability can be used to characterize/identify various disturbances. The identification process is consisted of four principal elements: (1) modeling, (2) the estimation algorithm, (3) input system, and (4) measurement system. These elements are highly correlated and all togerher determine the success of the identification problem. Accurate modeling of large space systems is the most important element of the identification process. Large flexible structures are non-linear and infinite dimensional systems with highly coupled parameters and low frequency packed modes. In addition, these systems are subject to stochastic and time-varying disturbances, they have structural parameters which can vary due to on-orbit assembly deployment, and operations. These systems are generally; however, represented by constant coefficient, finite order differential equations. The non-linearities, coupling and noise effects are also often neglected. Moreover, identification experiment designs which lead to highly complex optimization problems usually require the simultaneous choice of ID algorithm, sensor, and actuator type and placement. On-orbit bandwidth and power restrictions on excitation, limited data window, and restrictions on sensor/actuator type, placement and number, has led to practical questions of implementations.

Hadaegh, Fred Y.↗
NASA NTRS2002

Passive and Active Microwave Remote Sensing of Precipitation and Latent Heating Distributions in the Tropics from TRMM

Passive and active microwave remote sensing data are analyzed to identify signatures of precipitation and vertical motion in tropical convection. A database of cloud/radiative model simulations is used to quantify surface rain rates and latent heating profiles that are consistent with these signatures. At satellite footprint-scale (approximately 10 km), rain rate and latent heating estimates are subject to significant random errors, but by averaging the estimates in space and time, random errors are substantially reduced, Bias errors have been minimized by improving the microphysics in the supporting cloud/radiative model simulations, and by imposing a consistent definition of remotely-sensed and model-simulated convective/stratiform rain coverage. Remotely-sensed precipitation and latent heating distributions in the tropics are derived from Tropical Rainfall Measuring Mission (TRMM) and Special Sensor Microwave/ Imager (SSM/ I) sensor data. The prototype Version 6 TRMM passive microwave algorithm typically yields average heating profiles with maxima between 6 and 7 km altitude for organized mesoscale convective systems. Retrieved heating profiles for individual convective systems are compared to coincident estimates based upon a combination of dual-Doppler radar and rawinsonde data. Also, large-scale latent heating distributions are compared to estimates derived from a simpler technique that utilizes observations of surface rain rate and stratiform rain proportion to infer vertical heating structure. Results of these tests will be presented at the conference.

Olson, William S.↗
NASA NTRS2009

Combining Satellite Microwave Radiometer and Radar Observations to Estimate Atmospheric Latent Heating Profiles

In this study, satellite passive microwave sensor observations from the TRMM Microwave Imager (TMI) are utilized to make estimates of latent + eddy sensible heating rates (Q1-QR) in regions of precipitation. The TMI heating algorithm (TRAIN) is calibrated, or "trained" using relatively accurate estimates of heating based upon spaceborne Precipitation Radar (PR) observations collocated with the TMI observations over a one-month period. The heating estimation technique is based upon a previously described Bayesian methodology, but with improvements in supporting cloud-resolving model simulations, an adjustment of precipitation echo tops to compensate for model biases, and a separate scaling of convective and stratiform heating components that leads to an approximate balance between estimated vertically-integrated condensation and surface precipitation. Estimates of Q1-QR from TMI compare favorably with the PR training estimates and show only modest sensitivity to the cloud-resolving model simulations of heating used to construct the training data. Moreover, the net condensation in the corresponding annual mean satellite latent heating profile is within a few percent of the annual mean surface precipitation rate over the tropical and subtropical oceans where the algorithm is applied. Comparisons of Q1 produced by combining TMI Q1-QR with independently derived estimates of QR show reasonable agreement with rawinsonde-based analyses of Q1 from two field campaigns, although the satellite estimates exhibit heating profile structure with sharper and more intense heating peaks than the rawinsonde estimates. 2

Grecu, Mircea↗
NASA NTRS2018

Retrievals of Cloud Droplet Size from the Research Scanning Polarimeter Data: Validation Using In Situ Measurements

We present comparisons of cloud droplet size distributions (DSDs) retrieved from the research scanning polarimeter (RSP) data with correlative in situ measurements made during the North Atlantic Aerosols and Marine Ecosystems Study (NAAMES). The airborne portion of this field experiment was based out of St. John's airport, Newfoundland, Canada with the focus of this paper being on the deployment in May - June 2016. RSP was onboard the NASA C-130 aircraft together with an array of in situ and other remote sensing instrumentation. The RSP is an along-track scanner measuring the polarized and total reflectance in 9 spectral channels. Its uniquely high angular resolution allows for characterization of liquid water droplet sizes using the rainbow structure observed in the polarized reflectance over the scattering angle range from 135 to 165.degrees The rainbow is dominated by single scattering of light by cloud droplets, so its structure is characteristic specifically of the droplet sizes at cloud top (within unit optical depth into the cloud, equivalent to approximately 50m). A parametric fitting algorithm applied to the polarized reflectance provides retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, the Rainbow Fourier Transform (RFT), which allows us to retrieve the droplet size distribution itself. The latter is important in the case of clouds with complex microphysical structure, or multiple layers of cloud, which result in multi-modal DSDs. During NAAMES the aircraft performed a number of flight patterns specifically designed for comparisons between remote sensing retrievals and in situ measurements. These patterns consisted of two flight segments above the same straight ground track. One of these segments was flown above clouds allowing for remote sensing measurements, while the other was near the cloud top where cloud droplets were sampled. We compare the DSDs retrieved from the RSP data with in situ measurements made by the Cloud Droplet Probe (CDP). The comparisons generally show good agreement (better than 1 micron for effective radius and in most cases better than 0.02 for effective variance) with deviations explainable by the position of the aircraft within the cloud, or by the presence of additional cloud layers between the cloud being sampled by the in situ instrumentation and the altitude of the remote sensing segment. In the latter case, the multi-modal DSDs retrieved from the RSP data were consistent with the multi-layer cloud structures observed in the correlative High Spectral Resolution Lidar (HSRL) profiles. The results of these comparisons provide a rare validation of polarimetric droplet size retrieval techniques, demonstrating their accuracy and robustness and the potential of satellite data of this kind on a global scale.

Remote Sensing↗
DOE OSTI2023

Advances in imaging, scattering, spectroscopy, and machine learning-aided approaches for multiscale characterization of cementitious systems

Recent progress in methods used in the multiscale characterization of cementitious systems is reviewed, focusing on advances in imaging, scattering, and spectroscopy. The review includes relevant applications and developments in machine learning and other data analytics approaches to enhance characterization. Developments in imaging using light and electron microscopy as well as x-ray (i.e., from synchrotron) methods are summarized. Updates include scanning electron microscopy (SEM), transmission electron microscopy (TEM), tomography, and holography. A critical overview of spectroscopy (e.g., MAS NMR, Raman) and scattering (e.g., neutron, x-ray, synchrotron x-ray) methods is provided, and the intersection of these with imaging is developed (e.g., Raman imaging). Additionally, the paper summarizes recent developments in and implementations of state-of-the-art machine-learning algorithms and data analytics methods for automated, systematic, and/or quantitative analyses of image data sets. The review considers but is not limited to the application of these methods for investigating the hydration and microstructure development of cement phases, low-carbon-footprint cements (e.g., limestone calcined clay cements, LC3), environmental interactions (e.g., ASR) and model systems. Finally, the present work provides a critical presentation of advances in characterization methods that link together the composition and multiscale structure of cementitious materials.

42 ENGINEERING↗
DOE OSTI2026

Toward an event-level analysis of hadron structure using differential programming

Reconstructing the internal properties of hadrons in terms of fundamental quark and gluon de- grees of freedom is a central goal in nuclear and particle physics. This effort lies at the core of major experimental programs, such as the Jefferson Lab 12 GeV program and the upcoming Electron-Ion Collider. A primary challenge is the inherent inverse problem: converting large-scale observational data from collision events into the fundamental QCD-defined densities that characterize the micro- scopic structure of hadronic systems. Recent advances in AI and machine learning have opened new avenues for addressing this challenge using deep learning techniques. A particularly promising direction is the integration of complex theoretical calculations and experimental simulations into a unified framework capable of reconstructing these densities directly from event-level information. In this document, we introduce a key algorithm called LOITS, which enables differentiable program- ming within such a framework, facilitating the use of AI/ML techniques to solve the inverse problem of QCF reconstruction at the event level.

Braga, Kevin [College of William and Mary, William↗
DOE OSTI2023

Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures

Exploring mesoscopic physical phenomena has always been a challenge for brute-force all-atom molecular dynamics simulations. Although recent advances in computing hardware have improved the accessible length scales, reaching mesoscopic timescales is still a significant bottleneck. Coarse-graining of all-atom models allows robust investigation of mesoscale physics with a reduced spatial and temporal resolution but preserves desired structural features of molecules, unlike continuum-based methods. Here, we present a hybrid bond-order coarse-grained forcefield (HyCG) for modeling mesoscale aggregation phenomena in liquid–liquid mixtures. The intuitive hybrid functional form of the potential offers interpretability to our model, unlike many machine learning based interatomic potentials. We parameterize the potential with the continuous action Monte Carlo Tree Search (cMCTS) algorithm, a reinforcement learning (RL) based global optimizing scheme, using training data from all-atom simulations. The resulting RL-HyCG correctly describes mesoscale critical fluctuations in binary liquid–liquid extraction systems. cMCTS, the RL algorithm, accurately captures the mean behavior of various geometrical properties of the molecule of interest, which were excluded from the training set. The developed potential model along with the RL-based training workflow could be applied to explore a variety of other mesoscale physical phenomena that are typically inaccessible to all-atom molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tardigrade (NA-22 Quarterly Report)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 24 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tardigrade (Quarterly Report Q1 FY2022)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 27 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microreactor Automated Control System - Digital Twin Models and Advanced Control Systems Updates

Automation of control systems is expected to be important in the economic and safe operation of microreactors. Therefore, there is a need to develop and demonstrate automated control for microreactors, along with the development of testbeds for this purpose. This report provides updates on the status of a nonnuclear microreactor automated control system (MACS)—a real-time, hardware-in-the-loop testbed for non-nuclear testing of microreactor control system automation. A real-time hardware-in-the-loop testbed incorporates the realistic dynamics of physical systems into control system development and testing. The collaborative effort between Oak Ridge National Laboratory (ORNL) and Idaho National Laboratory (INL) resulted in the development of a prototypic microreactor plant-level digital twin that includes the reactor and a balance of plant system. Advanced control strategies were incorporated to demonstrate testing of control automation solutions. The gRPC communication protocol, which was implemented in the hardware-in-the-loop testbed by INL, was coupled to a digital twin model developed using the TRANsient Simulation Framework of Reconfigurable Models (TRANSFORM) library in Modelica. This digital twin simulation was tested with the ViBRANT hardware for realistic feedback and visual representation of control action in real time. A modular Python client structure was developed to manage functional mock-up unit-based simulation and real-time gRPC communication. Hardware-in-the-loop testing indicated that the modeled reactor—a natural-convection, molten-salt coolant loop configuration—responds well to control of drum positioning for modulation of reactor core power, as well as system-level control and downstream demand changes. Ongoing research is focused on integrating additional control algorithms that utilize data from newly included sensors within the MACS hardware testbed, as well as demonstrating and assessing the performance of the different automated control algorithms on multiple additional operational scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1982

Some statistical performance characteristics of the 'ITD' modal identification algorithm

Performance characteristics of the Ibrahim time-domain algorithms are examined on a statistical basis. The method uses multiple free-response measurements from a test structure directly in the time domain, and displays varying accuracy, with the strongly excited modes identified most accurately and the weakly excited modes least accurately. Sets of computer-generated free-response functions for a simple 1-mode model are used to study the identification performance for several basic changes in the modal characteristics of the data, the user-selectable analysis constants, and the level of superimposed noise. Results indicate the existence of a direct and often linear effect of noise on the scatter of identified parameters, and good identification is maintained at the 1% noise level down to the point in frequency when only 1/4-cycle of data is analyzed.

Pappa, R. S.↗
NASA NTRS1991

Analysis of objects in binary images

Digital image processing techniques are typically used to produce improved digital images through the application of successive enhancement techniques to a given image or to generate quantitative data about the objects within that image. In support of and to assist researchers in a wide range of disciplines, e.g., interferometry, heavy rain effects on aerodynamics, and structure recognition research, it is often desirable to count objects in an image and compute their geometric properties. Therefore, an image analysis application package, focusing on a subset of image analysis techniques used for object recognition in binary images, was developed. This report describes the techniques and algorithms utilized in three main phases of the application and are categorized as: image segmentation, object recognition, and quantitative analysis. Appendices provide supplemental formulas for the algorithms employed as well as examples and results from the various image segmentation techniques and the object recognition algorithm implemented.

Leonard, Desiree M.↗
NASA NTRS1992

Laboratory for Engineering Man/Machine Systems (LEMS): System identification, model reduction and deconvolution filtering using Fourier based modulating signals and high order statistics

Several important problems in the fields of signal processing and model identification, such as system structure identification, frequency response determination, high order model reduction, high resolution frequency analysis, deconvolution filtering, and etc. Each of these topics involves a wide range of applications and has received considerable attention. Using the Fourier based sinusoidal modulating signals, it is shown that a discrete autoregressive model can be constructed for the least squares identification of continuous systems. Some identification algorithms are presented for both SISO and MIMO systems frequency response determination using only transient data. Also, several new schemes for model reduction were developed. Based upon the complex sinusoidal modulating signals, a parametric least squares algorithm for high resolution frequency estimation is proposed. Numerical examples show that the proposed algorithm gives better performance than the usual. Also, the problem was studied of deconvolution and parameter identification of a general noncausal nonminimum phase ARMA system driven by non-Gaussian stationary random processes. Algorithms are introduced for inverse cumulant estimation, both in the frequency domain via the FFT algorithms and in the domain via the least squares algorithm.

Pan, Jianqiang↗