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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 343 records · Page 19

On the Feasibility of Efficient Multiamplitude Communication

Bandwidth constraints in earth-satellite communication systems force consideration of uncoded M-ary modulation to obtain increased data rates. M-ary phase shift keying (MPSK) at first glance seems most promising because of the high transmitter efficiency achieved through Class C operation. Multiple phase-and-amplitude modulation candidates such as quadrature amplitude shift keying (QASK) appear less promising because the transmitter must operate at lower efficiency (in linear or multimode operation). However, initial studies indicate that QASK offers significant raw dc-power savings over MPSK, despite the reduced transmitter efficiency. For example, at S-band both solid-state and traveling wave tube (TWT) QASK transmitters can provide a 3-dB average dc-power savings over comparable 16-ary phase shift keying (PSK) for the same bit rate and error probability. The reason for this savings is that QASK requires much less average signal-to-noise ratio than 16-ary PSK for the same error rate.

Smith, J. G.↗

An Integrated Deposition and Passivation Strategy for Controlled Crystallization of 2D/3D Halide Perovskite Films

Abstract This work introduces a simplified deposition procedure for multidimensional (2D/3D) perovskite thin films, integrating a phenethylammonium chloride (PEACl)‐treatment into the antisolvent step when forming the 3D perovskite. This simultaneous deposition and passivation strategy reduces the number of synthesis steps while simultaneously stabilizing the halide perovskite film and improving the photovoltaic performance of resulting solar cell devices to 20.8%. Using a combination of multimodal in situ and additional ex situ characterizations, it is demonstrated that the introduction of PEACl during the perovskite film formation slows down the crystal growth process, which leads to a larger average grain size and narrower grain size distribution, thus reducing carrier recombination at grain boundaries and improving the device's performance and stability. The data suggests that during annealing of the wet film, the PEACl diffuses to the surface of the film, forming hydrophobic (quasi‐)2D structures that protect the bulk of the perovskite film from humidity‐induced degradation.

2D/3D perovskites↗

Pilot-Scale Validation of Distributed Optical Fiber Sensors for Underground Pipeline Monitoring

Monitoring parameters such as hoop strain, pressure, and acoustic vibrations is key to detecting potential leaks, intrusions, or structural issues. Distributed optical fiber sensor (DOFS) systems provide a compelling solution for continuous, real-time monitoring over long distances. This paper details the development and pilot-scale implementation of DOFS systems for underground pipeline monitoring, evolving from a proof-of-concept stage. Multiple custom-designed DOFS interrogator units—such as optical frequency-domain reflectometry (OFDR), Brillouin optical time-domain analysis (BOTDA), and multimodal interferometer-based fiber acoustic sensor systems were tested to measure the key parameters, such as hoop strain, pipe pressure, surrounding soil temperature, and acoustic vibrations. The underground product pipeline’s outer diameter is 30 inches, the wall thickness is 1.28 inches, and 3 feet deep from the surface. The fiber deployment strategies and sensing data acquisition methods for these systems are discussed. The results demonstrate the effectiveness of DOFS in detecting hoop strain, temperature changes, and acoustic vibrations, showcasing their potential for real-time monitoring and enhancing pipeline safety. These findings from pilot-scale testing offer valuable insights into advancing pipeline monitoring technologies and improving the reliability of underground pipeline systems.

fiber optic sensors↗

Predicted and measured effects of pressure and crossflow velocity on composite propellant burning rate

A theoretical model for prediction of burning rates of composite (ammonium perchlorate oxidizer) solid propellants as a function of pressure and crossflow velocity was developed. Included in this model is the capability for treatment of multimodal oxidizer particle sizes and metalized formulations. In addition, an experimental device for measuring the effects of crossflow velocity on propellant burning rate was developed and used to characterize a series of AP/HTPB propellants with systematically varied formulation parameters. Model predictions of zero-crossflow burning rate versus pressure characteristics were found to be in agreement with data, while the agreement between erosive burning predictions and data is, in general, good. The experimental data indicate that the dominant factor influencing the sensitivity of composite propellant burning rate to crossflow is the base (no-crossflow) burning rate versus pressure characteristics of the propellant (lower base burning rate leading to increased crossflow sensitivity). Finally, the model was used to examine the effects of motor scaling on erosive burning: erosive burning is predicted to diminish with increasing motor size, in agreement with experience.

King, M. K.↗

Multimode-Guided-Wave Ultrasonic Scanning of Materials

Two documents discuss a method of characterizing advanced composite materials by use of multimode-guided ultrasonic waves. A transmitting transducer excites modulated (e.g., pulsed) ultrasonic waves at one location on a surface of a plate specimen. The waves interact with microstructure and flaws as they propagate through the specimen to a receiving transducer at a different location. The received signal is analyzed to determine the total (multimode) ultrasonic response of the specimen and utilize this response to evaluate microstructure and flaws. The analysis is performed by software that extracts parameters of signals in the time and frequency domains. Scanning is effected by using computer-controlled motorized translation stages to position the transducers at specified pairs of locations and repeating the measurement, data-acquisition, and data-analysis processes at the successive locations. One document presents results of a scan of a specimen containing a delamination.

Roth, Don↗

Bridging multimodal microscopy for advanced characterization on nuclear fuel using machine learning

Uranium dioxide (UO 2 ), widely used as driver fuel in light water reactors, experiences microstructure and property change by nuclear fission reactions. This paper bridges the characterization of fresh UO 2 fuel at different length scales, serving as a baseline for future post irradiation examination of irradiated UO 2 fuel. To characterize the microstructural change of nuclear fuel, modern approaches cover a wide range of length scales through different characterization techniques, such as mm scale for Synchrotron-based X-ray computed tomography (SXCT) and microscale for focused ion beam (FIB) and scanning electron microscopy (SEM). It is challenging to bridge the data and knowledge of the same sample in different length scales. This paper proposed a deep learning framework leveraging transfer learning to detect microstructural defects, trained from a sparse FIB, SEM, and SXCT images. The proposed model achieved superior performance in defect segmentation on multiscale microscopic data compared to four of the latest deep learning models.

36 MATERIALS SCIENCE↗

Disentangling the chemistry of Australian plant exudates from a unique historical collection

For thousands of years, the unique physicochemical properties of plant exudates have defined uses in material culture and practical applications. Native Australian plant exudates, including resins, kinos, and gums, have been used and continue to be used by Aboriginal Australians for numerous technical and cultural purposes. A historic collection of well-preserved native Australian plant exudates, assembled a century ago by plant naturalists, gives a rare window into the history and chemical composition of these materials. Here we report the full hierarchical characterization of four genera from this collection, Xanthorrhoea, Callitris, Eucalyptus, and Acacia, from the local elemental speciation, to functional groups and main molecular markers. We use high-resolution X-ray Raman spectroscopy (XRS) to achieve bulk-sensitive chemical speciation of these plant exudates, including insoluble, amorphous, and cross-linked fractions, without the limitation of invasive and/or surface specific methods. Combinatorial testing of the XRS data allows direct classification of these complex natural species as terpenoid, aromatic, phenolic, and polysaccharide materials. Differences in intragenera chemistry was evidenced by detailed interpretation of the XRS spectral features. We complement XRS with Fourier-transform infrared (FT-IR) spectroscopy, gas chromatography–mass spectrometry (GC-MS), and pyrolysis–GC-MS (Py-GC-MS). This multimodal approach provides a fundamental understanding of the chemistry of these natural materials long used by Aboriginal Australian peoples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A light intensity function suitable for multimode fiber-optic sensors

Intensity distribution functions on the image plane are derived under the assumption that a multimode optic fiber is illuminated by a light source which can be approximated by infinite uniangular beams carrying equal power. The application of the theory to a Lambertian source is discussed. Experimental results, based on the observation of the light intensity distribution imaged on an opaque screen and collected by a digital camera, are presented. The theoretical and experimental data are compared to verify that the intensity function is an accurate model for describing the realistic approach to sensor design. The limitations of the uniangular and uniform intensity distribution models are discussed on the basis of theoretical and experimental results.

He, Gang↗

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

36 MATERIALS SCIENCE↗

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

97 MATHEMATICS AND COMPUTING↗

Accelerating Markov Chain Monte Carlo sampling with diffusion models

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global fit of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalising flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

30 cm Drop Modeling

This report documents modeling and analysis of the 30 cm cask drop scenario for spent nuclear fuel (SNF) casks. The 30 cm drop is an important hypothetical dynamic loading scenario for SNF because 10 CFR 71.71 defines testing requirements for normal conditions of transport (NCT) of SNF packages, and free drop (of 30 cm for the heaviest packages) tests are required. Other NCT conditions specified in 10 CFR 71.71 include vibration normally incident to transport, and DOE’s multimodal transportation test (MMTT) and related analysis concluded that mechanical shock and vibration incident to transportation is negligible for SNF structural integrity because the loads are so small. The SNF cask 30 cm drop has a lot more potential to cause damage to SNF because the kinetic energy and momentum of the system is stopped abruptly during the cask impact event. Test data and model predictions both agree that the SNF assemblies are subjected to significantly higher loads in a cask drop event than normal transportation shock and vibration, but currently there is no reason to expect gross structural damage of the fuel assembly or widespread SNF cladding failure as a result of a 30 cm cask drop. The ultimate goal of this work is to close the knowledge gap of stress profiles on SNF rods and fuel assembly components during NCT, and this report describes the progress toward reaching that goal as well as a plan for finishing this work over the next year or two. Key remaining tasks include refining the fuel assembly model, calculating a selection of specific fuel assembly cases to populate the damage model, and finally running the damage model to predict the full general response range of 30 cm drop loads on SNF.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Predicting and Controlling Corrosion (Abbreviated Final Report)

Corrosion accumulates significant replacement costs in the transportation, utility, manufacturing, and infrastructure sectors. It also underpins several of LLNL’s core missions in stockpile stewardship, defense, and energy security. Whereas most corrosion and aging models are empirically parameterized to describe well-defined conditions late in the reaction, the factors that determine the early stages of corrosion—during which mitigation could be most impactful— are poorly understood. This project addressed the critical need for new approaches to predict the kinetics of corrosion initiation based on firm physical and chemical understanding. The activities encompassed degradation of relevant metals in both hydrogen-rich and environmental corrosion scenarios. The team integrated state-of-the-art multiscale simulation, in situ characterization, and data science within three technical thrusts: hydriding of Ti alloys; aqueous corrosion of Al and Ni-Cr alloys; and degradation of additively manufactured 316L stainless steel. In each case, novel capabilities were developed to identify and track the impacts of key atomistic, compositional, and microstructural features on the metal systems. For hydriding, protocols were developed to tightly integrate multiscale models, advanced multimodal characterization, and machine learning to determine how hydrogen interacts with native passivating surface oxides and nucleates new undesired phases, shedding new light on the critical role of grain boundaries, interfaces, and atomically disordered regions. For aqueous corrosion, the project demonstrated methods to predict dissolution rates of metal surfaces in corrosive solutions, to measure and understand microstructural and grain orientation effects on corrosion susceptibility, and to investigate competing growth and dissolution kinetics of surface oxides. For additively manufactured metals, analysis using state-of-the-art microscopy techniques revealed the role of specific heterogeneities invoked during laser processing, including cellular structure, dislocations, and precipitates, on corrosion susceptibility. In addition to new capabilities and understanding, the project provided an avenue for workforce development, as well as key partnerships with stakeholders in corrosion science.

08 HYDROGEN↗

Multimodality stereotactic brain tissue identification: the NASA smart probe project

Real-time tissue identification can benefit procedures such as stereotactic brain biopsy, functional neurosurgery and brain tumor excision. Optical scattering spectroscopy has been shown to be effective at discriminating cancer from noncancerous conditions in the colon, bladder and breast. The NASA Smart Probe extends the concept of 'optical biopsy' by using neural network techniques to combine the output from 3 microsensors contained within a cannula 2. 7 mm in diameter (i.e. the diameter of a stereotactic brain biopsy needle). Experimental data from 5 rats show the clear differentiation between tissues such as brain, nerve, fat, artery and muscle that can be achieved with optical scattering spectroscopy alone. These data and previous findings with other modalities such as (1) analysis of the image from a fiberoptic neuroendoscope and (2) the output from a microstrain gauge suggest the Smart Probe multiple microsensor technique shows promise for real-time tissue identification in neurosurgical procedures. Copyright 2000 S. Karger AG, Basel.

Non-programmatic↗

Elucidating a dissolution–deposition reaction mechanism by multimodal synchrotron X-ray characterization in aqueous Zn/MnO 2 batteries

Aqueous Zn/MnO 2 batteries with their environmental sustainability and competitive cost, are becoming a promising, safe alternative for grid-scale electrochemical energy storage. Here, presented as a promising design principle to deliver a higher theoretical capacity, this work offers fundamental understanding of the dissolution–deposition mechanism of Zn/β-MnO 2 . A multimodal synchrotron characterization approach including three operando X-ray techniques (powder diffraction, absorption spectroscopy, and fluorescence microscopy) is coupled with elementally resolved synchrotron X-ray nano-tomography. Together they provide a direct correlation between structural evolution, reaction chemistry, and 3D morphological changes. Operando synchrotron X-ray diffraction and spectroscopy show a crystalline-to-amorphous phase transition. Quantitative modeling of the operando data by Rietveld refinement for X-ray diffraction and multivariate curve resolution (MCR) for X-ray absorption spectroscopy are used in a complementary fashion to track the structural and chemical transitions of both the long-range (crystalline phases) and short-range (including amorphous phases) ordering upon cycling. Scanning X-ray microscopy and full-field nano-tomography visualizes the morphology of electrodes at different electrochemical states with elemental sensitivity to spatially resolve the formation of the Zn- and Mn-containing phases. Overall, this work critically indicates that for Zn/MnO 2 aqueous batteries, the reaction pathways involving Zn–Mn complex formation upon cycling become independent of the polymorphs of the initial electrode and sheds light on the interplay among structural, chemical, and morphological evolution for electrochemically driven phase transitions.

36 MATERIALS SCIENCE↗

Resilient information and inference networks under mixed-trust sensing

With ubiquitous digitization, sensing, and computational intelligence deployed in increasingly more and broader domains, including critical infrastructure, potentially misleading and destabilizing effects of multimodal anomalies and adversarial behavior are growing in importance. Here, we develop randomized and reinforcement learning-based strategies for strategically recruiting and utilizing deployed (and, thus, vulnerable and potentially faulty and/or compromised) nodes from information and inference networks, while defending against adversaries that attempt to misguide assessments of inferred variables. Recognizing that, besides communication and other costs, sampling from any observable node can either provide true data or dangerously expose our inference to misinformation (without being easily distinguishable what actually happens), the proposed strategies proceed by progressively recruiting nodes and cautiously scaling their information contribution based on assumed, or, in our reinforcement learning approach, intelligently weighed trustworthiness, with the learning approach also considering network-wide, threat-inclusive risk/value tradeoffs. While avoiding the hardware, communication, analytical and computational burden of explicit redundancy, the proposed defensive schemes enable on-the-fly assessments of underlying processes, and system-wide situational awareness with demonstrable resilience against adversarial activities.

97 - MATHEMATICS AND COMPUTING↗

A Multifidelity and Multimodal Machine Learning Approach for Extracting Bonding Environments of Impurities and Dopants from X-ray Spectroscopies

Extended X-ray absorption fine structure (EXAFS) spectroscopy is crucial for determining the coordination environment of impurities and dopants; however, it requires difficult measurements. X-ray absorption near edge structure (XANES) spectroscopy and X-ray emission spectroscopy (XES) can be obtained easily but cannot be converted to determine structures. In this work we develop tools to map measured XANES to the EXAFS signal through machine learning, thereby facilitating the use of EXAFS structural-determination analyses on XANES data. Through the use of Deep Operator Networks (DeepONets), we are able to accurately predict the EXAFS spectrum between 6 and 14 Å -1 from the first 6 Å -1 (~100 eV) of the absorption spectrum of Cu 2+ substitutional defects in the Fe 3+ mineral hematite (a-Fe 2 O 3 ). This surprising finding implies that theoretical analyses of X-ray absorption spectra could be implemented that extract the same conclusions as high-quality EXAFS studies from spectra collected over a much smaller range of photon energies. To encourage similar efforts, the simulated x-ray spectra, machine learning, and fitting code is made publicly available.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Long-term Multimodal Recording Reveals Epigenetic Adaptation Routes in Dormant Breast Cancer Cells

Patients with estrogen receptor–positive breast cancer receive adjuvant endocrine therapies (ET) that delay relapse by targeting clinically undetectable micrometastatic deposits. Yet, up to 50% of patients relapse even decades after surgery through unknown mechanisms likely involving dormancy. To investigate genetic and transcriptional changes underlying tumor awakening, we analyzed late relapse patients and longitudinally profiled a rare cohort treated with long-term neoadjuvant ETs until progression. Next, we developed an in vitro evolutionary study to record the adaptive strategies of individual lineages in unperturbed parallel experiments. Our data demonstrate that ETs induce nongenetic cell state transitions into dormancy in a stochastic subset of cells via epigenetic reprogramming. Single lineages with divergent phenotypes awaken unpredictably in the absence of recurrent genetic alterations. Targeting the dormant epigenome shows promising activity against adapting cancer cells. Overall, this study uncovers the contribution of epigenetic adaptation to the evolution of resistance to ETs.

60 APPLIED LIFE SCIENCES↗