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DOE OSTI2021

Interstitial Nature of Mn 2+ Doping in 2D Perovskites

Halide perovskites doped with magnetic impurities (such as the transition metals Mn 2+ , Co 2+ , Ni 2+ ) are being explored for a wide range of applications beyond photovoltaics, such as spintronic devices, stable light-emitting diodes, single-photon emitters, and magneto-optical devices. However, despite several recent studies, there is no consensus on whether the doped magnetic ions will predominantly replace the octahedral B-site metal via substitution or reside at interstitial defect sites. Here, by performing correlated nanoscale X-ray microscopy, spatially and temporally resolved photoluminescence measurements, and magnetic force microscopy on the inorganic 2D perovskite Cs 2 PbI 2 Cl 2 , we show that doping Mn 2+ into the structure results in a lattice expansion. The observed lattice expansion contrasts with the predicted contraction expected to arise from the B-site metal substitution, thus implying that Mn 2+ does not replace the Pb 2+ sites. Photoluminescence and electron paramagnetic resonance measurements confirm the presence of Mn 2+ in the lattice, while correlated nano-XRD and X-ray fluorescence track the local strain and chemical composition. Density functional theory calculations predict that Mn 2+ atoms reside at the interstitial sites between two octahedra in the triangle formed by one Cl – and two I – atoms, which results in a locally expanded structure. These measurements show the fate of the transition metal dopants, the local structure, and optical emission when they are doped at dilute concentrations into a wide band gap semiconductor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Modeling the Transmission of Optical Lightning Signals Through Complex 3‐D Cloud Scenes

Abstract Space‐based lightning imagers have shown that complex cloud scenes consisting of multiple tall convective features, anvil clouds, and warm boundary cloud layers are illuminated by lightning in many different ways depending on where the lightning occurs and how energetic it is. Modifications to the optical lightning signals from radiative transfer in the cloud medium can lead to reductions in detection efficiency and location accuracy for these instruments and can also cause some of the optical signals that are detected to have unexpected spatial energy distributions. In this study, we perform Monte Carlo radiative transfer simulations of optical lightning emissions in clouds with complex 3‐D geometries to shed some light on the origins of certain irregular radiance patterns that have been recorded from orbit. We show that diffuse reflections off nearby cloud faces can explain lightning signals in nonelectrified clouds, tall clouds can result in poor optical transmission and suppressed radiances that could lead to missed events and that particularly favorable viewing conditions can cause otherwise normal lightning to produce a superbolt that is orders of magnitude brighter than the same flash seen from a different angle.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging

The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the challenge of reliable data interpretation, i.e., conversion from detected signals to descriptors specific to tip–surface interactions and subsequently to material’s properties. In this work, we implemented a Bayesian inference approach for the analysis of the image formation mechanisms in band excitation SPM. Compared to the point estimates in classical functional fit approaches, Bayesian inference allows for the incorporation of extant knowledge of materials and probe behavior in the form of corresponding prior distribution and return the information on the material functionality in the form of readily interpretable posterior distributions. We explore the nonlinear mechanical behaviors spatially in a classical ferroelectric material, PbTiO 3 . We observe the non-trivial evolution of the Duffing stiffness term and the nonlinearity of the sample surface, determine spatial clustering of the nonlinear response, and perform a Landau analysis on predicting the nonlinear coefficient, which indicates that ferroelectric behavior can be a cause of the observed results. These observations suggest that the spectrum of anomalous behaviors at the ferroelectric domain walls may be broader than previously believed and can extend to non-conventional mechanical properties in addition to static and microwave conductance.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Source size of x rays from self-modulated laser wakefield accelerators

A comparative study of x-ray sources generated with different mechanisms from self-modulated laser wakefield acceleration (SM-LWFA) electrons was performed to compare the source size or spatial resolution for use in high energy density science applications. We examine the source size of betatron, inverse Compton scattering, and bremsstrahlung radiation with a Fresnel diffraction based formalism and a modified x-ray ray tracing model. We observe the dependence of source size on the radiation generation process, laser parameters, and compare to what is possible in other regimes of LWFA, as well as current methods. This information is significant as we begin to explore the use of light sources driven by SM-LWFA for use as a diagnostic at large-scale laser facilities where blowout regime LWFA is not possible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Modeling freight mode choice using machine learning classifiers: a comparative study using Commodity Flow Survey (CFS) data

This study explores the usefulness of machine learning classifiers for modeling freight mode choice. We investigate eight commonly used machine learning classifiers, namely Naïve Bayes, Support Vector Machine, Artificial Neural Network, K-Nearest Neighbors, Classification and Regression Tree, Random Forest, Boosting and Bagging, along with the classical Multinomial Logit model. US 2012 Commodity Flow Survey data are used as the primary data source; we augment it with spatial attributes from secondary data sources. The performance of the classifiers is compared based on prediction accuracy results. The current research also examines the role of sample size and training-testing data split ratios on the predictive ability of the various approaches. In addition, the importance of variables is estimated to determine how the variables influence freight mode choice. The results show that the tree-based ensemble classifiers perform the best. Specifically, Random Forest produces the most accurate predictions, closely followed by Boosting and Bagging. With regard to variable importance, shipment characteristics, such as shipment distance, industry classification of the shipper and shipment size, are the most significant factors for freight mode choice decisions.

42 ENGINEERING↗

DOE OSTI2024

Using graph neural networks to reconstruct charged pion showers in the CMS High Granularity Calorimeter

A novel method to reconstruct the energy of hadronic showersin the CMS High Granularity Calorimeter (HGCAL) is presented. TheHGCAL is a sampling calorimeter with very fine transverse andlongitudinal granularity. The active media are silicon sensors andscintillator tiles readout by SiPMs and the absorbers are acombination of lead and Cu/CuW in the electromagnetic section, andsteel in the hadronic section. The shower reconstruction method isbased on graph neural networks and it makes use of a dynamicreduction network architecture. It is shown that the algorithm isable to capture and mitigate the main effects that normally hinderthe reconstruction of hadronic showers using classicalreconstruction methods, by compensating for fluctuations in themultiplicity, energy, and spatial distributions of the shower'sconstituents. The performance of the algorithm is evaluated usingtest beam data collected in 2018 prototype of the CMS HGCALaccompanied by a section of the CALICE AHCAL prototype. Thecapability of the method to mitigate the impact of energy leakagefrom the calorimeter is also demonstrated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

A new data-driven map predicts substantial undocumented peatland areas in Amazonia

Tropical peatlands are among the most carbon-dense terrestrial ecosystems yet recorded. Collectively, they comprise a large but highly uncertain reservoir of the global carbon cycle, with wide-ranging estimates of their global area (441 025–1700 000 km 2 ) and below-ground carbon storage (105–288 Pg C). Substantial gaps remain in our understanding of peatland distribution in some key regions, including most of tropical South America. Here we compile 2413 ground reference points in and around Amazonian peatlands and use them alongside a stack of remote sensing products in a random forest model to generate the first field-data-driven model of peatland distribution across the Amazon basin. Our model predicts a total Amazonian peatland extent of 251 015 km 2 (95th percentile confidence interval: 128 671–373 359), greater than that of the Congo basin, but around 30% smaller than a recent model-derived estimate of peatland area across Amazonia. The model performs relatively well against point observations but spatial gaps in the ground reference dataset mean that model uncertainty remains high, particularly in parts of Brazil and Bolivia. For example, we predict significant peatland areas in northern Peru with relatively high confidence, while peatland areas in the Rio Negro basin and adjacent south-western Orinoco basin which have previously been predicted to hold Campinarana or white sand forests, are predicted with greater uncertainty. Similarly, we predict large areas of peatlands in Bolivia, surprisingly given the strong climatic seasonality found over most of the country. Very little field data exists with which to quantitatively assess the accuracy of our map in these regions. Data gaps such as these should be a high priority for new field sampling. This new map can facilitate future research into the vulnerability of peatlands to climate change and anthropogenic impacts, which is likely to vary spatially across the Amazon basin.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Phase-resolving spin-wave microscopy using infrared strobe light

The need for sensitively and reliably probing magnetization dynamics has been increasing in various contexts such as studying novel hybrid magnonic systems, in which the spin dynamics strongly and coherently couple to other excitations, including microwave photons, light photons, or phonons. Recent advances in quantum magnonics also highlight the need for employing the magnon phase as quantum state variable, which is to be detected and mapped out with high precision in on-chip micro- and nanoscale magnonic devices. Here, in this study, we demonstrate a facile optical technique that can directly perform concurrent spectroscopic and imaging functionalities with spatial and phase resolutions, using infrared strobe light operating at 1550-nm wavelength. To showcase the methodology, we spectroscopically studied the phaseresolved spin dynamics in a bilayer of Permalloy and yttrium iron garnet Y 3 Fe 5 O 12 (YIG), and spatially imaged the backward-volume spin-wave modes of YIG in the dipolar spin-wave regime. Using the strobe light probe, the detected precessional phase contrast can be directly used to construct the map of the spin wave's wave front, in the continuous-wave regime of spin-wave propagation and in the stationary state, without needing any optical reference path. By selecting the applied field, frequency, and detection phase, the spin-wave images can be made sensitive to the precession amplitude and phase. Our results demonstrate that infrared optical strobe light can serve as a versatile platform for magneto-optical probing of magnetization dynamics, with potential implications in investigating hybrid magnonic systems.

Xiong, Yuzan [University of North Carolina, Chapel↗

DOE OSTI2019

Temperature and Excitation Dependence of Recombination in CIGS Thin Films with High Spatial Resolution

Alkali post-deposition treatments significantly improve the performance of CuInGaSe2 (CIGS) devices, but there is still room for improvement. Here, we investigate the effects of potassium fluoride alkali post-deposition treatment on the defect chemistry and recombination at grain boundaries and grain interiors using temperature- and injection-dependent cathodoluminescence (CL) spectrum imaging. We study CIGS thin films grown on alkali-free sapphire substrates to isolate the effects of alkali treatment from alkali metals that can diffuse from standard soda-lime glass substrates. We find that alkali treatment affects the energy and temperature dependence of the luminescence peaks, as well as the defect activation energies. CL spectrum images reveal that the luminescence transitions at grain boundaries have a distinct power dependence after alkali treatment and substantially different defect chemistry. This work shows that temperatureand injection-dependence CL spectrum images can provide unique insight into the defect chemistry and recombination behavior of CIGS thin films.

14 SOLAR ENERGY↗

DOE OSTI2025

Real-time neutron multiplicity and source localization for criticality safety during fuel debris removal

Advancing neutron detection and analysis techniques for complex radiation environments is an ongoing focus in nuclear instrumentation and monitoring. This proposal presents research and development of a generalized real-time neutron monitoring and analysis system, applicable to any detector capable of producing time-tagged neutron count data. While the work is demonstrated using the Neutron Multiplication Analysis Detector (NoMAD), a modular 15-tube helium-3 (He-3) array, due to its availability, spatial resolution, and flexible deployment, the methods developed are extensible to other systems, including organic scintillators and fast digital detectors. This research investigates two complementary analytical techniques for real-time characterization of neutron emitting sources: neutron multiplicity estimation based on the Hage-Cifarelli formalism and spatial localization using supervised machine learning applied to spatial count rate patterns. These methods are designed to operate under dynamic, evolving conditions such as fuel debris retrieval or reactor startup, where neutron-emitting material geometries may be partially unknown or changing over time. By integrating statistical neutron emission data with spatial localization, this research aims to develop and evaluate methods for real time neutron monitoring, source characterization, and material verification. Key contributions include implementation of a low-latency data pipeline for continuous neutron multiplicity analysis, development and validation of machine learning models for spatial inference, and experimental evaluation of system performance under variable measurement conditions. The outcomes are intended to support applications in nuclear safeguards, verification, emergency response, and reactor startup.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Sensitivity Studies of Premixed Flame Response to Transverse, High Frequency Disturbances

This study analyzes the response of premixed flames to high frequency transverse acoustic disturbances. A significant body of experiment, modeling and simulation efforts has been performed to understand the response of the spatially integrated heat release of premixed flames to low-frequency disturbances. These studies quantified this sensitivity through the Flame Transfer Function (FTF), as the global heat release is the key quantity influencing thermoacoustic stability for acoustically compact flames. Recent efforts have expanded these models to consider high-frequency acoustic disturbances, and the sensitivity of premixed flames through the Rayleigh integral (RI). The full Rayleigh Integral, as opposed to simply the spatially integrated heat release, must be considered in these cases where the flame is not acoustically compact. Prior modeling studies considered several effects - stability of axisymmetric flames centered in a cylindrical combustion chamber and the effect of flame offset from the combustor axis and the effect of mean flame asymmetries in the flame centered in the combustor. These studies showed that the flame's stability was sensitive to all these parameters, as well as to the transverse mode in question. In this paper, we quantify these different parametric sensitivities of premixed flame stability in the presence of high-frequency transverse acoustic modes - specifically sensitivity to flame length and nozzle location within the acoustic mode shape for 2 different transverse modes. The sensitivity of the RI to these control parameters provides an improved understanding of which flame parameters are critical to improve the overall thermoacoustic stability of the system.

Acharya, Vishal S.↗

DOE OSTI2024

Time Series Foundation Models and Deep Learning Architectures for Earthquake Temporal and Spatial Nowcasting

Advancing the capabilities of earthquake nowcasting, the real-time forecasting of seismic activities, remains crucial for reducing casualties. This multifaceted challenge has recently gained attention within the deep learning domain, facilitated by the availability of extensive earthquake datasets. Despite significant advancements, the existing literature on earthquake nowcasting lacks comprehensive evaluations of pre-trained foundation models and modern deep learning architectures; each focuses on a different aspect of data, such as spatial relationships, temporal patterns, and multi-scale dependencies. This paper addresses the mentioned gap by analyzing different architectures and introducing two innovative approaches called Multi Foundation Quake and GNNCoder. We formulate earthquake nowcasting as a time series forecasting problem for the next 14 days within 0.1-degree spatial bins in Southern California. Earthquake time series are generated using the logarithm energy released by quakes, spanning 1986 to 2024. Our comprehensive evaluations demonstrate that our introduced models outperform other custom architectures by effectively capturing temporal-spatial relationships inherent in seismic data. The performance of existing foundation models varies significantly based on the pre-training datasets, emphasizing the need for careful dataset selection. However, we introduce a novel method, Multi Foundation Quake, that achieves the best overall performance by combining a bespoke pattern with Foundation model results handled as auxiliary streams.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

HAWC Detection of a TeV Halo Candidate Surrounding a Radio-quiet Pulsar

Extended very-high-energy (VHE; 0.1–100 TeV) γ-ray emission has been observed around several middle-aged pulsars and referred to as "TeV halos." Their formation mechanism remains under debate. It is also unknown whether they are ubiquitous or related to a certain subgroup of pulsars. With 2321 days of observation, the High Altitude Water Cherenkov (HAWC) Gamma-Ray Observatory detected VHE γ-ray emission at the location of the radio-quiet pulsar PSR J0359+5414 with >6σ significance. By performing likelihood tests with different spectral and spatial models and comparing the TeV spectrum with multiwavelength observations of nearby sources, we show that this excess is consistent with a TeV halo associated with PSR J0359+5414, though future observation of HAWC and multiwavelength follow-ups are needed to confirm this nature. This new halo candidate is located in a noncrowded region in the outer galaxy. It shares similar properties to the other halos but its pulsar is younger and radio-quiet. Our observation implies that TeV halos could commonly exist around pulsars and their formation does not depend on the configuration of the pulsar magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Experimental investigation of model variable-geometry and ogee tip rotors.

Landgrebe, A. J.↗

NASA NTRS1974

Experimental investigation of model variable-geometry and ogee tip rotors

An experimental investigation was conducted to systematically explore the effects of inter-blade spatial relationships and pitch variations on rotor performance and wake geometry. Variable-geometry rotors consisting of various combinations of blade length, axial spacing, azimuth spacing, and collective pitch were tested at model scale in hover and forward flight. In addition, a hover test of a model rotor with an ogee blade tip design was conducted to determine its performance and wake characteristics. The results of this investigation indicate that properly selected variable geometry rotor configurations can offer substantial improvements in hover performance without adversely affecting forward flight performance. Axial spacing of alternate blades was found to provide the greatest performance benefit, and further improvements were achieved by combining azimuth spacing with axial spacing. The performance benefit appears to be related to the relief of local adverse aerodynamic phenomena produced by vortex interference. The ogee tip design was found to substantially reduce the concentrated core intensity of the tip vortex, and could thus prove beneficial for the relief of blade-vortex interaction problems. However, the ogee tip was found to reduce hover performance at model scale.

Landgrebe, A. J.↗

NASA NTRS1974

Object motion analysis study

The use of optical data processing (ODP) techniques for motion analysis in two-dimensional imagery was studied. The basic feasibility of this approach was demonstrated, but inconsistent performance of the photoplastic used for recording spatial filters prevented totally automatic operation. Promising solutions to the problems encountered are discussed, and it is concluded that ODP techniques could be quite useful for motion analysis.

Source record↗

NASA NTRS1977

Performance evaluation of a quasi-microscope for planetary landers

Spatial resolutions achieved with cameras on lunar and planetary landers have been limited to about 1 mm, whereas microscopes of the type proposed for such landers could have obtained resolutions of about 1 um but were never accepted because of their complexity and weight. The quasi-microscope evaluated in this paper could provide intermediate resolutions of about 10 um with relatively simple optics that would augment a camera, such as the Viking lander camera, without imposing special design requirements on the camera of limiting its field of view of the terrain. Images of natural particulate samples taken in black and white and in color show that grain size, shape, and texture are made visible for unconsolidated materials in a 50- to 500-um size range. Such information may provide broad outlines of planetary surface mineralogy and allow inferences to be made of grain origin and evolution. The mineralogical descriptions of single grains would be aided by the reflectance spectra that could, for example, be estimated from the six-channel multispectral data of the Viking lander camera.

Burcher, E. E.↗

NASA NTRS1982

A model for radar images and its application to adaptive digital filtering of multiplicative noise

Standard image processing techniques which are used to enhance noncoherent optically produced images are not applicable to radar images due to the coherent nature of the radar imaging process. A model for the radar imaging process is derived in this paper and a method for smoothing noisy radar images is also presented. The imaging model shows that the radar image is corrupted by multiplicative noise. The model leads to the functional form of an optimum (minimum MSE) filter for smoothing radar images. By using locally estimated parameter values the filter is made adaptive so that it provides minimum MSE estimates inside homogeneous areas of an image while preserving the edge structure. It is shown that the filter can be easily implemented in the spatial domain and is computationally efficient. The performance of the adaptive filter is compared (qualitatively and quantitatively) with several standard filters using real and simulated radar images.

Frost, V. S.↗