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DOE OSTI2026

Impact of the Annealing Temperature on the Local Se Distribution and Optical Properties in CdSexTe1-x Solar Cells by Multimodal X-ray Microscopy

The introduction of Se in CdTe solar-cell absorbers has led to multiple beneficial effects in the devices, including an increased short-circuit current and an extended charge-carrier lifetime. A critical manufacturing step of CdSexTe1-x solar cells is CdCl2 annealing at high temperatures, during which Se diffuses through the absorber layer. Understanding the local Se distribution in the absorber and its impact on optical properties of the material is key for the further development of this thin-film solar cell technology. In a multimodal x-ray scanning microscopy approach, we investigated the impact of the annealing temperature of CdSexTe1-x solar cells on the Se distribution and on optical characteristics of the material. For this purpose, we exploited an upgraded x-ray excited optical luminescence (XEOL) detection unit that enables simultaneous spectrally and temporally resolved XEOL mapping at synchrotron facilities that are ideal for studying thin-film solar-cell materials with hard x-rays featuring high penetration depth and lateral resolution.

14 SOLAR ENERGY↗

DOE OSTI2024

Kinetic relaxation and nucleation of Bose stars in self-interacting wave dark matter

We revisit kinetic relaxation and soliton/boson star nucleation in fuzzy scalar dark matter featuring short-ranged self-interactions H int = − λ | ψ | 4 / 2 m 2 , alongside gravitational self-interactions. We map out the full curve of nucleation timescale for both repulsive ( λ < 0 ) and attractive ( λ > 0 ) short-ranged self-interaction strength and in doing so reveal two new points. Firstly, besides the two usual terms, ∝ G 2 and ∝ λ 2 , in the total relaxation rate Γ relax , there is an additional cross term ∝ G λ arising due to interference between gravitational and short-ranged self-interaction scattering amplitudes. This yields a critical repulsive interaction strength λ cr ≃ − 2 π G m 2 / v 0 2 , at which the relaxation rate is smallest and serves as the transition point between typical net attractive self-interaction ( λ ≳ λ cr ) and net repulsive self-interaction ( − λ ≳ − λ cr ). Secondly, while in the net attractive regime, nucleation timescale is similar to inverse relaxation timescale τ nuc ∼ Γ relax − 1 ; in the net repulsive regime, nucleation occurs at a delayed time τ nuc ∼ ( λ / λ cr ) Γ relax − 1 . We confirm our analytical understanding by performing 3D field simulations with varying average mass density ρ ¯ , box size L and grid size N . Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2024

Quantitative analysis of three-dimensional fatigue crack path selection in Mg alloy WE43 using high-energy X-ray diffraction microscopy

Fatigue short-cracks in Mg alloys display complex growth behavior due to high plastic anisotropy and crack path dependence on local microstructural features. In this study, the three-dimensional crystallography of short-crack paths in Mg alloy WE43 was characterized by mapping near-field high-energy X-ray diffraction microscopy (HEDM) reconstructed grain maps to high-resolution X-ray CT reconstructions of the fracture surfaces in the crack initiation and short-crack growth regions of six ultrasonic fatigue specimens. Crack–grain–boundary intersections were analyzed at 81 locations across the six crack paths. The basal intragranular, non-basal intragranular, or intergranular character of short-crack growth following each boundary intersection was correlated to crystallographic and geometric parameters of the trailing and leading grains, three-dimensional grain boundary plane, and advancing crack front. The results indicate that crack paths are dependent on the combined crystallographic and geometric character of the local microstructure, and crack path prediction can be improved by use of dimensionality reduction on subsets of high-linear-correlation microstructural parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2022

XRF-ROI Finder: Machine Learning to Guide Region-of-Interest Scanning for X-ray Fluorescence Microscopy

The ROI-finder software is being developed for use by several Microscopy Group beamlines at Argonne National Laboratory, including 2-ID microprobes and 9-ID-B Bionanoprobe which use multi-scale scanning fluorescence microscopy to acquire elemental maps (multi-modal image data). Microscopy experiments require scan of samples at a coarse resolution followed by ROI identification using feature detection based on domain expertise. Finer resolution scans are then conducted based on identified ROI. The decision-making process based on domain expertise will be difficult to perform for faster data rates and much larger sampling volumes anticipated after APS-U necessitating the need for the ROI-finder software. The ROI- finder detects regions of interest through a continuous learning process, starting with a unsupervised representation learning and improving its recommendations through supervised learning and an interactive tool for user annotation. The scope of ongoing development efforts includes the integration of image registration module to correlate optical and X-ray images, extraction of feature morphology as well as elemental signatures in the image space and incorporation of beamtime streaming data by the scanning probe via EPICS.

CHOWDHURY, M. ARSHAD ZAHANGIR↗

DOE OSTI2024

Understanding sextupole

In this study, we reassess the dynamics within a simple accelerator lattice featuring a single degree of freedom and incorporating a sextupole magnet. In the initial segment, we revisit the H\'enon quadratic map, a representation of a general transformation with quadratic nonlinearity. In the subsequent section, we unveil that a conventional sextupole is essentially a composite structure, comprising an integrable McMillan sextupole and octupole, along with non-integrable corrections of higher orders. This fresh perspective sheds light on the fundamental nature of the sextupole magnet, providing a more nuanced understanding of its far-from-trivial chaotic dynamics. Importantly, it enables the description of driving terms of the second and third orders and introduces associated nonlinear Courant-Snyder invariant.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

TX$^2$: Transformer eXplainability and eXploration

The Transformer eXplainability and eXploration (Martindale & Stewart, 2021), or TX 2 software package, is a library designed for artificial intelligence researchers to better understand the performance of transformer models (Vaswani et al., 2017) used for sequence classification. The tool is capable of integrating with a trained transformer model and a dataset split into training and testing populations to produce an ipywidget (Project Jupyter Contributors, 2021) dashboard with a number of visualizations to understand model performance with an emphasis on explainability and interpretability. The TX 2 package is primarily intended to integrate into a workflow centered around Jupyter Notebooks (Kluyver et al., 2016), and currently assumes the use of PyTorch (Paszke et al., 2019) and Hugging Face transformers library (Wolf et al., 2020). The dashboard includes visualization and data exploration features to aid researchers, including an interactive UMAP embedding graph (McInnes et al., 2018) to understand classification clusters, a word salience map that can be updated as researchers alter textual entries in near real time, a set of tools to understand word frequency and importance based on the clusters in the UMAP embedding graph, and a set of traditional confusion matrix analysis tools.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

User Manual - HydraGNN: Distributed PyTorch Implementation of Multi-Headed Graph Convolutional Neural Networks

This document serves as user manual for HydraGNN, a scalable graph neural network (GNN) architecture that allows for a simultaneous prediction of multiple target properties using multi-task learning (MTL). The HydraGNN architecture is constructed by successive superposition of three different sets of layers. The first set is made of message-passing layers to exchange information across nodes in the graph and use this to update the nodal features. The second set is made of global pooling layers that aggregate information from all the nodes in the graph and map it into a scalar, and is needed only for global target properties that are related to the entire graph. The third set of layers is dedicated to the implementation of MTL, which is enabled by forking of the architecture into separate heads, each one of them dedicated to the predictive task of one specific target property. Through an object-oriented programming paradigm, HydraGNN is templated over different message-passing policies, which allows for a user-friendly hyperparameter study to assess the sensitivity of the predictive performance of the HydraGNN architecture on a specific dataset with respect to the choice of the message-passing policy. The object-oriented paradigm used by HydraGNN also allows for a user-friendly inclusion of newly developed message passing policies within the existing framework. HydraGNN supports distributed computing capabilities for scalable data reading and scalable training on leadership-class supercomputers.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Understanding Sextupole

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Characteristics of the IBEX Ribbon and Their Implications for a Source Region Outside the Heliopause

This paper presents a comprehensive exploration of the Interstellar Boundary Explorer energetic neutral atom (ENA) ribbon, focusing on its spatial and temporal variations over 14 yr. Methodological advancements, including a refined map modeling procedure and a new ribbon separation technique with appropriate error propagation, enable a detailed investigation of the ribbon’s features. Utilizing statistically robust metrics, this study reveals details of the ribbon across energy and time. Key findings include energy- and time-dependent variations in flux, angular radius, ribbon profile width, and higher moments. By applying these metrics, we reveal new complexity to the evolution of the ribbon over time, highlighting the nuanced relationship between it and the solar wind. Furthermore, the study examines for the first time the ribbon as it passes through the starboard/heliotail region (Lon EC 120°–180°), revealing properties distinct from other portions of the ribbon. The analysis uncovers an anticorrelation between ribbon width and flux, which provides quantitative support for a multisource ribbon created by a combination of solar wind neutrals that generate a spatiall narrow ribbon component and heliosheath neutrals giving rise to a broad component. Finally, differences in the temporal evolution of the ENA flux at different energies provide additional support that the location of the ribbon source region is beyond the heliopause.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1974

Geological evaluation and applications of ERTS-1 imagery over Georgia

ERTS-1 70mm and 9 x 9 film negatives are being used by conventional and color enhancement methods as a tool for geologic investigation. Geologic mapping and mineral exploration by conventional methods is very difficult in Georgia. Thick soil cover and heavy vegetation cause outcrops of bed rock to be small, rare and obscure. ERTS imagery, and remote sensing in general have helped delineate: (1) major tectonic boundaries; (2) lithologic contacts; (3) foliation trends; (4) topographic lineaments; and (5) faults. The ERTS-1 MSS imagery yields the greatest amount of geologic information on the Piedomont, Blue Ridge, and Valley and Ridge Provinces of Georgia where topography is strongly controlled by the bedrock geology. ERTS imagery, and general remote sensing techniques, have provided us with a powerful tool to assist geologic research; have significantly increased the mapping efficiency of our field geologists; have shown new lineaments associated with known shear and fault zones; have delineated new structural features; have provided a tool to re-evaluate our tectonic history; have helped to locate potential ground water sources and areas of aquifer recharge; have defined areas of geologic hazards; have shown areas of heavy siltation in major reservoirs; and by its close interval repetition, have aided in monitoring surface mine reclamation activities and the environmental protection of our intricate marshland system.

Pickering, S. M.↗

NASA NTRS1974

ERTS imagery applied to Alaskan coastal problems

Along the Alaska coast, surface water circulation is relatively easy to study with ERTS imagery. Highly turbid river water, sea ice, and fluvial ice have proven to be excellent tracers of the surface waters. Sea truth studies in the Gulf of Alaska, Cook Inlet, Bristol Bay, and the Bering Strait area have established the reliability of these tracers. ERTS imagery in the MSS 4 and 5 bands is particularly useful for observing lower concentrations of suspended sediment, while MSS 6 data is best for the most concentrated plumes. Ice features are most clearly seen on MSS 7 imagery; fracture patterns and the movement of specific floes can be used to map circulation in the winter when runoff is restricted, if appropriate allowance is made for wind influence. Current patterns interpreted from satellite data are only two-dimensional, but since most biological activity and pollution are concentrated near the surface, the information developed can be of direct utility. Details of Alaska inshore circulation of importance to coastal engineering, navigation, pollution studies, and fisheries development have been clarified with satellite data. ERTS has made possible the analysis of circulation in many parts of the Alaskan coast.

Wright, F. F.↗

NASA NTRS1980

Numerical generation of two-dimensional grids by the use of Poisson equations with grid control at boundaries

A method for generating boundary-fitted, curvilinear, two dimensional grids by the use of the Poisson equations is presented. Grids of C-type and O-type were made about airfoils and other shapes, with circular, rectangular, cascade-type, and other outer boundary shapes. Both viscous and inviscid spacings were used. In all cases, two important types of grid control can be exercised at both inner and outer boundaries. First is arbitrary control of the distances between the boundaries and the adjacent lines of the same coordinate family, i.e., stand-off distances. Second is arbitrary control of the angles with which lines of the opposite coordinate family intersect the boundaries. Thus, both grid cell size (or aspect ratio) and grid cell skewness are controlled at boundaries. Reasonable cell size and shape are ensured even in cases wherein extreme boundary shapes would tend to cause skewness or poorly controlled grid spacing. An inherent feature of the Poisson equations is that lines in the interior of the grid smoothly connect the boundary points (the grid mapping functions are second order differentiable).

Sorenson, R. L.↗

NASA NTRS1982

Investigation of Antarctic crust and upper mantle using MAGSAT and other geophysical data

Plans to create an improved version of the MAGSAT magnetic anomaly map by more carefully scrutinizing the accepted data for field-aligned current effects are discussed. Data are continued to a 300 km surface for the compilation of a final map. Based on this set of data, vector anomaly maps over Antarctica are planned. A high-pass anomaly map with a cut-off wavelength of approximately 1500 km is also envisioned. It is suspected that longer-wavelength features have their origin outside the crust.

Bentley, C. R.↗

NASA NTRS1982

Results from the Magsat mission

The results of analyses of the data gathered by Magsat on the geomagnetic field, crustal magnetic anomalies, fields arising from external current systems, and in investigations of the earth's core, mantle, and core-mantle boundary are presented. A least squares potential function showed that the geomagnetic field was 30,000-50,000 nanoteslas at the Magsat altitude, while fields from external sources were 0-1000 nanoteslas and those from crustal sources 0-50 nanoteslas. Long-wavelength magnetic anomalies were correlated with tectonic features, sometimes reflecting undulations in the Curie isotherm at other times changes in the structure of the lower crust. Detailed anomaly maps from regional data analyses are provided, and possible future spacecraft missions for improving the resolution of contours and strengths of the anomalies are described.

Langel, R. A.↗

NASA NTRS1984

Volcanic forms in the Kane Patera region, Io

Four morphologically distinct major volcanic forms occur within and adjacent to the Kane Patera, high resolution map quadrangle Ji2B (lat 15 to 50 S., long 355 to 20 W.). Volcanic vents and flows from four types of features are included: low-relief shield volcanoes, domical shield volcanoes, large calderas and isolated groups of flows not obviously associated with a central vent.

Karner, F. R.↗

NASA NTRS1986

The Arecibo S-band radar program

Reduction to images of the 1983 monostatic Venus mapping data was completed. Analysis of the images, including detailed comparisons with Pioneer Venus data and Soviet Venera 15/16 images, continued. Feature locations in Arecibo Venus radar images produced between 1975 and 1983 were used to make a new determination of the rotation vector. This result is of general interest but was also required for planning and cartographic purposes for the Magellan mission. A new set of observations of Venus were made in March/April 1985, aimed at imaging low northern and high southern latitudes, including the south polar region, at 1 to 2km resolution. A limited number of ranging observations were made to Mercury and Venus. Ten asteroids were detected increasing the number studied with the Arecibo system to almost 40. A system to allow high time resolution, as well as high Doppler frequency resolution, studies of small asteroids or comets which make close approaches to the Earth was implemented. A radar detection of Halley's Comet was obtained when it approached to within 0.62 AU of the Earth in November/December of last year. It is still uncertain whether the echo is a reflection from the nucleus or from a cloud of cm-sized particles in the vicinity of the nucleus.

Campbell, D. B.↗

NASA NTRS1986

Middle Atmosphere Program. Handbook for MAP, volume 22

A series of plots are presented that describe the state of the stratosphere and to some degree, the mesosphere as revealed by satellite observations. The pertinent instrument features, spatial and temporal coverage, and details of accuracy and precision for the experiments providing the data are described. The main features of zonal mean cross sections and polar stereographic projections are noted and intercomparisons are discussed where a parameter was measured by more than one experiment. It was not the attempt to be exhaustive in this or to present detailed results of scientific investigations. The main purpose was to collect the available data in one place and provide enough information on limitations or cautions about the data so that they could be used in model comparisons and science studies. Without a doubt, when these are used, numerous questions will arise that were not addressed here. In such cases, the reader is encouraged to contact the experimenters for proper clarification.

Russell, James M., III↗

NASA NTRS1987

Magellan - Communicating with a spacecraft at Venus

NASA's Magellan mission scheduled for launch in April 1989, using the Space Shuttle/Innertial Upper Stage configuration, will put a single spacecraft in orbit around Venus in order to map the planet's surface with SAR. The SAR's resolution will be enough to furnish surface details, and such geological features as tectonics, volcanic activity, surface faulting, and water and wind erosion. Attention is presently given to the telecommunications system that will be needed to transmit the 3.4 trillion bits of data which the SAR will acquire during the course of this mission.

Burow, Nathan A.↗