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DOE OSTI2022

Effect of Annealing Conditions on Recovery of Lattice Damage in a High-Energy-Implanted 4H-SiC Superjunction PIN Diode

A high energy ion implantation system has been recently developed at the Tandem Van de Graaff facility at Brookhaven National Laboratory with tunable energy to 150 MeV capable of multi-step, deep implantation in 4H-SiC wafers with dopant atoms, such as B, P, Al, and N. Medium and high voltage devices with deep junctions can be fabricated using this system. Lattice strain introduced by the implantation process needs to be recovered and dopant atoms activated by appropriate annealing process as the device performance is strongly associated with the extent of recovery of the lattice. Using Synchrotron X-ray Rocking Curve Topography (SXRCT) and Reciprocal Space Mapping (RSM), the strain induced by high energy implantation of Al and N in 4H-SiC in different patterns are measured and mapped. It is observed that the strain levels correlate with the total fluence levels. PiN diodes fabricated on these implanted wafers were then annealed at temperatures ranging from 1700 °C to 2000 °C for 60 min. The SXRCT and RSM analysis of the annealed samples suggests that for the same annealing duration, higher temperature leads to better lattice recovery.

43 PARTICLE ACCELERATORS↗

NASA NTRS1984

A comparison between Lageos laser ranging and VLBI determined baselines

Two independent measurement techniques, Lageos satellite laser ranging (SLR), and very long baseline interferometry (VLBI) are compared in the measurement of distances (or baselines) between several locations in the continental U.S. The results of this analysis is summarized where both the SLR and VLBI baseline lengths and their differences (SLR minus VLBI) are presented. A comparison of the 22 baselines shows a mean difference of 1.0 + or - 1.1 cm with a scatter about zero of 5.2 cm. No apparent systematic scale difference between the networks is evident. A map of the baselines is included and indicates their differences, SLR minus VLBI, in centimeters.

Kolenkiewicz, R.↗

DOE OSTI2025

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗

DOE OSTI2020

Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)

We report the emergence of two-dimensional (2D) materials has captured the imagination of researchers since graphene was first exfoliated from graphite in 2004. Their exotic properties give rise to many exciting potential applications in advanced electronic, optoelectronic, energy and biomedical technologies. Scalable growth of high quality 2D materials is crucial for their adoption in technological applications the same way the arrival of high quality silicon single crystals was to the semiconductor industry. A huge amount of effort has been devoted to grow large-area, highly crystalline 2D crystals such as graphene and transition metal dichalcogenides (TMDs) through various methods. While CVD growth of wafer-scale monolayer graphene and TMDs has been demonstrated, considerable challenges still remain. In this perspective, we advocate for the focus on the crystal growth morphology as an underpinning for understanding, diagnosing and controlling the CVD process and environment for 2D material growth. Like snowflakes in nature, 2D crystals exhibit a rich variety of morphologies under different growth conditions. The mapping of crystal shapes in the growth parameter space “encodes” a wealth of information, the deciphering of which will lead to better understanding of the fundamental growth mechanism and materials properties. To this end, we envision a collective effort by the 2D materials community to establish the correlation between crystal shapes and the intrinsic thermodynamic and kinetic parameters for CVD reactions through integrated crystal growth experiment, database development and machine learning assisted predictive modeling, which will pave a robust path towards controlled synthesis of 2D materials and heterostructures.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Texture and precipitation behavior of friction stir welded Inconel 825 alloy

The microstructure, texture pattern, and precipitation behavior of friction stir butt welded Inconel 825 alloy are highlighted here. The microstructure of bright regions and black-banded regions in the stir zone (SZ) is characterized by SEM, EBSD, and TEM with EDS. EBSD analysis justifies that the SZ exhibits a dynamic recrystallized structure. Grain boundary mapping corroborates the insignificant difference in the low- and high-angle grain boundaries fraction between the SZ, the thermo-mechanically affected zone, and the base metal. TEM analysis confirms the formation of nano twins and dispersion of nano-size precipitations in the grains, and at the grain boundaries as well. Grain refinement and nano-size precipitation formation in the SZ significantly enhanced both microhardness and tensile strength.

Das, Hrishikesh↗

DOE OSTI2021

Spatially Resolved Potential and Li-Ion Distributions Reveal Performance-Limiting Regions in Solid-State Batteries

The performance of solid-state electrochemical systems is intimately tied to the potential and lithium distributions across electrolyte–electrode junctions that give rise to interface impedance. Here, we combine two operando methods, Kelvin probe force microscopy (KPFM) and neutron depth profiling (NDP), to identify the rate-limiting interface in operating Si-LiPON-LiCoO 2 solid-state batteries by mapping the contact potential difference (CPD) and the corresponding Li distributions. The contributions from ions, electrons, and interfaces are deconvolved by correlating the CPD profiles with Li-concentration profiles and by comparisons with first-principles-informed modeling. Furthermore, we find that the largest potential drop and variation in the Li concentration occur at the anode–electrolyte interface, with a smaller drop at the cathode–electrolyte interface and a shallow gradient within the bulk electrolyte. Correlating these results with electrochemical impedance spectroscopy following battery cycling at low and high rates confirms a long-standing conjecture linking large potential drops with a rate-limiting interfacial process.

25 ENERGY STORAGE↗

DOE OSTI2021

Superior photo-carrier diffusion dynamics in organic-inorganic hybrid perovskites revealed by spatiotemporal conductivity imaging

Abstract The outstanding performance of organic-inorganic metal trihalide solar cells benefits from the exceptional photo-physical properties of both electrons and holes in the material. Here, we directly probe the free-carrier dynamics in Cs-doped FAPbI 3 thin films by spatiotemporal photoconductivity imaging. Using charge transport layers to selectively quench one type of carriers, we show that the two relaxation times on the order of 1 μs and 10 μs correspond to the lifetimes of electrons and holes in FACsPbI 3 , respectively. Strikingly, the diffusion mapping indicates that the difference in electron/hole lifetimes is largely compensated by their disparate mobility. Consequently, the long diffusion lengths (3~5 μm) of both carriers are comparable to each other, a feature closely related to the unique charge trapping and de-trapping processes in hybrid trihalide perovskites. Our results unveil the origin of superior diffusion dynamics in this material, crucially important for solar-cell applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗

DOE OSTI2024

3D hybrid fluid-particle jet simulations and the importance of synchrotron radiative losses

Context. Relativistic jets in active galactic nuclei are known for their exceptional energy output, and imaging the synthetic synchrotron emission of numerical jet simulations is essential for a comparison with observed jet polarization emission. Aims. Through the use of 3D hybrid fluid-particle jet simulations (with the PLUTO code), we overcome some of the commonly made assumptions in relativistic magnetohydrodynamic (RMHD) simulations by using non-thermal particle attributes to account for the resulting synchrotron radiation. Polarized radiative transfer and ray-tracing (via the RADMC-3D code) highlight the differences in total intensity maps when (i) the jet is simulated purely with the RMHD approach, (ii) a jet tracer is considered in the RMHD approach, and (iii) a hybrid fluid-particle approach is used. The resulting emission maps were compared to the example of the radio galaxy Centaurus A. Methods. We applied the Lagrangian particle module implemented in the latest version of the PLUTO code. This new module contains a state-of-the-art algorithm for modeling diffusive shock acceleration and for accounting for radiative losses in RMHD jet simulations. The module implements the physical postulates missing in RMHD jet simulations by accounting for a cooled ambient medium and strengthening the central jet emission. Results. We find a distinction between the innermost structure of the jet and the back-flowing material by mimicking the radio emission of the Seyfert II radio galaxy Centaurus A when considering an edge-brightened jet with an underlying purely toroidal magnetic field. We demonstrate the necessity of synchrotron cooling as well as the improvements gained when directly accounting for non-thermal synchrotron radiation via non-thermal particles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Influence of anomalous perpendicular transport on linear tearing mode dynamics in tokamak plasmas

The analysis of a previous paper [A. Cole and R. Fitzpatrick, Phys. Plasmas 13, 032503 (2006)] that maps out all of the two-fluid response regimes of a linear tearing layer interacting with an externally generated resonant magnetic perturbation, in a large aspect-ratio tokamak plasma, is generalized to take into account realistic levels of perpendicular particle transport. A new response-regime map is obtained that differs substantially, in many respects, from the old one. The improved analysis is first employed to find all of the two-fluid growth-rate regimes of a non-interacting low-mode-number tearing mode in a large aspect-ratio tokamak plasma. The analysis is then used to determine the scaling of the error-field penetration threshold with machine parameters in large aspect-ratio tokamak plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Hundreds of weak lensing shear-selected clusters from the Hyper Suprime-Cam Subaru Strategic Program S19A data

Abstract We use the Hyper Suprime-Cam Subaru Strategic Program S19A shape catalog to construct weak lensing shear-selected cluster samples. From aperture mass maps covering ∼510 deg2 created using a truncated Gaussian filter, we construct a catalog of 187 shear-selected clusters that correspond to mass map peaks with signal-to-noise ratio larger than 4.7. Most of the shear-selected clusters have counterparts in optically selected clusters, from which we estimate the purity of the catalog to be higher than 95%. The sample can be expanded to 418 shear-selected clusters with the same signal-to-noise ratio cut by optimizing the shape of the filter function and by combining weak lensing mass maps created with several different background galaxy selections. We argue that dilution and obscuration effects of cluster member galaxies can be mitigated by using background source galaxy samples and adopting a filter function with its inner boundary larger than about 2′. The large samples of shear-selected clusters that are selected without relying on any baryonic tracer are useful for detailed studies of cluster astrophysics and cosmology.

Oguri, Masamune↗

DOE OSTI2023

UAS remote sensing (3DR SOLO platform): multispectral reflectance and normalized difference vegetation index, Seward Peninsula, Alaska, 2022

Airborne remote sensing data collected using a Parrot Sequoia+ multispectral sensor installed on a 3DR SOLO unoccupied aerial system (UAS) – operated by the Terrestrial Ecosystem Science & Technology group https://www.bnl.gov/envsci/testgroup/ at Brookhaven National Laboratory. This package includes data from 19 flights flown over the NGEE-Arctic, Kougarok Mile Marker (MM) 80, Kougarok Fire Complex (KFC) and Teller MM 27 sites in July 2022. Derived image products include point cloud, ortho-mosaiced multispectral image, a digital surface model (DSM) using the structure from motion (SfM) technique, and a normalized difference vegetation index (NDVI) map. Unprocessed and processed data products are included in this package (processing levels 0-2). Data and metadata are provided as text (*.txt, *.json, *hdr,), tabular (*.dat, *.csv), point cloud (*.laz), Cloud Optimized GeoTIFF (COG, *.tif), and image (*.jpg, *.tif, *png) formats.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

UAS remote sensing (3DR SOLO platform): multispectral reflectance, canopy height model, normalized difference vegetation index, Seward Peninsula, Alaska, 2021

Airborne remote sensing data collected using a Parrot Sequoia+ multispectral sensor installed on a 3DR SOLO unoccupied aerial system (UAS) - operated by the Terrestrial Ecosystem Science Technology group at Brookhaven National Laboratory. This package includes data from 10 flights flown over the NGEE-Arctic Council Mile Marker (MM) 71, Kougarok MM64, and Teller MM27 sites on the Seward Peninsula, Alaska, in August 2021. Derived image products include point cloud, ortho-mosaiced multispectral image, ortho-mosaiced RGB image, a digital surface model (DSM) using the structure from motion (SfM) technique, a canopy height model (CHM), and a normalized difference vegetation index (NDVI) map. Unprocessed and processed data products are included in this package (processing levels 0-2). Data and metadata are provided as text (*.txt, *.json, *hdr,), tabular (*.dat, *.csv), point cloud (*.laz), Cloud Optimized GeoTIFF (COG, *.tif), and image (*.jpg, *.tif, *png) formats. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Cyber-Informed Engineering: Standards Development Organization Quick Start Guide

Cyber-Informed Engineering (CIE) is an emerging methodology focused on identifying and reducing high-consequence events that may affect physical critical infrastructure systems as a result of their dependence on digital technology. CIE, developed by National Laboratories and promoted by the Department of Energy (DOE), incorporates consequence-focused planning into the design and engineering process from the earliest stages of a project. This guide provides a concise overview of CIE and offers practical insight into how Standards Development Organizations (SDOs) can interpret CIE principles and apply those concepts in updates to various standards. It is important to remember that CIE extends beyond a compliance checklist, emphasizing a broader, interpretive approach. Instead, it encourages an interpretive mindset - a "turning of 'what if' to 'even if'" approach that anticipates and engineers out high-consequence events. The authors encourage SDOs to establish and promote CIE principles as enhancements for more resilient-by-design outcomes across critical infrastructure energy sectors. The 12 core principles of CIE outline specific behaviors and actions that SDOs and engineers may adopt to enhance system resilience. This guide applies these principles in a manner intended to be relevant across various technologies and threat landscapes. We welcome institutions and vendors to identify new or different framework alignments and mappings as we collectively work towards a safer and more reliable digital landscape.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1972

Spectral compositional imaging of silicate rocks.

A technique is presented for the broad-scale mapping of gross compositional differences in silicate rocks from three medium-width (2 to 3 microns) spectral channels of thermal infrared scanner data. Ratios of radiances in two of the channels as measured by a two-element Hg:Cd:Te detector from an altitude of 1000 meters are calculated for 25 silicate rocks. The ratios are shown to be nearly linearly correlated with the position of the centers of gravity of the reststrahlen spectral emissivity features, as measured in the laboratory. Further, the ratios are shown to be generally correlated with SiO2 content of silicate rocks. A third channel is proposed for correction of temperature variations across the scene.

Vincent, R. K.↗

NASA NTRS1973

Monitoring California's forage resource using ERTS-1 and supporting aircraft data

NASA's Earth Resource Technology Satellite (ERTS-1) launched July 23, 1972, offers for the first time the unique capabilities for regional monitoring of forage plant conditions. The repetitive coverage every 18 days, the synoptic view and the real-time recovery of the imagery for immediate analysis, combine to make the ERTS satellite a valuable tool for improving the evaluation of our rangeland resources. Studies presently underway at the University of California, Berkeley (sponsored jointly by NASA and the Bureau of Land Management), seek to determine if imagery obtained from high altitude aircraft and spacecraft (ERTS) can provide: (1) a means for monitoring the growth and development of annual and perennial range plants in California, and for determining the time and the rate of initial plant growth (germination) and terminal plant growth (maturation and senescence); (2) a means for determining or predicting the relative amount of forage that is produced; and (3) a means for mapping rangeland areas having different forage producing capabilities.

Carneggie, D. M.↗

NASA NTRS1975

A comparative interregional analysis of selected data from LANDSAT-1 and EREP for the inventory and monitoring of natural ecosystems

Comparative statistics were presented on the capability of LANDSAT-1 and three of the Skylab remote sensing systems (S-190A, S-190B, S-192) for the recognition and inventory of analogous natural vegetations and landscape features important in resource allocation and management. Two analogous regions presenting vegetational zonation from salt desert to alpine conditions above the timberline were observed, emphasizing the visual interpretation mode in the investigation. An hierarchical legend system was used as the basic classification of all land surface features. Comparative tests were run on image identifiability with the different sensor systems, and mapping and interpretation tests were made both in monocular and stereo interpretation with all systems except the S-192. Significant advantage was found in the use of stereo from space when image analysis is by visual or visual-machine-aided interactive systems. Some cost factors in mapping from space are identified. The various image types are compared and an operational system is postulated.

Poulton, C. E.↗

NASA NTRS1979

A quasi-static model of global atmospheric electricity. II - Electrical coupling between the upper and lower atmosphere

The paper presents a model of global atmospheric electricity used to examine the effect of upper atmospheric generators on the global electrical circuit. The model represents thunderstorms as dipole current generators randomly distributed in areas of known thunderstorm frequency; the electrical conductivity in the model increases with altitude, and electrical effects are coupled with a passive magnetosphere along geomagnetic field lines. The large horizontal-scale potential differences at ionospheric heights map downward into the lower atmosphere where the perturbations in the ground electric field are superimposed on the diurnal variation. Finally, changes in the upper atmospheric conductivity due to solar flares, polar cap absorptions, and Forbush decreases are shown to alter the downward mapping of the high-latitude potential pattern and the global distribution of fields and currents.

Roble, R. G.↗