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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Automation of the CFD Process on Distributed Computing Systems

A script system was developed to automate and streamline portions of the CFD process. The system was designed to facilitate the use of CFD flow solvers on supercomputer and workstation platforms within a parametric design event. Integrating solver pre- and postprocessing phases, the fully automated ADTT script system marshalled the required input data, submitted the jobs to available computational resources, and processed the resulting output data. A number of codes were incorporated into the script system, which itself was part of a larger integrated design environment software package. The IDE and scripts were used in a design event involving a wind tunnel test. This experience highlighted the need for efficient data and resource management in all parts of the CFD process. To facilitate the use of CFD methods to perform parametric design studies, the script system was developed using UNIX shell and Perl languages. The goal of the work was to minimize the user interaction required to generate the data necessary to fill a parametric design space. The scripts wrote out the required input files for the user-specified flow solver, transferred all necessary input files to the computational resource, submitted and tracked the jobs using the resource queuing structure, and retrieved and post-processed the resulting dataset. For computational resources that did not run queueing software, the script system established its own simple first-in-first-out queueing structure to manage the workload. A variety of flow solvers were incorporated in the script system, including INS2D, PMARC, TIGER and GASP. Adapting the script system to a new flow solver was made easier through the use of object-oriented programming methods. The script system was incorporated into an ADTT integrated design environment and evaluated as part of a wind tunnel experiment. The system successfully generated the data required to fill the desired parametric design space. This stressed the computational resources required to compute and store the information. The scripts were continually modified to improve the utilization of the computational resources and reduce the likelihood of data loss due to failures. An ad-hoc file server was created to manage the large amount of data being generated as part of the design event. Files were stored and retrieved as needed to create new jobs and analyze the results. Additional information is contained in the original.

Tejnil, Ed↗
NASA NTRS2011

Towards an Optimal Noise Versus Resolution Trade-Off in Wind Scatterometry

A scatterometer is a radar that measures the normalized radar cross section sigma(sup 0) of the Earth's surface. Over the ocean this signal is related to the wind via the geophysical model function (GMF). The objective of wind scatterometry is to estimate the wind vector field from sigma(sup 0) measurements; however, there are many subtleties that complicate this problem-making it difficult to obtain a unique wind field estimate. Conventionally, wind estimation is split into two stages: a wind retrieval stage in which several ambiguous solutions are obtained, and an ambiguity removal stage in which ambiguities are chosen to produce an appropriate wind vector field estimate. The most common approach to wind field estimation is to grid the scatterometer swath into wind vector cells and estimate wind vector ambiguities independently for each cell. Then, field wise structure is imposed on the solution by an ambiguity selection routine. Although this approach is simple and practical, it neglects field wise structure in the retrieval step and does not account for the spatial correlation imposed by the sampling. This makes it difficult to develop a theoretically appropriate noise versus resolution trade-off using pointwise retrieval. Fieldwise structure may be imposed in the retrieval step using a model-based approach. However, this approach is generally only practical if a low order wind field model is applied, which may discard more information than is desired. Furthermore, model-based approaches do not account for the structure imposed by the sampling. A more general fieldwise approach is to estimate all the wind vectors for all the WVCs simultaneously from all the measurements. This approach can account for structure of the wind field as well as structure imposed by the sampling in the wind retrieval step. Williams and Long in 2010 developed a fieldwise retrieval method based on maximum a posteriori estimation (MAP). This MAP approach can be extended to perform a noise versus resolution trade-off, and deal with ambiguity selection. This paper extends the fieldwise MAP estimation approach and investigates both the noise versus resolution trade-off as well as ambiguity removal in the fieldwise wind retrieval step. The method is then applied to the Sea Winds scatterometer and the results are analyzed. This paper extends the fieldwise MAP estimation approach and investigates both the noise versus resolution trade-off as well as ambiguity removal in the fieldwise wind retrieval step. The method is then applied to the Sea Winds scatterometer and the results are analyzed.

soil moisture↗
DOE OSTI2020

2D Retrieval Frameworks for Hot Jupiter Phase Curves

Spectroscopic phase curves provide unique access to the three-dimensional properties of transiting exoplanet atmospheres. However, a modeling framework must be developed to deliver accurate inferences of atmospheric properties for these complex data sets. Here, we develop an approach to retrieve temperature structures and molecular abundances from phase curve spectra at any orbital phase. In the context of a representative hot Jupiter with a large day–night temperature contrast, we examine the biases in typical one-dimensional (1D) retrievals as a function of orbital phase/geometry, compared to two-dimensional (2D) models that appropriately capture the disk-integrated phase geometry. We guide our intuition by applying our new framework on a simulated Hubble Space Telescope (HST)+Spitzer phase curve data set in which the “truth” is known, followed by an application to the spectroscopic phase curve of the canonical hot Jupiter, WASP-43b. We also demonstrate the retrieval framework on simulated James Webb Space Telescope (JWST) phase curve observations. We apply our new geometric framework to a joint fit of all spectroscopic phases, assuming longitudinal molecular abundance homogeneity, resulting in an a factor of 2 improvement in abundances precision when compared to individual phase constraints. With a 1D retrieval model on simulated HST+Spitzer data, we find strongly biased molecular abundances for CH{sub 4} and CO{sub 2} at most orbital phases. With 2D, the day and night profiles retrieved from WASP-43b remain consistent throughout the orbit. JWST retrievals show that a 2D model is strongly favored at all orbital phases. Based on our new 2D retrieval implementation, we provide recommendations on when 1D models are appropriate and when more complex phase geometries involving multiple TP profiles are required to obtain an unbiased view of tidally locked planetary atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

Liquid Water Cloud Properties During the Polarimeter Definition Experiment (PODEX)

We present retrievals of water cloud properties from the measurements made by the Research Scanning Polarimeter (RSP) during the Polarimeter Definition Experiment (PODEX) held between January 14 and February 6, 2013. The RSP was onboard the high-altitude NASA ER-2 aircraft based at NASA Dryden Aircraft Operation Facility in Palmdale, California. The retrieved cloud characteristics include cloud optical thickness, effective radius and variance of cloud droplet size distribution derived using a parameter-fitting technique, as well as the complete droplet size distribution function obtained by means of Rainbow Fourier Transform. Multi-modal size distributions are decomposed into several modes and the respective effective radii and variances are computed. The methodology used to produce the retrieval dataset is illustrated on the examples of a marine stratocumulus deck off California coast and stratus/fog over California's Central Valley. In the latter case the observed bimodal droplet size distributions were attributed to two-layer cloud structure. All retrieval data are available online from NASA GISS website.

Electromagnetic scattering↗
NASA NTRS2006

Impact of Three-Dimensional Radiative Effects on Satellite Retrievals of Cloud Droplet Sizes

There are several dozen papers that study the effects of cloud horizontal inhomogeneity on the retrievals of cloud optical thickness, but only a few of them deal with cloud droplet sizes. This paper is one of the first comprehensive attempts to fill this gap: It takes a close theoretical look at the radiative effects of cloud 3-D structure in retrievals of droplet effective radii. Under some general assumptions, it was found that ignoring subpixel (unresolved) variability produces a negative bias in the retrieved effective radius, while ignoring cloud inhomogeneity at scales larger than a pixel scale (resolved variability), on the contrary, leads to overestimation of the domain average droplet size. The theoretical results are illustrated with examples from Large Eddy Simulations (LES) of cumulus (Cu) and stratocumulus (Sc) cloud fields. The analysis of cloud drop size distributions retrieved from both LES fields confirms that ignoring shadowing in 1-D retrievals results in substantial overestimation of effective radii which is more pronounced for broken Cu than for Sc clouds. Collocated measurements of broken Cu clouds by Moderate Resolution Imaging Spectrometer (MODIS) and Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) are used to check simulations and theory with observations. The analysis of ASTER and MODIS data and associated derived products recommends against blindly using retrieved effective radii for broken cloud fields, especially if one wants to relate aerosol amounts to cloud droplet sizes.

Marshak, Alexander↗
DOE OSTI2020

Impacts of Degradation on Water, Energy, and Carbon Cycling of the Amazon Tropical Forests

Selective logging, fragmentation, and understory fires directly degrade forest structure and composition. However, studies addressing the effects of forest degradation on carbon, water, and energy cycles are scarce. Here, we integrate field observations and high-resolution remote sensing from airborne lidar to provide realistic initial conditions to the Ecosystem Demography Model (ED-2.2) and investigate how disturbances from forest degradation affect gross primary production (GPP), evapotranspiration (ET), and sensible heat flux (H). We used forest structural information retrieved from airborne lidar samples (13,500 ha) and calibrated with 817 inventory plots (0.25 ha) across precipitation and degradation gradients in the eastern Amazon as initial conditions to ED-2.2 model. Our results show that the magnitude and seasonality of fluxes were modulated by changes in forest structure caused by degradation. During the dry season and under typical conditions, severely degraded forests (biomass loss ≥66%) experienced water stress with declines in ET (up to 34%) and GPP (up to 35%) and increases of H (up to 43%) and daily mean ground temperatures (up to 6.5°C) relative to intact forests. In contrast, the relative impact of forest degradation on energy, water, and carbon cycles markedly diminishes under extreme, multiyear droughts, as a consequence of severe stress experienced by intact forests. Our results highlight that the water and energy cycles in the Amazon are driven by not only climate and deforestation but also the past disturbance and changes of forest structure from degradation, suggesting a much broader influence of human land use activities on the tropical ecosystems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

Impacts of Degradation on Water, Energy, and Carbon Cycling of the Amazon Tropical Forests

Selective logging, fragmentation, and understory fires directly degrade forest structure and composition. However, studies addressing the effects of forest degradation on carbon, water, and energy cycles are scarce. Here, we integrate field observations and high‐resolution remote sensing from airborne lidar to provide realistic initial conditions to the Ecosystem Demography Model (ED‐2.2) and investigate how disturbances from forest degradation affect gross primary production (GPP), evapotranspiration (ET), and sensible heat flux (H). We used forest structural information retrieved from airborne lidar samples (13,500 ha) and calibrated with 817 inventory plots (0.25 ha) across precipitation and degradation gradients in the eastern Amazon as initial conditions to ED‐2.2 model. Our results show that the magnitude and seasonality of fluxes were modulated by changes in forest structure caused by degradation. During the dry season and under typical conditions, severely degraded forests (biomass loss ≥66%) experienced water stress with declines in ET (up to 34%) and GPP (up to 35%) and increases of H (up to 43%) and daily mean ground temperatures (up to 6.5°C) relative to intact forests. In contrast, the relative impact of forest degradation on energy, water, and carbon cycles markedly diminishes under extreme, multiyear droughts, as a consequence of severe stress experienced by intact forests. Our results highlight that the water and energy cycles in the Amazon are driven by not only climate and deforestation but also the past disturbance and changes of forest structure from degradation, suggesting a much broader influence of human land use activities on the tropical ecosystems.

Marcos Longo↗
NASA NTRS1991

Determination of precipitation profiles from airborne passive microwave radiometric measurements

This study presents the first quantitative retrievals of vertical profiles of precipitation derived from multispectral passive microwave radiometry. Measurements of microwave brightness temperature (Tb) obtained by a NASA high-altitude research aircraft are related to profiles of rainfall rate through a multichannel piecewise-linear statistical regression procedure. Statistics for Tb are obtained from a set of cloud radiative models representing a wide variety of convective, stratiform, and anvil structures. The retrieval scheme itself determines which cloud model best fits the observed meteorological conditions. Retrieved rainfall rate profiles are converted to equivalent radar reflectivity for comparison with observed reflectivities from a ground-based research radar. Results for two case studies, a stratiform rain situation and an intense convective thunderstorm, show that the radiometrically derived profiles capture the major features of the observed vertical structure of hydrometer density.

Kummerow, Christian↗
DOE OSTI2024

RCSB Protein Data Bank: supporting research and education worldwide through explorations of experimentally determined and computationally predicted atomic level 3D biostructures

The Protein Data Bank (PDB) was established as the first open-access digital data resource in biology and medicine in 1971 with seven X-ray crystal structures of proteins. Today, the PDB houses >210 000 experimentally determined, atomic level, 3D structures of proteins and nucleic acids as well as their complexes with one another and small molecules ( e.g. approved drugs, enzyme cofactors). These data provide insights into fundamental biology, biomedicine, bioenergy and biotechnology. They proved particularly important for understanding the SARS-CoV-2 global pandemic. The US-funded Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and other members of the Worldwide Protein Data Bank (wwPDB) partnership jointly manage the PDB archive and support >60 000 `data depositors' (structural biologists) around the world. wwPDB ensures the quality and integrity of the data in the ever-expanding PDB archive and supports global open access without limitations on data usage. The RCSB PDB research-focused web portal at https://www.rcsb.org/ (RCSB.org) supports millions of users worldwide, representing a broad range of expertise and interests. In addition to retrieving 3D structure data, PDB `data consumers' access comparative data and external annotations, such as information about disease-causing point mutations and genetic variations. RCSB.org also provides access to >1 000 000 computed structure models (CSMs) generated using artificial intelligence/machine-learning methods. To avoid doubt, the provenance and reliability of experimentally determined PDB structures and CSMs are identified. Related training materials are available to support users in their RCSB.org explorations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Ultrafast electron diffraction: Visualizing dynamic states of matter

Since the discovery of electron-wave duality, electron scattering instrumentation has developed into a powerful array of techniques for revealing the atomic structure of matter. Beyond detecting local lattice variations in equilibrium structures with the highest possible spatial resolution, recent research efforts have been directed toward the long-sought-after dream of visualizing the dynamic evolution of matter in real time. The atomic behavior at ultrafast timescales carries critical information on phase transition and chemical reaction dynamics, the coupling of electronic and nuclear degrees of freedom in materials and molecules, and the correlation among structure, function, and previously hidden metastable or nonequilibrium states of matter. Ultrafast electron pulses play an essential role in this scientific endeavor, and their generation has been facilitated by rapid technical advances in both ultrafast laser and particle accelerator technologies. Here this review presents a summary of the noteworthy developments in this field in the last few decades. The physics and technology of ultrafast electron beams is presented with an emphasis on the figures of merit most relevant for ultrafast electron diffraction experiments. Recent developments in the generation, manipulation, and characterization of ultrashort electron beams aimed at improving the combined spatiotemporal resolution of these measurements are discussed. The fundamentals of electron scattering from atomic matter and the theoretical frameworks for retrieving dynamic structural information from solid-state and gas-phase samples is described. Essential experimental techniques and several landmark works that have applied these approaches are also highlighted to demonstrate the widening applicability of these methods. Ultrafast electron probes with ever-improving capabilities, combined with other complementary photon-based or spectroscopic approaches, hold tremendous potential for revolutionizing our ability to observe and understand energy and matter at atomic scales.

43 PARTICLE ACCELERATORS↗
NASA NTRS2008

Relating a Spectral Index from MODIS and Tower-based Measurements to Ecosystem Light Use Efficiency for a Fluxnet-Canada Coniferous Forest

As part of the North American Carbon Program effort to quantify the terrestrial carbon budget of North America, we have been examining the possibility of retrieving ecosystem light use efficiency (LUE, the carbon sequestered per unit photosynthetically active radiation) directly from satellite observations. Our novel approach has been to compare LUE derived from tower fluxes with LUE estimated using spectral indices computed from MODIS satellite observations over forests in the Fluxnet-Canada Research Network, using the MODIS narrow ocean bands acquired over land. We matched carbon flux data collected around the time of the MODIS mid-day overpass for over one hundred relatively clear days in five years (2001-2006) from a mature Douglas fir forest in British Columbia. We also examined hyperspectral reflectance data collected diurnally from the tower in conjunction with the eddy correlation fluxes and meteorological measurements made throughout the 2006 growing season at this site. The tower-based flux data provided an opportunity to examine diurnal and seasonal LUE processes and their relationship to spectral indices at the scale of the forest stand. We evaluated LUE in conjunction with the Photochemical Reflectance Index (PRI), a normalized difference spectral index that uses 531 nm and a reference band to capture responses to high light induced stress afforded by the xanthophyll cycle. Canopy structure information, retrieved from airborne laser scanning radar (LiDAR) observations, was used to partition the forest canopy into sunlit and shaded fractions throughout the day, on numerous days during 2006. At each observation period throughout a day, the PRI was examined for the sunlit, shaded, and intermediate canopy segments defined by their instantaneous position relative to the solar principal plane (SPP). The sunlit sector was associated with the illumination "hotspot" (the reflectance backscatter maximum), the shaded sector with the "cold or dark spot" (the reflectance forward scatter minimum), while the intermediate, mixed sunlit/shade sector was located in the cross-plane to the SPP. The PRI indices clearly captured the differences in leaf groups, with sunlit foliage exhibiting the lowest values on sunny days throughout the 2006 season. When tower-based canopy-level LUE was recalculated to estimate foliage-based values (LUE(sub foilage) for the three foliage groups under their incident light environments, a strong linear relationship for PRI:LUE(sub foilage) was demonstrated (0.6 less than or equal to r(sup 2) less than or equal to 0.8, n=822, P<0.0001). The MODIS data represent relatively large areas when acquired at nadir (approx.1 sq km) or at variable off-nadir view angles (greater than or equal to 1 sq km) looking forward or aft. Nevertheless, a similar relationship between MODIS PRI and tower-based LUE was obtained from satellite observations (r(sup 2) = 0.76, n=105, P= 0.026) when the azimuth offsets from the SPP for off-nadir observations were considered. At this relatively high latitude of 50 degrees, the MODIS directional observations were offset from the SPP by approximately 50 degrees, but still represented backscatter or forward scatter sectors of the bidirectional reflectance distribution function (BRDF). The backscatter observations sampled the sunlit forest and provided lower PRI values, in general, than the forward scatter observations from the shaded forest. Since the hotspot and darkspot were not typically directly observed, the dynamic range for MODIS PRI was less than that observed in the SPP at the canopy level; therefore, MODIS PRI values were more similar to those observed in sifu in the BRDF cross-plane. While not ideal in terms of spatial resolution or optimal viewing configuration, the MODIS observations nevertheless provide a means to monitor forest under stress using narrow spectral band indices and off-nadir observations. This research has stimulated several spin-off studies for remote sensinf LUE, and demonstrates the importance of the connection between ecosystem structure and physiological function.

Middleton, Elizabeth M.↗
DOE OSTI2021

Unpacking the drivers of diurnal dynamics of sun-induced chlorophyll fluorescence (SIF): Canopy structure, plant physiology, instrument configuration and retrieval methods

Sun-induced chlorophyll fluorescence (SIF) from spaceborne sensors is a promising tool for global carbon cycle monitoring, but its application is constrained by insufficient understanding of the drivers underlying diurnal SIF dynamics. SIF measurements from ground-based towers can reveal diurnal SIF dynamics across biomes and environmental conditions; however, meaningful interpretation of diurnal variations requires disentangling impacts from canopy structure, plant physiology, instrument configuration and retrieval methods, which often interact with and confound each other. This study aims to unpack these drivers using 1) concurrent ground and airborne canopy-scale and leaf-scale measurements at a corn field, 2) a mechanistic SIF model that explicitly considers the dynamics of photochemistry (via the fraction of open photosystem II reaction centers, qL) and photoprotection (via nonphotochemical quenching, NPQ) as well as their interactive dependence on the sub-canopy light environment, and 3) cross-comparison of SIF instrument configurations and retrieval methods. We found that crop row orientations and sun angles can introduce a distinctive midday dip in SIF in absence of stress, due to a midday drop of absorbed photosynthetically active radiation (APAR) when crop rows are north-south oriented. Canopy structure caused distinctive responses in both qL and NPQ at different positions within the vertical canopy that collectively influenced fluorescence quantum yield (Φ F ) at the leaf scale. Once integrated at the canopy scale, diurnal dynamics of both APAR and canopy escape probability (ε) are critical for accurately shaping diurnal SIF variations. While leaf-level qL and NPQ exhibited strong diurnal dynamics, their influence was attenuated at the canopy scale due to opposing effects on SIF at different canopy layers. Furthermore, different system configurations (i.e., bi-hemispherical vs. hemispherical-conical) and retrieval methods can bias the SIF magnitude and distort its diurnal shapes, therefore confounding the interpretation of inherent strength and dynamics of SIF emission. Our findings demonstrate the importance of crop row structures, interactive variations in canopy structure and plant physiology, instrument configuration, and retrieval method in shaping the measured dynamics of diurnal SIF. This study highlights the necessity to account for these factors to accurately interpret satellite SIF, and informs future synthesis work with different SIF instrumentation and retrieval methods across sites.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Satellite aerosols retrieval over land surfaces using the structure functions

Remote sensing of aerosol optical thickness from space is difficult over continental surfaces. There are two retrieval algorithms, one based on the use of dark targets and a second based on contrast reduction between selected pixels. Improvements in the contrast reduction method are reported. A procedure is developed for using the satellite image to evaluate whether conditions for applying the structure method are met. The theoretical background is discussed, and the usefulness of the structure functions is demonstrated. The method is applied to NOAA Advanced Very High Resolution Radiometer (AVHRR) imagery where simultaneous ground measurements are used for validation.

Tanre, D.↗
DOE OSTI2021

High-Resolution Imaging of Unstained Polymer Materials

Electron microscopy has played an important role in polymer characterization. Traditionally, electron diffraction is used to study crystalline polymers while transmission electron microscopy is used to study microphase separation in stained block copolymers and other multiphase systems. We describe developments that eliminate the barrier between these two approaches - it is now possible to image polymer crystals with atomic resolution. The focus of this Review is on high-resolution imaging (30 Å and smaller) of unstained polymers. Recent advances in hardware allow for capturing numerous (as many as 105) low-dose images from an unperturbed specimen; beam damage is a significant barrier to high-resolution electron microscopy of polymers. Machine-learning-based software is then used to sort and average the images to retrieve pristine structural information from a collection of noisy images. Acknowledging the heterogeneity in polymer samples prior to averaging is essential. Molecular conformations in a wide range of amphiphilic block copolymers, polymerized ionic liquids, and conjugated polymers can be gleaned from two-dimensional projections (2D), three-dimensional (3D) tomograms, and four-dimensional (4D) scanning transmission electron microscopy (STEM) data sets where 2D diffraction patterns are taken as a function of position. Some methods such as phase contrast STEM have been used to image closely related materials such as metal-organic frameworks but not polymers. With improvements in hardware and software, such methods may soon be applied to polymers. Our goal is to provide a comprehensive understanding of the strategies toward the high-resolution imaging of radiation sensitive polymer materials at different length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deformation of Néel-type skyrmions revealed by Lorentz transmission electron microscopy

Néel-type magnetic skyrmions in multilayers are promising candidates for ultra-low power spintronic devices. To image the Néel-type skyrmions using Lorentz transmission electron microscopy (L-TEM), the samples must be tilted. Thus, the external magnetic field consists of both in-plane and out-of-plane components. To date, it is still not well known on the effect of the in-plane magnetic field on the L-TEM images, leading to ambiguities in retrieving the structure of Néel-type skyrmions. Here, Néel-type skyrmions in three [Pt/Co/Ta]$_{20}$ multilayer samples, with the easy magnetization axis being tuned from the out-of-plane to the in-plane direction by increasing the Co thickness from 1.8 to 2.2 nm, are imaged. When using a smaller defocus value (-2 mm) and a higher magnification (×9100) of L-TEM, a surprising dark-bright-dark-bright double contrasted pattern, instead of the previously reported dark-bright contrasted pattern, is observed. The additional dark-bright contrasted pattern becomes more evident for thicker Co layer samples in which the magnetization axis tilts more toward the in-plane direction. Further analysis, via a combination of magnetic force microscopy experiments, micromagnetic simulations, and micromagnetic analysis to Lorentz TEM simulation, shows that the additional dark-bright features originate from the deformation of the Néel-type skyrmions within an in-plane magnetic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Uncovering the three-dimensional structure of upconverting core–shell nanoparticles with multislice electron ptychography

In photon upconverting core–shell nanoparticles, structure strongly dictates performance. Typical imaging in scanning transmission electron microscopy has sufficient resolution to probe the atomic structure of these nanoparticles, but contrast, dose, and projection limitations make conventional methods insufficient for fully characterizing these structures. Phase retrieval techniques provide a promising alternative imaging mode, and, in particular, multislice electron ptychography can recover depth-dependent information. Here, we study beam-sensitive photon upconverting core–shell nanoparticles with a multislice ptychography approach using a low electron dose to avoid damage. Large strain fields arise in these heterostructures due to the mismatch in lattice parameter between the core and the shell. We reconstruct both a nanoparticle that appears defect-free and one that has a large break in the side and map the distribution of strain in 3D by computing distortion fields from high-resolution potential images of each slice. In the defect-free nanoparticle, we observe twisting of the shell, while in the broken nanoparticle, we measure the 3D position of the crack, the core, and dislocations. These results highlight the advantage of multislice electron ptychography to recover 3D information from a single scan, even under strict electron dose requirements from beam-sensitive samples.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Quantitative Structure Determination from Experimental Four-Dimensional Scanning Transmission Electron Microscopy via the Scattering Matrix

Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper further develops the scattering matrix approach to such structure determination. Through simulation, we demonstrate how this approach can be modified to better handle partial spatial coherence, unknown probe defocus, and information from the dark field region. By combining these developments we reconstruct the electrostatic potential of a monolithic SrTiO 3 crystal showing good quantitative agreement with the expected structure.

4D STEM↗