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At least 1,045 records · Page 58

Errors in reconstruction of dichroic X-ray orientation tomography due to polarization rotation of the incident beam

Dichroic X-ray tomography is a technique in which the crystal orientation or magnetization of a sample is resolved in three dimensions. The best-known uses of this technique are for observation of magnetic moments via circular dichroism, using left- and right-handed circularly polarized X-ray beams. Another variant uses linear dichroism to resolve the crystal orientation. In both these techniques, it is assumed that the absorption of X-rays along a path inside a material can be computed as a line integral of a local absorption coefficient along the ray path. For linear dichroism, this assumption is inaccurate because the polarization of the beam changes along the propagation direction when the optic axis of the material is not aligned along the polarization. In this work, a finite-element Maxwell solver is used to simulate tomography and reconstructions. The propagation effect can lead to significant errors in the reconstructed orientations. These errors may be mitigated by taking data at additional angles or by operating at energies at which the dichroism is weak. An iterative approach is proposed which may allow accurate reconstruction with fewer data than would otherwise be required.

X-ray linear dichroism↗

Laboratory time series moisture manipulative experiment from sediment across the contiguous US: time series aerobic respiration and geochemistry (v2)

This dataset supports a broader study examining the effects of wetting and drying on hyporheic zone respiration across the contiguous United States (CONUS). The dataset provides data generated from a laboratory moisture manipulation experiment. The contents include time series aerobic respiration and moisture; dissolved oxygen; sediment geochemistry data; and field metadata (including qualitative information on instream and river corridor characteristics). Samples were collected as part of the WHONDRS CONUS-Scale Model-Sample Study (CM). This study was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the CONUS. The data package associated with the CM study is available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689. CM sampling began in April 2022 and ended in October 2023. This study uses subsamples from a subset of CM samples collected between June 2022 and June 2023. The original field samples were labeled as CM_###. Subsequent subsamples for this study were labeled as EC_###. The labels from the field samples and the EC subsamples can be mapped directly based on the digits following the prefix and underscore (i.e., EC_001 is a subsample from CM_001). See the critical details section below for more details on sample naming. This data package was originally published in August 2024. It was updated in February 2026 (v2; new and modified files). See the change history section in the readme for more details. For details on how to navigate this data package, see this infographic from the River Corridor SFA https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) field protocol; and a (6) a subfolder with sediment sample data from the incubation experiment. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC); (2) total nitrogen (TN); (3) adenosine triphosphate (ATP); (4) percent carbon and nitrogen; (5) effect size; (6) iron (II); (7) gravimetric moisture; (8) respiration rates and raw dissolved oxygen values; (9) specific conductance; (10) pH; (11) temperature; (12) a summary containing median values of each data type for each treatment (wet and dry); (13) methods codes; (14) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla FTICR-MS data. This folder contains three subfolders, one containing the sediment .xml data files, one containing the sediment CoreMS output files, the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .ref, or .xml.

54 ENVIRONMENTAL SCIENCES↗

Multiplication of Freestanding Compound Semiconductor Membranes from a Single Wafer by Alternating Growth with 2D Materials

Single-crystal compound semiconductors, such as III-N and III-V, are important building blocks for functional devices due to their high electron mobilities, wide range of bandgaps, and excellent optoelectronic properties. However, current methods to produce their freestanding membranes for heterointegration suffer from slow processes or poor material quality. Here, we demonstrate an approach to grow and harvest multiple wafer-scale single-crystal membranes with high throughput by introducing weak van der Waals interfaces between epitaxial layers. This is achieved by directly growing two-dimensional (2D) materials on compound semiconductors in their native deposition systems, which enables alternating growth of 2D material and compound semiconductor epitaxial layers in a single run. Each epilayer in the multi-stack structure is then sequentially harvested by mechanical exfoliation, producing multiple freestanding single-crystal membranes with extremely high throughput from a single wafer, primed for integration in mixed-dimensional heterostructures.

Han, Ne Myo↗

Multiplication of Freestanding Compound Semiconductor Membranes from a Single Wafer by Alternating Growth with 2D Materials

Single-crystal compound semiconductors, such as III-N and III-V, are important building blocks for functional devices due to their high electron mobilities, wide range of bandgaps, and excellent optoelectronic properties. However, current methods to produce their freestanding membranes for heterointegration suffer from slow processes or poor material quality. Here, we demonstrate an approach to grow and harvest multiple wafer-scale single-crystal membranes with high throughput by introducing weak van der Waals interfaces between epitaxial layers. This is achieved by directly growing two-dimensional (2D) materials on compound semiconductors in their native deposition systems, which enables alternating growth of 2D material and compound semiconductor epitaxial layers in a single run. Each epilayer in the multi-stack structure is then sequentially harvested by mechanical exfoliation, producing multiple freestanding single-crystal membranes with extremely high throughput from a single wafer, primed for integration in mixed-dimensional heterostructures.

Han, Ne Myo↗

Automated model formulation for time-varying flexible structures

Presented here is an identification technique that uses the sensor information to choose a new model out of a finite set of discrete model space, in order to follow the observed changes to the given time varying flexible structure. Boundary condition sets or other information on model variations are used to organize the set of possible models laterally into a search tree with levels of abstraction used to order the models vertically within branches. An object-oriented programming approach is used to represent the model set in the search tree. A modified A (asterisk) best first search algorithm finds the model where the model response best matches the current observations. Several extensions to this methodology are discussed. Methods of possible integration of rules with the current search algorithm are considered to give weight to interpreted trends that may be found in a series of observations. This capability might lead, for instance, to identifying a model that incorporates a progressive damage rather than with incorrect paramenters such as added mass. Another new direction is to consider the use of noisy time domain sensor feedback rather than frequency domain information in the search algorithm to improve the real-time capability of the developed procedure.

Glass, B. J.↗

Estimation of diastolic intraventricular pressure gradients by Doppler M-mode echocardiography

Previous studies have shown that small intraventricular pressure gradients (IVPG) are important for efficient filling of the left ventricle (LV) and as a sensitive marker for ischemia. Unfortunately, there has previously been no way of measuring these noninvasively, severely limiting their research and clinical utility. Color Doppler M-mode (CMM) echocardiography provides a spatiotemporal velocity distribution along the inflow tract throughout diastole, which we hypothesized would allow direct estimation of IVPG by using the Euler equation. Digital CMM images, obtained simultaneously with intracardiac pressure waveforms in six dogs, were processed by numerical differentiation for the Euler equation, then integrated to estimate IVPG and the total (left atrial to left ventricular apex) pressure drop. CMM-derived estimates agreed well with invasive measurements (IVPG: y = 0.87x + 0.22, r = 0.96, P < 0.001, standard error of the estimate = 0.35 mmHg). Quantitative processing of CMM data allows accurate estimation of IVPG and tracking of changes induced by beta-adrenergic stimulation. This novel approach provides unique information on LV filling dynamics in an entirely noninvasive way that has previously not been available for assessment of diastolic filling and function.

Non-NASA Center↗

The GPM GV Program

We present a detailed overview of the structure and activities associated with the NASA-led ground validation component of the NASA-JAXA Global Precipitation Measurement (GPM) mission. The overarching philosophy and approaches for NASA’s GV program are presented with primary focus placed on aspects of direct validation and a summary of physical validation campaigns and results. We describe a spectrum of key instruments, methods, field campaigns and data products developed and used by NASA’s GV team to verify GPM level-2 precipitation products in rain and snow. We describe the tools and analysis framework used to confirm that NASA’s Level-1 science requirements for GPM are met by the GPM Core Observatory. Examples of routine validation activities related to verification of Integrated Multi-satellitE Retrievals for GPM (IMERG) products for two different regions of the globe (Korea and the U.S.) are provided, and a brief analysis related to IMERG performance in the extreme rainfall event associated with Hurricane Florence is discussed.

Radar↗

A survey of payload integration methods

Several full-scale and short-cut methods for analyzing a booster/payload system are presented. Two full-scale techniques are considered: (1) a technique that uses a restrained payload together with a free-booster model, the latter being augmented with residual mass and stiffness correction and (2) a technique that uses a restrained payload and booster model. Both techniques determine the 'modal modes', which require the solution of a system eigenvalue problem; the loads usually are then determined via an acceleration approach. A brief description is given of a number of short-cut methods which are of special interest to Shuttle payload design: structural modification, base drive, and interface impedance methods. Directions for further research and development are suggested.

Engels, R. C.↗

Harnessing the Risk-Related Data Supply Chain: An Information Architecture Approach to Enriching Human System Research and Operations Knowledge

NASA's Human Research Program (HRP) and Space Life Sciences Directorate (SLSD), not unlike many NASA organizations today, struggle with the inherent inefficiencies caused by dependencies on heterogeneous data systems and silos of data and information spread across decentralized discipline domains. The capture of operational and research-based data/information (both in-flight and ground-based) in disparate IT systems impedes the extent to which that data/information can be efficiently and securely shared, analyzed, and enriched into knowledge that directly and more rapidly supports HRP's research-focused human system risk mitigation efforts and SLSD s operationally oriented risk management efforts. As a result, an integrated effort is underway to more fully understand and document how specific sets of risk-related data/information are generated and used and in what IT systems that data/information currently resides. By mapping the risk-related data flow from raw data to useable information and knowledge (think of it as the data supply chain), HRP and SLSD are building an information architecture plan to leverage their existing, shared IT infrastructure. In addition, it is important to create a centralized structured tool to represent risks including attributes such as likelihood, consequence, contributing factors, and the evidence supporting the information in all these fields. Representing the risks in this way enables reasoning about the risks, e.g. revisiting a risk assessment when a mitigation strategy is unavailable, updating a risk assessment when new information becomes available, etc. Such a system also provides a concise way to communicate the risks both within the organization as well as with collaborators. Understanding and, hence, harnessing the human system risk-related data supply chain enhances both organizations' abilities to securely collect, integrate, and share data assets that improve human system research and operations.

Buquo, Lynn↗

Accelerating large scale de novo metagenome assembly using GPUs

Metagenomic workflows involve studying uncultured microorganisms directly from the environment. These environmental samples when processed by modern sequencing machines yield large and complex datasets that exceed the capabilities of metagenomic software. The increasing sizes and complexities of datasets make a strong case for exascale-capable metagenome assemblers. However, the underlying algorithmic motifs are not well suited for GPUs. This poses a challenge since the majority of next-generation supercomputers will rely primarily on GPUs for computation. In this paper we present the first of its kind GPU-Accelerated implementation of the local assembly approach that is an integral part of a widely used large-scale metagenome assembler, MetaHipMer. Local assembly uses algorithms that induce random memory accesses and non-deterministic workloads, which make GPU offloading a challenging task. Our GPU implementation outperforms the CPU version by about 7x and boosts the performance of MetaHipMer by 42% when running on 64 Summit nodes.

Awan, Muaaz Gul↗

Adamantine 1.0: A Thermomechanical Simulator for Additive Manufacturing

Adamantine is a thermomechanical simulation code that is written in C++ and built on top of deal.II (Arndt et al., 2023), p4est (Burstedde et al., 2011), ArborX (Lebrun-Grandié et al., 2020), Trilinos (The Trilinos Project Team, 2020), and Kokkos (Trott et al., 2022). Adamantine was developed with additive manufacturing in mind and it is particularly well adapted to simulate fused filament fabrication, directed energy deposition, and powder bed fusion. Adamantine employs the finite element method with adaptive mesh refinement to solve a nonlinear anisotropic heat equation, enabling support for various additive manufacturing processes. It can also perform elastoplastic and thermoelastoplastic simulations. It can handle materials in three distinct phases (solid, liquid, and powder) to accurately reflect the physical state during different stages of the manufacturing process. To enhance simulation accuracy, adamantine incorporates data assimilation techniques (Asch et al., 2016). This allows it to integrate experimental data from sensors like thermocouples and infrared (IR) cameras. This combined approach helps account for errors arising from input parameters, material properties, models, and numerical calculations, leading to more realistic simulations that reflect what occurs in a particular print.

36 MATERIALS SCIENCE↗

The human as supervisor in automated systems

This hierarchical approach to information display forces the development of a set of human oriented system models which will guide the design of the displays. If the appropriate information is provided at the appropriate time, it is likely that less information will be displayed at any given time, and the quality of the displayed information will require less operator effort to integrate into an assimilatable form. A problem with contemporary control rooms is that there is too much information for an operator to be able to assimilate quickly, easily, and accurately. It is suggested that necessary direction for research in the area of automated control room design is to develop displays which provide active decision aiding for the modern controller. Displays are needed which provide information compatible with the operator's current internal model, filter out irrelevant information, and summarize and condense lower level information.

Mitchell, C. M.↗

The GPM Ground Validation Program

We present a detailed overview of the structure and activities associated with the NASA-led ground-validation component of the NASA-JAXA Global Pre­cipitation Measurement (GPM) mission. The overarching philosophy and approaches for NASA's GV program are presented with primary focus placed on aspects of direct validation and a summary of physical validation campaigns and results. We describe a spectrum of key instruments, methods, field campaigns and data products developed and used by NASA's GV team to verify GPM level-2 precipitation products in rain and snow. We describe the tools and analysis framework used to confirm that NASA's Level-I science requirements for GPM are met by the GPM Core Observatory. Examples of routine validation activities related to verification of Integrated Multi­satellitE Retrievals for GPM (IMERG) products for two different regions of the globe (Korea and the US) are provided, and a brief analysis related to IMERG performance in the extreme rainfall event associated with Hurricane Florence is discussed.

precipitation↗

Real-Time Hardware-in-the-Loop Testbed to Evaluate FLISR Implemented with OpenFMB

With the increasing complexity of the distribution smart grid architecture, algorithms such as the fault location, isolation, and service restoration (FLISR) scheme rely on robust communications that are resilient to natural and man-made adverse conditions and exhibit robustness. Existing communications infrastructure for information exchange are centralized at the distribution management system, with very little autonomy or intelligence at the grid-edge. As a first step towards achieving grid-edge self-healing, this paper aims to bridge this shortcoming by implementing a centrally coordinated rules-based FLISR scheme and integrating it with Open Field Message Bus (OpenFMB), which is a flexible publish-subscribe architecture with the potential to enable point-to-multipoint communications and is more robust and resilient to natural and man-made adverse conditions. A proof of concept is developed to validate the centrally coordinated FLISR and OpenFMB mounted on an SEL-3360 computer that interacts with a simple feeder network of five SEL-651R relays, an SEL-3530 RTAC, and a hardware-in-the-loop testbed. Results demonstrate the efficacy of this approach in enabling direct, low-latency information exchange. OpenFMB's publish-subscribe data model also opens new ways to enable grid-edge interoperability among devices of different vendors interacting with different protocols.

Sundararajan, Aditya↗

Challenges and Future Directions in Quantifying Terrestrial Evapotranspiration

Terrestrial evapotranspiration is the second-largest component of the land water cycle, linking the water, energy, and carbon cycles and influencing the productivity and health of ecosystems. The dynamics of ET across a spectrum of spatiotemporal scales and their controls remain an active focus of research across different science disciplines. Here, we provide an overview of the current state of ET science across in situ measurements, partitioning of ET, and remote sensing, and discuss how different approaches complement one another based on their advantages and shortcomings. We aim to facilitate collaboration among a cross-disciplinary group of ET scientists to overcome the challenges identified in this paper and ultimately advance our integrated understanding of ET.

54 ENVIRONMENTAL SCIENCES↗

bnl/pub-Maffettone_2020_08

The application of the XCA package as first demonstrated in aXiv:2008.00283. ABSTRACT: The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain manual, time consuming, error prone, and impossible to scale. With the advent of autonomous robotic scientists or self-driving labs, contemporary techniques prohibit the integration of XRD. Here, we describe a computer program for the autonomous characterization of XRD data, driven by artificial intelligence (AI), for the discovery of new materials. Starting from structural databases, we train an ensemble model using a physically accurate synthetic dataset, which output probabilistic classifications --- rather than absolutes --- to overcome the overconfidence in traditional neural networks. This AI agent behaves as a companion to the researcher, improving accuracy and offering unprecedented time savings, and is demonstrated on a diverse set of organic and inorganic materials challenges. This innovation is directly applicable to inverse design approaches, robotic discovery systems, and can be immediately considered for other forms of characterization such as spectroscopy and the pair distribution function.

Maffettone, PhillipM [Brookhaven National Lab. (BN↗

NASA Education Activities on the International Space Station: A National Laboratory for Inspiring, Engaging, Educating and Employing the Next Generation

The International Space Station (ISS) National Lab Education Project has been created as a part of the ISS National Lab effort mandated by the U.S. Congress The project seeks to expand ISS education of activities so that they reach a larger number of students with clear educational metrics of accomplishments. This paper provides an overview of several recent ISS educational payloads and activities. The expected outcomes of the project, consistent with those of the NASA Office of Education, are also described. NASA performs numerous education activities as part of its ISS program. These cover the gamut from formal to informal educational opportunities in grades Kindergarten to grade 12, Higher Education (undergraduate and graduate University) and informal educational venues (museums, science centers, exhibits). Projects within the portfolio consist of experiments performed onboard the ISS using onboard resources which require no upmass, payloads flown to ISS or integrated into ISS cargo vehicles, and ground based activities that follow or complement onboard activities. Examples include ground based control group experiments, flight or experiment following lesson plans, ground based activities involving direct interaction with ISS or ground based activities considering ISS resources in their solution set. These projects range from totally NASA funded to projects which partner with external entities. These external agencies can be: other federal, state or local government agencies, commercial entities, universities, professional organizations or non-profit organizations. This paper will describe the recent ISS education activities and discuss the approach, outcomes and metrics associated with the projects.

Severance, Mark T.↗

Conclusion

This compilation of papers in this book represents approximately half of the works discussed at the MS&T 2010 symposium entitled Tools, Models, Databases, and Simulation Tools Developed and Needed to Realize the Vision of Integrated Computational Materials Engineering at Materials Science & Technology wherein five sessions comprised of 33 presentations was organized. The goal of the symposium was two fold To provide a forum in which current state-of-the-art methods for ICME (e.g., information informatics, experimentation, and modeling) could be openly discussed and critiqued by not only materials scientist but also structural engineers/researchers, component designers, industrial leaders and government program managers. To leave the symposium and in particular the panel discussion with a clear idea of the gaps and barriers (both technical, cultural and economical) that must be addressed in order for ICME to fully succeed. The organizers felt that these goals were met, as particularly evident by the standing room only attendance during a lively panel discussion session at the end of the Symposium. However it is the firm belief of the editors of this book that this symposium was merely a start in the right direction, and that subsequent conferences/symposium (e.g., First World Congress on Integrated Computational Materials Engineering to be held July 10-14, 2011 at Seven Springs Mountain Resort in Pennsylvania) must work hard to ensure that a truly diverse, multidisciplinary, community of researchers and practitioners are present and have ample opportunity for interaction. This will ensure that a proper balance between push and pull disciplines and technologies is maintained so that this emerging focus area, Integrated Computational Materials Engineering (ICME), has the greatest potential for success and impact on "system-level" payoffs. Similarly, a pro-active approach is required to reform historical modes of operation in industry, government and the academic sectors so as to facilitate multidisciplinary collaboration and to clearly articulate the vision and scope of ICME.

Arnold, Steven M.↗