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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Formation and coarsening of epitaxially-supported metal nanoclusters

This mini-review describes developments over the last ~30 years in characterizing the nucleation & growth of epitaxially-supported metal nanoclusters (NCs) or islands during vapor deposition, as well as their post-deposition coarsening. A beyond-mean-field treatment for homogeneous nucleation & growth corrects the deficiencies of traditional treatments in describing, e.g., the island size distribution, but also necessitates consideration of the spatial distribution of islands and their capture zones. We discuss advances in modeling capabilities, including those based upon on an ab-initio level treatment of periphery diffusion kinetics, for description of the non-equilibrium growth shapes of these NCs, focusing on 2D NCs. For post-deposition coarsening of arrays of NCs, there is generally a competition between Ostwald Ripening (OR) and Smoluchowski Ripening (SR). SR is also known as Particle Migration & Coalescence. For 2D NCs in homoepitaxial systems, conventional OR is observed on pristine fcc(111) surfaces, dramatically enhanced OR in the presence of even trace amounts of chalcogens for Cu(111) and Ag(111), and anomalous OR on anisotropic fcc(110) surfaces. The unexpected discovery of SR for fcc(100) homoepitaxial systems prompted extensive analysis of the underlying diffusivities of 2D NCs as a function of size, as well as of NC coalescence dynamics. A comprehensive understanding of these processes is now available. Self-assembly of 3D NCs during deposition, issues related to heterogeneous nucleation, directed assembly, NC growth structure selection, and coarsening are addressed. Finally, for SR of 3D epitaxial NCs, recent insights into the size-dependence of diffusivity are described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quantification of the Crack Evolution Process by Extracting Relevant Signal Components from Wave Propagation and Diffusive Transport Front Measurements

Wave propagation and diffusive transport phenomena in a geological rock sample undergoing crack evolution process are expected to interact with the mechanical discontinuities in the medium. The measurements of the signals associated with these phenomena can be used to assess and monitor the crack-driven micromechanical alterations in the rock. Different wave/diffusion phenomena, such as sonic propagation, pressure diffusion, and acoustic emission (AE), are sensitive to different elements of the mechanical discontinuities generated during the evolution of the crack clusters from initiation to coalescence. Sonic propagation, AE, and pressure diffusion monitoring have the potential to map the crack evolution because the transmitter-receiver arrays can be designed, arranged and tuned to (1) achieve maximum recovery of the scattered waveforms and travel times, (2) capture the later arrivals and multiple reflections, and (3) illuminate large rock volume. However, the structural/topological complexities of the mechanical discontinuities, complex distribution of the stress fields, complex mechanical alterations in media, and fluid redistribution in the crack system pose serious challenges for the detection and modeling of the crack evolution process (from here on, we will use the term ‘crack evolution process’ to mean that the crack evolution occurred under shallow crustal conditions). For purposes of accurately accounting such complexities and heterogeneities in the absence of reliable physical laws, simulation methods, and signal processing techniques, my early-career research proposal will develop and apply novel data-driven machine learning methods to: (1) extract signal components relevant to the various phases of crack evolution and (2) generate a 2D visual map of the crack evolution process.

58 GEOSCIENCES↗

NASA NTRS1980

Executive and communications services to support the IPAD environment

The principal purposes of the prototype executive software are to provide a system independent interface to the underlying host system and to allow for extension to full IPAD executive services as described in the preliminary design. A basic set of functions is included in the prototype to meet the requirements of the other components of the prototype, principally IPID, the IPAD data management system. The functions were chosen so that they would be readily built on any of the proposed host systems with minimal redesign and execution overhead. The functions fall into five categories: access to host data, access to data files, access to communication services, data transformation, and instrumentation for performance measurement. Communication services provide message delivery between processes in a network of heterogeneous computers. Data transformation services and communication services ensure data type validity and data integrity of messages exchanged between processes.

Tanner, J. G.↗

NASA NTRS1986

Laser microprobe study of cosmic dust (IDPs) and potential source materials

The study of cosmic dust or interplanetary dust particles (IDP) can provide vital information about primitive materials derived primarily from comets and asteroids along with a small unknown fraction from the nearby interstellar medium. The study of these particles can enhance our understanding of comets along with the decoding of the history of the early solar system. In addition the study of the cosmic dust for IDP particles can assist in the elucidation of the cosmic history of the organogenic elements which are vital to life processes. Studies to date on these particles have shown that they are complex, heterogeneous assemblages of both amorphous and crystalline components. In order to understand the nature of these particles, any analytical measurements must be able to distinguish between the possible sources of these particles. A study was undertaken using a laser microprobe interfaced to a quadrupole mass spectrometer for the analysis of the volatile components present in cosmic dust particles, terrestrial contaminants present in the upper atmosphere, and primitive carbonaceous chondrites. From the study of the volatiles released from the carbonaceous materials it is hoped that one could distinguish between components and sources in the IDP particles analyzed. The technique is briefly described and results for the CI, CM, and CV chondrites and cosmic dust particle W7027B8 are presented.

Gibson, E. K., Jr.↗

NASA NTRS2000

Applications of Fractal Analytical Techniques in the Estimation of Operational Scale

The observational scale and the resolution of remotely sensed imagery are essential considerations in the interpretation process. Many atmospheric, hydrologic, and other natural and human-influenced spatial phenomena are inherently scale dependent and are governed by different physical processes at different spatial domains. This spatial and operational heterogeneity constrains the ability to compare interpretations of phenomena and processes observed in higher spatial resolution imagery to similar interpretations obtained from lower resolution imagery. This is a particularly acute problem, since longterm global change investigations will require high spatial resolution Earth Observing System (EOS), Landsat 7, or commercial satellite data to be combined with lower resolution imagery from older sensors such as Landsat TM and MSS. Fractal analysis is a useful technique for identifying the effects of scale changes on remotely sensed imagery. The fractal dimension of an image is a non-integer value between two and three which indicates the degree of complexity in the texture and shapes depicted in the image. A true fractal surface exhibits self-similarity, a property of curves or surfaces where each part is indistinguishable from the whole, or where the form of the curve or surface is invariant with respect to scale. Theoretically, if the digital numbers of a remotely sensed image resemble an ideal fractal surface, then due to the self-similarity property, the fractal dimension of the image will not vary with scale and resolution, and the slope of the fractal dimension-resolution relationship would be zero. Most geographical phenomena, however, are not self-similar at all scales, but they can be modeled by a stochastic fractal in which the scaling properties of the image exhibit patterns that can be described by statistics such as area-perimeter ratios and autocovariances. Stochastic fractal sets relax the self-similarity assumption and measure many scales and resolutions to represent the varying form of a phenomenon as the pixel size is increased in a convolution process. We have observed that for images of homogeneous land covers, the fractal dimension varies linearly with changes in resolution or pixel size over the range of past, current, and planned space-borne sensors. This relationship differs significantly in images of agricultural, urban, and forest land covers, with urban areas retaining the same level of complexity, forested areas growing smoother, and agricultural areas growing more complex as small pixels are aggregated into larger, mixed pixels. Images of scenes having a mixture of land covers have fractal dimensions that exhibit a non-linear, complex relationship to pixel size. Measuring the fractal dimension of a difference image derived from two images of the same area obtained on different dates showed that the fractal dimension increased steadily, then exhibited a sharp decrease at increasing levels of pixel aggregation. This breakpoint of the fractal dimension/resolution plot is related to the spatial domain or operational scale of the phenomenon exhibiting the predominant visible difference between the two images (in this case, mountain snow cover). The degree to which an image departs from a theoretical ideal fractal surface provides clues as to how much information is altered or lost in the processes of rescaling and rectification. The measured fractal dimension of complex, composite land covers such as urban areas also provides a useful textural index that can assist image classification of complex scenes.

Emerson, Charles W.↗

NASA NTRS2007

A Web 2.0 and OGC Standards Enabled Sensor Web Architecture for Global Earth Observing System of Systems

This paper will describe the progress of a 3 year research award from the NASA Earth Science Technology Office (ESTO) that began October 1, 2006, in response to a NASA Announcement of Research Opportunity on the topic of sensor webs. The key goal of this research is to prototype an interoperable sensor architecture that will enable interoperability between a heterogeneous set of space-based, Unmanned Aerial System (UAS)-based and ground based sensors. Among the key capabilities being pursued is the ability to automatically discover and task the sensors via the Internet and to automatically discover and assemble the necessary science processing algorithms into workflows in order to transform the sensor data into valuable science products. Our first set of sensor web demonstrations will prototype science products useful in managing wildfires and will use such assets as the Earth Observing 1 spacecraft, managed out of NASA/GSFC, a UASbased instrument, managed out of Ames and some automated ground weather stations, managed by the Forest Service. Also, we are collaborating with some of the other ESTO awardees to expand this demonstration and create synergy between our research efforts. Finally, we are making use of Open Geospatial Consortium (OGC) Sensor Web Enablement (SWE) suite of standards and some Web 2.0 capabilities to Beverage emerging technologies and standards. This research will demonstrate and validate a path for rapid, low cost sensor integration, which is not tied to a particular system, and thus be able to absorb new assets in an easily evolvable, coordinated manner. This in turn will help to facilitate the United States contribution to the Global Earth Observation System of Systems (GEOSS), as agreed by the U.S. and 60 other countries at the third Earth Observation Summit held in February of 2005.

Mandl, Daniel↗

NASA NTRS1988

Heterogeneity in the growth hormone pituitary gland system of rats and humans: Implications to microgravity based research

The cell separation techniques of velocity sedimentation, flow cytometry and continuous flow electrophoresis were used to obtain enriched populations of growth hormone (GH) cells. The goal was to isolate a GH cell subpopulation which releases GH molecules which are very high in biological activity, it was important to use a method which was effective in processing large numbers of cells over a short time span. The techniques based on sedimentation are limited by cell density overlaps and streaming. While flow cytometry is useful in the analytical mode for objectively establishing cell purity, the numbers of cells which can be processed in the sort mode are so small as to make this approach ineffective in terms of the long term goals. It was shown that continuous flow electrophoresis systems (CFES) can separate GH cells from other cell types on the basis of differences in surface charge. The bioreactive producers appear to be more electrophoretically mobile than the low producers. Current ground based CFES efforts are hampered by cell clumping in low ionic strength buffers and poor cell recoveries from the CFES device.

Hymer, W. C.↗

DOE OSTI2025

Spatially resolved charge-transfer kinetics at the quantum dot–microbe interface using fluorescence lifetime imaging microscopy

Integrating the optoelectronic properties of quantum dots (QDs) with biological enzymatic systems to form microbe-semiconductor biohybrids offers promising prospects for both solar-to-chemical conversion and light-modulated biochemical processes. Developing these nano–bio hybrid systems necessitates a deep understanding of charge-transfer dynamics at the nano–bio interface. Photoexcited carrier transfer from QDs to microbes is driven by complex interactions, with emerging insights into the relevant thermodynamic and kinetic factors. The heterogeneities of both microbes and QD ensembles pose significant challenges in mechanistic understanding, which is critical for designing advanced nano–bio hybrids. We used fluorescence lifetime imaging microscopy to analyze charge transfer between a CdSe QD film andShewanella oneidensismicrobes. We correlated the spatiotemporal fluorescence data with an analytical model. Our analysis revealed two distinct distributions of QD de-excitation pathways. The characteristics of these distributions: 1) a faster transfer rate ( k ¯ E T 1 = 1.5 10 9 s - 1 ), with a lower acceptor number ( N ¯ a 1 = 0.03 ) and 2) a slower transfer rate ( k ¯ E T 2 = 4.1 10 8 s - 1 ) with a higher acceptor number ( N ¯ a 2 = 0.18 ). We assign these distributions to the indirect and direct electron transfer mechanisms, respectively. Our findings demonstrate how spectroscopic imaging can uncover fundamental electron transfer mechanisms at complex interfaces, offering valuable design principles for future nano–bio hybrids.

Science & Technology - Other Topics↗

NASA NTRS1989

Local-global analysis of crack growth in continuously reinfoced ceramic matrix composites

This paper describes the development of a mathematical model for predicting the strength and micromechanical failure characteristics of continuously reinforced ceramic matrix composites. The local-global analysis models the vicinity of a propagating crack tip as a local heterogeneous region (LHR) consisting of spring-like representation of the matrix, fibers and interfaces. Parametric studies are conducted to investigate the effects of LHR size, component properties, and interface conditions on the strength and sequence of the failure processes in the unidirectional composite system.

Ballarini, Roberto↗

NASA NTRS1995

DREAMS and IMAGE: A Model and Computer Implementation for Concurrent, Life-Cycle Design of Complex Systems

Computing architectures are being assembled that extend concurrent engineering practices by providing more efficient execution and collaboration on distributed, heterogeneous computing networks. Built on the successes of initial architectures, requirements for a next-generation design computing infrastructure can be developed. These requirements concentrate on those needed by a designer in decision-making processes from product conception to recycling and can be categorized in two areas: design process and design information management. A designer both designs and executes design processes throughout design time to achieve better product and process capabilities while expanding fewer resources. In order to accomplish this, information, or more appropriately design knowledge, needs to be adequately managed during product and process decomposition as well as recomposition. A foundation has been laid that captures these requirements in a design architecture called DREAMS (Developing Robust Engineering Analysis Models and Specifications). In addition, a computing infrastructure, called IMAGE (Intelligent Multidisciplinary Aircraft Generation Environment), is being developed that satisfies design requirements defined in DREAMS and incorporates enabling computational technologies.

Hale, Mark A.↗

NASA NTRSDate not supplied

Stewardship Best Practices for Improved Discovery and Reuse of Heterogeneous and Cross-Disciplinary Earth System Data

Some of the Earth system data products such as those from NASA airborne and field investigations (a.k.a. campaigns), are highly heterogeneous and cross-disciplinary, making the data extremely challenging to manage. For example, airborne and field campaign measurements tend to be sporadic over a period of time, with large gaps. Data products generated are of various processing levels and utilized for a wide range of inter- and cross-disciplinary research and applications. Data and derived products have been historically stored in a variety of domain-specific standard (and some non-standard) formats and in various locations such as NASA Distributed Active Archive Centers (DAACs), NASA airborne science facilities, field archives, or even individual scientists’ computer hard drives. As a result, airborne and field campaign data products have often been managed and represented differently, making it onerous for data users to find, access, and utilize campaign data. Some difficulties in discovering and accessing the campaign data originate from the incomplete data product and contextual metadata that may contain details relevant to the campaign (e.g. campaign acronym and instrument deployment locations), but tend to lack other significant information needed to understand conditions surrounding the data. Such details can be burdensome to locate after the conclusion of a campaign. Utilizing consistent terminology, essential for improved discovery and reuse, is also challenging due to the variety of involved disciplines. To help address the aforementioned challenges faced by many repositories and data managers handling airborne and field data, this presentation will describe stewardship practices developed by the Airborne Data Management Group (ADMG) within the Interagency Implementation and Advanced Concepts Team (IMPACT) under the NASA’s Earth Science Data systems (ESDS) Program.

best practices↗

DOE OSTI2025

Maps of growing season gross primary production and net ecosystem exchange for Council Road Mile Marker 71, Seward Peninsula, Alaska, [2017-2023]

This data archive is in support of the Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) publication "Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape", by Murphy et al. (2025a). Murphy et al. (2025a) evaluated whether incorporating observed Arctic vegetation heterogeneity into ELM, the land model of the Department of Energy’s Energy Exascale Earth System Model (E3SM), improved simulations of tundra carbon cycling. The associated model archive can be found at Murphy et al. (2025b). The study focused on the spatial patterns and net landscape-level growing season productivity and carbon uptake. As part of this evaluation, observationally derived maps of average growing season (June–August) net ecosystem exchange (NEE) and gross primary production (GPP) were developed for the same domain. These maps, which form the dataset described here, integrate eddy covariance flux tower, remote sensing, and vegetation community data to provide spatially explicit benchmarks for model evaluation. The maps provide spatially explicit estimates of average growing season NEE and GPP across 13 tundra vegetation communities within the study domain. By combining flux tower observations with Airborne Visible-Infrared Imaging Spectrometer-Next Generation (AVIRIS-NG) hyperspectral imagery and drone-based normalized difference vegetation index (NDVI), these maps capture the heterogeneity of carbon fluxes associated with different Arctic vegetation types. While they represent average seasonal conditions rather than interannual variability, the maps provide a unique dataset for evaluating model performance, comparing vegetation community contributions to landscape-scale carbon cycling, and supporting regional analyses of Arctic carbon dynamics. This data archive contains 5 m resolution maps of vegetation communities, vegetation community average growing season GPP, and vegetation community average growing season NEE (three *.tif files), a User’s Guide (*pdf file), and Table 1 of the User’s Guide displaying vegetation community coverage and average growing season NEE and GPP values (*.csv file).

Murphy, Bailey [ORNL] (ORCID:0000000203995221)↗

NASA NTRS1987

Problems related to the determination of land surface parameters and fluxes over heterogeneous media from satellite data

Problems encountered in the definition of relevant parameters which can describe heterogeneous media as a whole are discussed. A procedure to extend the definition of parameters from local to regional scales via inversion of appropriate models is tentatively proposed. The adequacy of these models for describing physical processes at the earth/atmosphere interface as observed with satellite systems is addressed.

Becker, F.↗

NASA NTRS1983

Multiphase combustion experimentation in microgravity

This paper examines the need for and implementation of microgravity combustion studies of two phase media. Experimental and analytical aspects of several heterogeneous kinetic systems are discussed. These include: flame propagation and extinction for quiescent clouds of uniformly premixed fuel particulates in an oxidizing atmosphere; autoignition of clouds of uniformly premixed fuel particulates in a quiescent oxidizing atmosphere; and the roles of catalytically significant surfaces in gaseous autoignition processes.

Berlad, A. L.↗

NASA NTRS2016

Using Docker Containers to Extend Reproducibility Architecture for the NASA Earth Exchange (NEX)

NASA Earth Exchange (NEX) is a data, supercomputing and knowledge collaboratory that houses NASA satellite, climate and ancillary data where a focused community can come together to address large-scale challenges in Earth sciences. As NEX has been growing into a petabyte-size platform for analysis, experiments and data production, it has been increasingly important to enable users to easily retrace their steps, identify what datasets were produced by which process chains, and give them ability to readily reproduce their results. This can be a tedious and difficult task even for a small project, but is almost impossible on large processing pipelines. We have developed an initial reproducibility and knowledge capture solution for the NEX, however, if users want to move the code to another system, whether it is their home institution cluster, laptop or the cloud, they have to find, build and install all the required dependencies that would run their code. This can be a very tedious and tricky process and is a big impediment to moving code to data and reproducibility outside the original system. The NEX team has tried to assist users who wanted to move their code into OpenNEX on Amazon cloud by creating custom virtual machines with all the software and dependencies installed, but this, while solving some of the issues, creates a new bottleneck that requires the NEX team to be involved with any new request, updates to virtual machines and general maintenance support. In this presentation, we will describe a solution that integrates NEX and Docker to bridge the gap in code-to-data migration. The core of the solution is saemi-automatic conversion of science codes, tools and services that are already tracked and described in the NEX provenance system, to Docker - an open-source Linux container software. Docker is available on most computer platforms, easy to install and capable of seamlessly creating and/or executing any application packaged in the appropriate format. We believe this is an important step towards seamless process deployment in heterogeneous environments that will enhance community access to NASA data and tools in a scalable way, promote software reuse, and improve reproducibility of scientific results.

earth exchange↗

DOE OSTI2025

Mapping structures and dynamics with frequency-correlated diffusion exchange

Understanding molecular motion in diffusion-driven complex environments is critical for designing sustainable materials and improving chemical processes. Here, we introduce a multidimensional nuclear magnetic resonance (NMR) method that captures how molecular populations exchange across different dynamic regimes. By extending the modulated gradient spin-echo technique to include frequency-frequency correlations, our approach reveals diffusion pathways that are otherwise obscured in heterogeneous systems. Implemented on a unilateral NMR magnet, the method eliminates gradient pulsing constraints and accesses dynamics in the kilohertz regime. We apply this technique to swelling and acid-catalyzed deconstruction of cross-linked and linear polymers to observe how structural heterogeneity evolves over time. By linking molecular motion to topology and chemical state, we extract physical metrics such as fractal surface dimensionality and reaction wavefront velocity, properties inaccessible with standard diffusion measurements. This work expands the capabilities of NMR for probing soft matter, with implications for polymer recycling and materials design.

Fricke, Sophia N. [University of California, Berke↗

NASA NTRS2004

Chondrites and the Protoplanetary Disk, Part 1

The papers discussed the following: The Formation Process of Adhering and Consorting Compound Chondrules Inferred Their Petrology and Major-Element Composition. The Prospect of High-Precision Pb Isotopic Dating of Meteorites. Evolution of UV-Irradiated Protoplanetary Disks. A Model for the Formation of E Chondrites. Oxygen Isotopic Diffusion and Exchange Experiments on Olivine and Chondrule Melts: Preliminary Results. Shock Heating: Origin of Shock Waves in the Protoplanetary Disk. Thermal Structures of Protoplanetary Disks. Meteoritical Astrophysics: A New Subdiscipline. Origin and Thermal History of FeNi-Metal in Primitive Chondrites. The Collisions of Chondrules Behind Shock Waves. Primary Signatures of the Nebular Dust Preserved in Accretionary Rims and Matrices of CV Chondrites. History of Thermally Processed Solids in the Protoplanetary Disk: Reconciling Theoretical Models and Meteoritical. Evidence Evaporation and Condensation During CAI and Chondrule Formation. Shock Heating: Effects on Chondritic Material. Rhounite-bearing Inclusions E201 and E202 from Efremovka: Constraints from Trace. Element Measurements Element Mapping in Anhydrous IDPs: Identification of the Host Phases of Major/Minor Elements as a Test of Nebula Condensation Models. Theoretical Studies of Disk Evolution Around Solar Mass Stars. Chemical Effects of High-Temperature Processing of Silicates. I-Xe and the Chronology of the Early Solar System. The Effects of X-Rays on the Gas and Dust in Young Stellar Objects. Origin of Short-lived Radionuclides in the Early Solar System. On Early Solar System Chronology: Implications of an Initially Heterogeneous Distribution of Short-lived Radionuclides. The Origin of Short-lived Radionuclides and Early Solar System Irradiation. Disequilibrium Melting and Oxygen Isotope Exchange of CAIs and Chondrules in the Solar Nebula. Mineralogy and Chemistry of Fine-grained Matrices, Rims, and Dark Inclusions in the CR Carbonaceous Chondrites Acfer/El Djouf 001 and the Ungrouped Carbonaceous Chondrites Acfer 094 and Adelaide. Oxygen Isotopes of Aluminum-rich Chondrules from Unequilibrated Enstatite Chondrites.

Source record↗

NASA NTRS2009

Accelerating Climate Simulations Through Hybrid Computing

Unconventional multi-core processors (e.g., IBM Cell B/E and NYIDIDA GPU) have emerged as accelerators in climate simulation. However, climate models typically run on parallel computers with conventional processors (e.g., Intel and AMD) using MPI. Connecting accelerators to this architecture efficiently and easily becomes a critical issue. When using MPI for connection, we identified two challenges: (1) identical MPI implementation is required in both systems, and; (2) existing MPI code must be modified to accommodate the accelerators. In response, we have extended and deployed IBM Dynamic Application Virtualization (DAV) in a hybrid computing prototype system (one blade with two Intel quad-core processors, two IBM QS22 Cell blades, connected with Infiniband), allowing for seamlessly offloading compute-intensive functions to remote, heterogeneous accelerators in a scalable, load-balanced manner. Currently, a climate solar radiation model running with multiple MPI processes has been offloaded to multiple Cell blades with approx.10% network overhead.

Zhou, Shujia↗