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At least 559 records · Page 31

An Overview of the Earth Observing System Moderate Resolution Imaging Spectroradiometer (MODIS) Data Products and Availability for Environmental Applications and Global Change Studies

The Moderate Resolution Imaging Spectroradiometer (MODIS) on the Earth Observing System (EOS) Terra Mission began to produce data in February 2000. The Terra MODIS is in a sun-synchronous orbit going north to south in the daylight portion of the orbit crossing the equator at about 1030 hours local time. The spacecraft, instrument, and data systems are performing well and are producing a wide variety of data products useful for scientific and applications studies in relatively consistent fashion extending from November 2000 to the present. Within the approximately 40 MODIS data products, several are new and represent powerful and exciting capabilities such the ability to provide observations over the globe of fire occurrences, microphysical properties of clouds and sun-stimulated fluorescence from phytoplankton in the surface waters of the ocean. The remainder of the MODIS products exceeds or, at a minimum, matches the capabilities of products from heritage sensors such as, for example, the Advanced Very High Resolution Radiometer (AVHRR). Efforts are underway to provide data sets for the greater Earth science community and to improve access to these products at the various Distributed Active Archive Centers (DAACs) or through Direct Broadcast (DB) stations. The EOS Aqua mission was launched successfully May 4,2002 with another MODIS on it. The Aqua spacecraft operates in a sun-synchronous orbit going south to north in the daylight portion of the orbit crossing the equator at approximately 1330 hours local time. Subsequently the Aqua MODIS observations will substantially add to the capabilities of the Terra MODIS for environmental applications and global change studies.

Salomonson, V. V.↗

High-resolution fully-polarimetric synthetic aperture radar dataset

Fully-polarimetric synthetic aperture radar (PolSAR) data contain a rich body of elementary scattering physics information that is critically valuable for a broad range of applications and scientific purposes. However, there is a lack of available high-resolution (< 0.3048-m) data available for PolSAR phenomenology research. This article introduces a high-resolution PolSAR data set collected and provided by Sandia National Laboratories (SNL). The data sets were collected to support studying high-resolution scattering physics from different types of clutter and applications such as polarimetric-based terrain classification.

West, Roger Derek↗

Carbon nanotube scanning probe for imaging in aqueous environment

Carbon nanotubes (CNTs) used as a probe for scanning probe microscopy has become one of the many potential usages of CNTs that is finding real applications in scientific research and industrial communities. It has been proposed that the unique mechanical buckling properties of the CNT would lessen the imaging force exerted on the sample and, thus, make CNT scanning probes ideal for imaging soft materials, including biological samples in liquid environments. The hydrophobic nature of the CNT graphitic sidewall is clearly chemically incompatible with the aqueous solution requirements in some biological imaging applications. In this paper, we present electron micrograph results demonstrating the instability of CNT scanning probes when submerged in aqueous solution. Moreover, we also introduce a novel approach to resolve this chemical incompatibility problem. By coating the CNT probe with ethylenediamine, thus rendering the CNT probe less hydrophobic, we demonstrate the liquid imaging capability of treated CNT probes. Experimental data for imaging in aqueous solutions are presented, which include an ultrathin Ir film and DNA molecules on a mica surface.

Microscopy, Atomic Force/methods↗

Bringing OpenCL to Commodity RISC-V CPUs

The importance of open-source hardware has been increasing in recent years with the introduction of the RISC-V Open ISA. This has also accelerated the push for support of the open-source software stack from compiler tools to full-blown operating systems. Parallel computing with today’s Application Programming Interfaces such as OpenCL has proven to be effective at leveraging the parallelism in commodity multi-core processors and programmable parallel accelerators. However, to the best of our knowledge, there is currently no publicly available implementation of OpenCL targeting commodity RISC-V processors that is accessible to the open-source community. Besides opening RISC-V to the existing rich variety of scientific parallel applications, OpenCL also provides access to a unique genre of benchmarks useful in computer architecture research. In this work, we extended an Open-source implementation of OpenCL to target RISC-V CPUs. Our work not only cover commodity multi-core RISC-V processors, but also plethora of low- profile embedded RISC-V CPUs that often do not support atomic instructions or multi-threading.

Tine, Blaise↗

Scientific investigations on the Skylab satellite; Conference, Huntsville, Ala., October 30-November 1, 1974, Technical Papers

A Skylab overview is presented and the solar observation programs are examined, taking into account the operational aspects of Skylab, the XUV sun as observed by ATM S082, a classification of flares and flarelike events observed during the Skylab mission, a preliminary analysis of extreme ultraviolet and X-ray observations, and initial results from the EUV spectroheliometer on ATM. Attention is given to ultraviolet stellar spectra obtained with Skylab experiment S019, multicolor photometry of low-light level phenomena from Skylab, Skylab observations of comet Kohoutek, relativistic iron in space and its nuclear progeny, Skylab altimeter applications and scientific results, neutron and proton activation measurements from Skylab, Skylab D024 thermal control coatings and polymeric films experiment, the stability of liquid dispersions in low gravity, observations of the liquid/solid interface in low-gravity melting, and student experiments on Skylab. Individual items are announced in this issue and in issue 02, 1975.

Kent, M. I.↗

Hermes-3: Multi-component plasma simulations with BOUT++

A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. Hermes-3 is built on plasma simulation framework BOUT++, consolidating earlier SD1D and Hermes models into a single code that can be configured at run-time to solve plasma models in 1D, 2D or 3D, either for transport (steady-state) or turbulent (time-evolving) problems, with an arbitrary number of ion and neutral species. Here, we describe the improved numerical algorithms and software design that have been implemented in Hermes-3. To demonstrate the capabilities of this tool, applications relevant to the boundary of tokamak plasmas are presented: 1D simulations of diveror plasmas evolving equations for all charge states of neon and deuterium; 2D transport simulations of tokamak equilibria in single-null X-point geometry with plasma ion and neutral atom species; and simulations of the time-dependent propagation of plasma filaments (blobs). Hermes-3 is publicly available on Github under the GPL-3 open source license. The repository includes documentation and a suite of unit, integrated and convergence tests.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Openpronghorn

OpenPronghorn is a simulation tool specifically tailored for modeling thermal-hydraulic phenomena in advanced nuclear reactors. It is built on the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source platform that facilitates the development of high-performance scientific computing applications. OpenPronghorn solves the Navier-Stokes equations, which describe the conservation of mass, momentum, and energy in fluid flows, using the finite volume numerical method. The code supports a wide range of fluid flow conditions that are applicable to nuclear reactors, including incompressible and weakly compressible flows, as well as single-phase and multiphase flows. It is capable of modeling diverse flow regimes, including laminar and turbulent flows, using various turbulence models such as the standard k-epsilon models, the v2f model, and the mixing length model. For multiphase flows, OpenPronghorn employs a mixture a Eulerian modeling approach with mixture, drift-flux, and full Eulerian models, and includes open-sourced interfacial transfer correlations for drag, exchange, and heat transfer coming from the scientific literature. OpenPronghorn's modular design allows it to handle multiscale simulations, ranging from detailed Reynolds-Averaged Navier Stokes (RANS) simulations to coarse-mesh and lumped parameter models. This flexibility enables users to perform high-fidelity simulations of specific reactor components as well as system-level analyses of entire reactor circuits. The code can be coupled with other MOOSE-based tools using the MultiApp system, allowing for the transfer of coupling quantities such as mass flow rates, heat fluxes, and boundary conditions between different simulation scales. One of the main features of OpenPronghorn is the it includes built-in validation cases from the open-source scientific literature and supports the implementation of user-defined models and correlations through MOOSE's FunctorMaterial system. OpenPronghorn is designed to be computationally efficient, leveraging the SIMPLE projection method for large-scale problems, and can be run on high-performance computing systems to handle the extensive computational demands of detailed reactor simulations. Overall, OpenPronghorn is a versatile and robust tool that provides critical insights into the thermal-hydraulic behavior of advanced nuclear reactors, supporting the design, safety, and optimization of next-generation nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

The NASA Earth Observing System (EOS) Terra and Aqua Mission Moderate Resolution Imaging Spectroradiometer (MODIS: Science and Applications

The Moderate Resolution Imaging Spectroradiometer (MODIS) on the Earth Observing System (EOS) Terra Mission began to produce data in February 2000. The EOS Aqua mission was launched successfully May 4,2002 with another MODIS on it and "first light" observations occurred on June 24,2002. The Terra MODIS is in a sun-synchronous orbit going north to south in the daylight portion of the orbit crossing the equator at about 1030 hours local time. The Aqua spacecraft operates in a sun-synchronous orbit going south to north in the daylight portion of the orbit crossing the equator at approximately 1330 hours local time. The spacecraft, instrument, and data systems for both MODIS instruments are performing well and are producing a wide variety of data products useful for scientific and applications studies in relatively consistent fashion extending from November 2000 to the present. Within the approximately 40 MODIS data products, several are new and represent powerful and exciting capabilities such the ability to provide observations over the globe of fire occurrences, microphysical properties of clouds and sun-stimulated fluorescence from phytoplankton in the surface waters of the ocean. The remainder of the MODIS products exceeds or, at a minimum, matches the capabilities of products from heritage sensors such as, for example, the Advanced Very High Resolution Radiometer (AVHRR). Efforts are underway to provide data sets for the greater Earth science community and to improve access to these products at the various Distributed Active Archive Centers (DAAC's) or through Direct Broadcast (DB) stations.

Salomnson, Vincent V.↗

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗

Disentangling error structures of precipitation datasets using decision trees

Characterizing error structures in precipitation products not only facilitates their proper applications for scientific and practical purposes but also helps improve their retrieval algorithms and processing methods. Despite the fact that multiple precipitation products have been assessed in the literature, factors that affect their error structures remain inadequately addressed. By interpreting 60 binary decision trees, this study disentangles the error characteristics of precipitation products in terms of their spatiotemporal patterns and geographical factors. Three independent precipitation products - two satellite-based and one reanalysis datasets: the Integrated Multi-satellitE Retrievals for GPM (Global Precipitation Measurement) late run (IMERG-L), Soil Moisture to Rain-Advanced SCATterometer (SM2RAIN-ASCAT), and the Modern-Era Retrospective analysis for Research and Applications, Version 2 uncorrected precipitation output (MERRA2-UC), are evaluated across the contiguous United States from 2010 to 2019. Here, the ground-based Stage IV precipitation dataset is used as the ground truth. Results indicate that the MERRA2-UC outperforms the IMERG-L and SM2RAIN-ASCAT with higher accuracy and more stable interannual patterns for the analysis period. Decision trees cross-assess three spatiotemporal factors and find that the underestimation of MERRA2-UC occurs in the east of the Rocky Mountains, and SM2RAIN-ASCAT underestimates precipitation over high latitudes, especially in winter. Additionally, the decision tree method ascribes system errors to nine different geographical characteristics, of which the distance to the coast, soil type, and DEM are the three dominant features. On the other hand, the land cover type, topography position index, and aspect are three relatively weak factors.

54 ENVIRONMENTAL SCIENCES↗

SDMS: A scientific data management system

SDMS is a data base management system developed specifically to support scientific programming applications. It consists of a data definition program to define the forms of data bases, and FORTRAN-compatible subroutine calls to create and access data within them. Each SDMS data base contains one or more data sets. A data set has the form of a relation. Each column of a data set is defined to be either a key or data element. Key elements must be scalar. Data elements may also be vectors or matrices. The data elements in each row of the relation form an element set. SDMS permits direct storage and retrieval of an element set by specifying the corresponding key element values. To support the scientific environment, SDMS allows the dynamic creation of data bases via subroutine calls. It also allows intermediate or scratch data to be stored in temporary data bases which vanish at job end.

Massena, W. A.↗

Consistent Space Runtime (CSPACER) v1.0

This software provides a runtime for communication-bound applications, especially with irregular communication patterns. The target programming abstraction for the runtime is the space consistency model, which defines consistency guarantees at the granularity of memory spaces. This model has relaxed consistency semantics that enables a wide range of runtime optimizations. The runtime leverages threading to accelerate communication primitives, especially collective operations. It also allows efficient pipelining of communication operations and enable constructing a consistent state of multiple unordered communication activities targeting a memory space. The runtime uses a reduced API design that decomposes complex communication primitives in traditional general-purpose runtime into a sequence of simpler steps. To improve the productivity of using this runtime, we provide communication patterns commonly used for regular scientific computing applications and irregular data analytics. These communication patterns offer skeletons for the integration with application computation to allow efficient overlap.

Ibrahim, Khaled↗

Constrained GAN-Generated X-Ray CT Data For Self-Supervised And Foundation-Model Segmentation Of Concrete Microstructures

Three-dimensional characterization of materials using X-ray computed tomography (XCT) is challenging due to the complexity of internal structures, noise, and variations in resolution. Traditional computer vision models often struggle to accurately segment these images, particularly in domain-specific applications like materials science. While supervised deep learning approaches have been developed to address the limitations of conventional algorithms, they typically require large amounts of labeled training data and often fail to generalize across different datasets. Self-supervised, few-and zero-shot learning methods have gained prominence in natural image processing and segmentation tasks, but their application to scientific imaging remains limited due to the unique structural complexity, noise, and textural artifacts present in materials science data. In this work, we investigate how domain adaptation, leveraging physics-based and GAN-generated synthetic data, impacts segmentation performance. We introduce a modified Contrastive Unpaired Translation (CUT) model designed to generate realistic labeled data, which can be used for training, pre-training, and fine-tuning segmentation models for real XCT microstructure data. We evaluate the performance of two segmentation approaches: a self-supervised network (SSL-ALPNet) and a foundation model (Segment Anything Model), assessing their improvements when pre-trained and/or fine-tuned on the synthesized data. Our results demonstrate that leveraging synthetic data significantly enhances segmentation performance, particularly in challenging materials science applications.

Ziabari, Amir [ORNL] (ORCID:000000034776457X)↗

I/O Performance Characterization of Lustre and NASA Applications on Pleiades

In this paper we study the performance of the Lustre file system using five scientific and engineering applications representative of NASA workload on large-scale supercomputing systems such as NASA s Pleiades. In order to facilitate the collection of Lustre performance metrics, we have developed a software tool that exports a wide variety of client and server-side metrics using SGI's Performance Co-Pilot (PCP), and generates a human readable report on key metrics at the end of a batch job. These performance metrics are (a) amount of data read and written, (b) number of files opened and closed, and (c) remote procedure call (RPC) size distribution (4 KB to 1024 KB, in powers of 2) for I/O operations. RPC size distribution measures the efficiency of the Lustre client and can pinpoint problems such as small write sizes, disk fragmentation, etc. These extracted statistics are useful in determining the I/O pattern of the application and can assist in identifying possible improvements for users applications. Information on the number of file operations enables a scientist to optimize the I/O performance of their applications. Amount of I/O data helps users choose the optimal stripe size and stripe count to enhance I/O performance. In this paper, we demonstrate the usefulness of this tool on Pleiades for five production quality NASA scientific and engineering applications. We compare the latency of read and write operations under Lustre to that with NFS by tracing system calls and signals. We also investigate the read and write policies and study the effect of page cache size on I/O operations. We examine the performance impact of Lustre stripe size and stripe count along with performance evaluation of file per process and single shared file accessed by all the processes for NASA workload using parameterized IOR benchmark.

Saini, Subhash↗

An exploration of online-simulation-driven portfolio scheduling in Workflow Management Systems

Workflow Management Systems used to automate the execution of scientific workflow applications on parallel and distributed computing platforms must make scheduling decisions at runtime. A large number of workflow scheduling algorithms have been proposed in the literature, but often these algorithms are evaluated based on simplifying assumptions that may not hold in practice. Furthermore, published algorithm evaluation and/or comparison results are necessarily only for a subset of all possible scenarios, and thus may not include scenarios relevant to particular use-cases. Consequently, it is difficult for Workflow Management Systems (WMSs) developers to decide which scheduling algorithm should be implemented. To obviate this difficulty, one possible approach is to implement a portfolio of scheduling algorithms and select the most effective algorithm at runtime. One method for performing this selection is to run an online simulation for each algorithm in the portfolio. The algorithm that leads to the best performance, in simulation, is selected for future use. The above simulation-driven portfolio scheduling (SDPS) approach has been proposed in a few parallel and distributed computing contexts. The main objective of this work is to evaluate the feasibility and potential merit of SDPS if implemented in WMSs. Here we perform this evaluation using simulated WMS executions, where the simulations are instantiated from real-world platform and workflow configurations. Our main finding is that SDPS is on par with or outperforms an approach in which a single algorithm is used, where this algorithm is the one that performs best on average across all our experimental scenarios. Furthermore, we find that SDPS remains an attractive proposition even in the presence of high levels of simulation error and for simulators with relatively low levels of sophistication. In many of our experimental scenarios we find that mitigating simulation error at runtime can further improve performance. Finally, we show that simulation overhead can be made sufficiently low for SDPS to be feasible in practice.

97 MATHEMATICS AND COMPUTING↗

A GPT‐4 Reticular Chemist for Guiding MOF Discovery**

Abstract We present a new framework integrating the AI model GPT‐4 into the iterative process of reticular chemistry experimentation, leveraging a cooperative workflow of interaction between AI and a human researcher. This GPT‐4 Reticular Chemist is an integrated system composed of three phases. Each of these utilizes GPT‐4 in various capacities, wherein GPT‐4 provides detailed instructions for chemical experimentation and the human provides feedback on the experimental outcomes, including both success and failures, for the in‐context learning of AI in the next iteration. This iterative human‐AI interaction enabled GPT‐4 to learn from the outcomes, much like an experienced chemist, by a prompt‐learning strategy. Importantly, the system is based on natural language for both development and operation, eliminating the need for coding skills, and thus, make it accessible to all chemists. Our collaboration with GPT‐4 Reticular Chemist guided the discovery of an isoreticular series of MOFs, with each synthesis fine‐tuned through iterative feedback and expert suggestions. This workflow presents a potential for broader applications in scientific research by harnessing the capability of large language models like GPT‐4 to enhance the feasibility and efficiency of research activities.

Chemistry↗

Tausch: A halo exchange library for large heterogeneous computing systems using MPI, OpenCL, and CUDA

Exchanging halo data is a common task in modern scientific computing applications and efficient handling of this operation is critical for the performance of the overall simulation. Tausch is a novel header-only library that provides a simple API for efficiently handling these types of data movements. Tausch supports both simple CPU-only systems, but also more complex heterogeneous systems with both CPUs and GPUs. It currently supports both OpenCL and CUDA for communicating with GPGPU devices, and allows for communication between GPGPUs and CPUs. The API allows for drop-in replacement in existing codes and can be used for the communication layer in new codes. This paper provides an overview of the approach taken in Tausch, and a performance analysis that demonstrates expected and achieved performance. Here, we highlight the ease of use and performance with three applications: First Tausch is compared to the halo exchange framework from two Mantevo applications, HPCCG and miniFE, and then it is used to replace a legacy halo exchange library in the flexible multigrid solver framework Cedar.

97 MATHEMATICS AND COMPUTING↗