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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 379 records · Page 21

Spectral mapping of soil organic matter

Multispectral remote sensing data were examined for use in the mapping of soil organic matter content. Computer-implemented pattern recognition techniques were used to analyze data collected in May 1969 and May 1970 by an airborne multispectral scanner over a 40-km flightline. Two fields within the flightline were selected for intensive study. Approximately 400 surface soil samples from these fields were obtained for organic matter analysis. The analytical data were used as training sets for computer-implemented analysis of the spectral data. It was found that within the geographical limitations included in this study, multispectral data and automatic data processing techniques could be used very effectively to delineate and map surface soils areas containing different levels of soil organic matter.

Kristof, S. J.↗

Combining Acceleration and Displacement Dependent Modal Frequency Responses Using an MSC/NASTRAN DMAP Alter

Solving for dynamic responses of free-free launch vehicle/spacecraft systems acted upon by buffeting winds is commonly performed throughout the aerospace industry. Due to the unpredictable nature of this wind loading event, these problems are typically solved using frequency response random analysis techniques. To generate dynamic responses for spacecraft with statically-indeterminate interfaces, spacecraft contractors prefer to develop models which have response transformation matrices developed for mode acceleration data recovery. This method transforms spacecraft boundary accelerations and displacements into internal responses. Unfortunately, standard MSC/NASTRAN modal frequency response solution sequences cannot be used to combine acceleration- and displacement-dependent responses required for spacecraft mode acceleration data recovery. External user-written computer codes can be used with MSC/NASTRAN output to perform such combinations, but these methods can be labor and computer resource intensive. Taking advantage of the analytical and computer resource efficiencies inherent within MS C/NASTRAN, a DMAP Alter has been developed to combine acceleration- and displacement-dependent modal frequency responses for performing spacecraft mode acceleration data recovery. The Alter has been used successfully to efficiently solve a common aerospace buffeting wind analysis.

Barnett, Alan R.↗

Compression Techniques for Improved Algorithm Computational Performance

Analysis of thermal data requires the processing of large amounts of temporal image data. The processing of the data for quantitative information can be time intensive especially out in the field where large areas are inspected resulting in numerous data sets. By applying a temporal compression technique, improved algorithm performance can be obtained. In this study, analysis techniques are applied to compressed and non-compressed thermal data. A comparison is made based on computational speed and defect signal to noise.

Zalameda, Joseph N.↗

Using NVMe Gen3 PCIe SSD Cards in High-density Servers for High-performance Big Data Transfer Over Multiple Network Channels

This Technical Note describes how the Zettar team came up with a data transfer cluster design that convincingly proved the feasibility of using high-density servers for high-performance Big Data transfers. It then outlines the tests, operations, and observations that address a potential over-heating concern regarding the use of Non-Volatile Memory Host Controller Interface Specification (NVMHCI aka NVM Express or NVMe) Gen 3 PCIe SSD cards in high-density servers. Finally, it points out the possibility of developing a new generation of high-performance Science DMZ data transfer system for the data-intensive research community and commercial enterprises.

97 MATHEMATICS AND COMPUTING↗

Accelerated Adaptive MGS Phase Retrieval

The Modified Gerchberg-Saxton (MGS) algorithm is an image-based wavefront-sensing method that can turn any science instrument focal plane into a wavefront sensor. MGS characterizes optical systems by estimating the wavefront errors in the exit pupil using only intensity images of a star or other point source of light. This innovative implementation of MGS significantly accelerates the MGS phase retrieval algorithm by using stream-processing hardware on conventional graphics cards. Stream processing is a relatively new, yet powerful, paradigm to allow parallel processing of certain applications that apply single instructions to multiple data (SIMD). These stream processors are designed specifically to support large-scale parallel computing on a single graphics chip. Computationally intensive algorithms, such as the Fast Fourier Transform (FFT), are particularly well suited for this computing environment. This high-speed version of MGS exploits commercially available hardware to accomplish the same objective in a fraction of the original time. The exploit involves performing matrix calculations in nVidia graphic cards. The graphical processor unit (GPU) is hardware that is specialized for computationally intensive, highly parallel computation. From the software perspective, a parallel programming model is used, called CUDA, to transparently scale multicore parallelism in hardware. This technology gives computationally intensive applications access to the processing power of the nVidia GPUs through a C/C++ programming interface. The AAMGS (Accelerated Adaptive MGS) software takes advantage of these advanced technologies, to accelerate the optical phase error characterization. With a single PC that contains four nVidia GTX-280 graphic cards, the new implementation can process four images simultaneously to produce a JWST (James Webb Space Telescope) wavefront measurement 60 times faster than the previous code.

Lam, Raymond K.↗

High Energy Physics Network Requirements Review: Two-Year Update

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. ESnet interconnects DOE national laboratories, user facilities, and major experiments so that scientists can use remote instruments and computing resources as well as share data with collaborators, transfer large datasets, and access distributed data repositories. ESnet is specifically built to provide a range of network services tailored to meet the unique requirements of the DOE’s data-intensive science. In July 2023, the Energy Sciences Network (ESnet) and the High Energy Physics program (HEP) of the DOE SC organized an interim ESnet requirements review of HEP-supported activities, to follow up on the work started during the 2020 HEP Network Requirements Review. Preparation for these events included checking back with the key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare updates to their previously submitted case study documents, so that ESnet could update the understanding of any changes to the current, near-term, and long-term status, expectations, and processes that will support the science activities of the program.

97 MATHEMATICS AND COMPUTING↗

HOSS!

The Hall-D Online Skim System (HOSS) was developed to simultaneously solve two issues for the high intensity GlueX experiment. One was to parallelize the writing of raw data files to disk in order to improve bandwidth. The other was to distribute the raw data across multiple compute nodes in order to produce calibration skims of the data online. The highly configurable system employs RDMA, RAM disks, and zeroMQ driven by Python to simultaneously store and process the full high intensity GlueX data stream.

Lawrence, David↗

The moisture budget in relation to convection

An evaluation of the moisture budget in the environment of convective storms is presented by using the unique 3- to 6-h rawinsonde data. Net horizontal and vertical boundary fluxes accounted for most of the large amounts of moisture which were concentrated into convective regions associated with two squall lines that moved through the area during the experiment. The largest values of moisture accumulations were located slightly downwind of the most intense convective activity. Relationships between computed moisture quantities of the moisture budget and radar-observed convection improved when lagging the radar data by 3 h. The residual of moisture which represents all sources and sinks of moisture in the budget equation was largely accounted for by measurements of precipitation.

Scott, R. W.↗

High-throughput terahertz imaging: progress and challenges

Abstract Many exciting terahertz imaging applications, such as non-destructive evaluation, biomedical diagnosis, and security screening, have been historically limited in practical usage due to the raster-scanning requirement of imaging systems, which impose very low imaging speeds. However, recent advancements in terahertz imaging systems have greatly increased the imaging throughput and brought the promising potential of terahertz radiation from research laboratories closer to real-world applications. Here, we review the development of terahertz imaging technologies from both hardware and computational imaging perspectives. We introduce and compare different types of hardware enabling frequency-domain and time-domain imaging using various thermal, photon, and field image sensor arrays. We discuss how different imaging hardware and computational imaging algorithms provide opportunities for capturing time-of-flight, spectroscopic, phase, and intensity image data at high throughputs. Furthermore, the new prospects and challenges for the development of future high-throughput terahertz imaging systems are briefly introduced.

36 MATERIALS SCIENCE↗

Optical neural engine for solving scientific partial differential equations

Abstract Solving partial differential equations (PDEs) is the cornerstone of scientific research and development. Data-driven machine learning (ML) approaches are emerging to accelerate time-consuming and computation-intensive numerical simulations of PDEs. Although optical systems offer high-throughput and energy-efficient ML hardware, their demonstration for solving PDEs is limited. Here, we present an optical neural engine (ONE) architecture combining diffractive optical neural networks for Fourier space processing and optical crossbar structures for real space processing to solve time-dependent and time-independent PDEs in diverse disciplines, including Darcy flow equation, the magnetostatic Poisson’s equation in demagnetization, the Navier-Stokes equation in incompressible fluid, Maxwell’s equations in nanophotonic metasurfaces, and coupled PDEs in a multiphysics system. We numerically and experimentally demonstrate the capability of the ONE architecture, which not only leverages the advantages of high-performance dual-space processing for outperforming traditional PDE solvers and being comparable with state-of-the-art ML models but also can be implemented using optical computing hardware with unique features of low-energy and highly parallel constant-time processing irrespective of model scales and real-time reconfigurability for tackling multiple tasks with the same architecture. The demonstrated architecture offers a versatile and powerful platform for large-scale scientific and engineering computations.

Tang, Yingheng (ORCID:0009000153622546)↗

High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications

Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals with a-posteriori corrections to more computationally intensive hybrid functional approaches. For applications of DFT-based high-throughput computation for data-driven materials discovery, point defect properties are of interest, yet are currently excluded from available materials databases. This work presents a benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We consider three different a-posteriori correction sets implemented in an automated workflow, and evaluate the qualitative and quantitative differences among four different categories of defect information: thermodynamic transition levels, formation energies, Fermi levels, and dopability limits. We highlight qualitative information that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy.

36 MATERIALS SCIENCE↗

Computational approaches to model X-ray photon correlation spectroscopy from molecular dynamics

X-ray photon correlation spectroscopy (XPCS) allows for the resolution of dynamic processes within a material across a wide range of length and time scales. X-ray speckle visibility spectroscopy (XSVS) is a related method that uses a single diffraction pattern to probe ultrafast dynamics. Interpretation of the XPCS and XSVS data in terms of underlying physical processes is necessary to establish the connection between the macroscopic responses and the microstructural dynamics. To aid the interpretation of the XPCS and XSVS data, we present a computational framework to model these experiments by computing the X-ray scattering intensity directly from the atomic positions obtained from molecular dynamics simulations. We compare the efficiency and accuracy of two alternative computational methods: the direct method computing the intensity at each diffraction vector separately, and a method based on fast Fourier transform that computes the intensities at all diffraction vectors at once. Furthermore, the computed X-ray speckle patterns capture the density fluctuations over a range of length and time scales and are shown to reproduce the known properties and relations of experimental XPCS and XSVS for liquids.

36 MATERIALS SCIENCE↗

INTEGRATION OF PANDA WORKLOAD MANAGEMENT SYSTEM WITH SUPERCOMPUTERS

Abstract The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the funda- mental nature of matter and the basic forces that shape our universe, and were recently credited for the dis- covery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 140 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data cen- ters are physically scattered all over the world. While PanDA currently uses more than 250000 cores with a peak performance of 0.3+ petaFLOPS, next LHC data taking runs will require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Com- puting Facility (OLCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava, and others). The current approach utilizes a modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single- threaded workloads in parallel on Titan s multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms. We will present our current accom- plishments in running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facility s infrastructure for High Energy and Nuclear Physics, as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

De, K↗

Ultrasonic Transducer Analyzer

Ultrasonic transducer-beam-intensity distributions are determined by analyzing echoes from a spherical ball. Computers control equipment and process data. Important beam characteristics, such as location of best beam focus and beam diameter at focus, can be determined quickly from extensive set of plots generated by apparatus.

Grounds, M. K.↗

Influence of bulk turbulence and entrance boundary layer thickness on the curved duct flow field

The objective of this investigation was the experimental evaluation of bulk turbulence and boundary thickness influence on the secondary flow development in a square, 90 deg turning duct. A three dimensional laser velocimetry system was utilized to measure the mean and fluctuating components of velocity in the large curved duct facility. The three dimensional development of the viscous shear layers in the curved duct has a strong influence on the complete flow field. Since ducted three dimensional flows are found in many engineering applications, including gas turbine engines, and contain high turbulence levels and high wall heat transfer rates, they present a difficult challenge to computational fluid mechanics codes. Turbulence modeling remains one of constraints to CFD advance due to inadequate physical understanding and experimental definition of turbulent shear flows. The results of this investigation expand the curved duct data base to higher turbulence levels and thicker entrance boundary layers. The experimental results provide a challenging benchmark data base for computational fluid dynamics code development and validation. The variation of inlet bulk turbulence intensity provides additional information to aid in turbulence model evaluation.

Crawford, Roger A.↗

Influence of bulk turbulence and entrance boundary layer thickness on the curved duct flow field

The objective of this investigation was the experimental evaluation of bulk turbulence and boundary thickness influence on the secondary flow development in a square, 90 deg turning duct. A three dimensional laser velocimetry system was utilized to measure the mean and fluctuating components of velocity in the large curved duct facility. The three dimensional development of the viscous shear layers in the curved duct has a strong influence on the complete flow field. Since ducted three dimensional flows are found in many engineering applications, including gas turbine engines, and contain high turbulence levels and high wall heat transfer rates, they present a difficult challenge to computational fluid mechanics codes. Turbulence modeling remains one of constraints to CFD advance due to inadequate physical understanding and experimental definition of turbulent shear flows. The results of this investigation expand the curved duct data base to higher turbulence levels and thicker entrance boundary layers. The experimental results provide a challenging benchmark data base for computational fluid dynamics code development and validation. The variation of inlet bulk turbulence intensity provides additional information to aid in turbulence model evaluation.

Shohadaee, Ahmad A.↗