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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A massively parallel method of characteristic neutral particle transport code for GPUs

Over the past 20 years, parallel computing has enabled computers to grow ever larger and more powerful while scientific applications have advanced in sophistication and resolution. This trend is being challenged, however, as the power consumption for conventional parallel computing architectures has risen to unsustainable levels and memory limitations have come to dominate compute performance. Heterogeneous computing platforms, such as Graphics Processing Units (GPUs), are an increasingly popular paradigm for solving these issues. This paper explores the applicability of GPUs for deterministic neutron transport. A 2D method of characteristics (MOC) code - OpenMOC - has been developed with solvers for both shared memory multi-core platforms as well as GPUs. The multi-threading and memory locality methodologies for the GPU solver are presented. Performance results for the 2D C5G7 benchmark demonstrate 25-35 x speedup for MOC on the GPU. The lessons learned from this case study will provide the basis for further exploration of MOC on GPUs as well as design decisions for hardware vendors exploring technologies for the next generation of machines for scientific computing. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Experiences in autotuning matrix multiplication for energy minimization on GPUs

In this study, we report extensive results and analysis of autotuning the computationally intensive graphics processing units kernel for dense matrix–matrix multiplication in double precision. In contrast to traditional autotuning and/or optimization for runtime performance only, we also take the energy efficiency into account. For kernels achieving equal performance, we show significant differences in their energy balance. We also identify the memory throughput as the most influential metric that trades off performance and energy efficiency. Finally, as a result, the performance optimal case ends up not being the most efficient kernel in overall resource use.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Converting DYNAMO simulations to Powersim Studio simulations

DYNAMO is a computer program for building and running 'continuous' simulation models. It was developed by the Industrial Dynamics Group at the Massachusetts Institute of Technology for simulating dynamic feedback models of business, economic, and social systems. The history of the system dynamics method since 1957 includes many classic models built in DYANMO. It was not until the late 1980s that software was built to take advantage of the rise of personal computers and graphical user interfaces that DYNAMO was supplanted. There is much learning and insight to be gained from examining the DYANMO models and their accompanying research papers. We believe that it is a worthwhile exercise to convert DYNAMO models to more recent software packages. We have made an attempt to make it easier to turn these models into a more current system dynamics software language, Powersim © Studio produced by Powersim AS 2 of Bergen, Norway. This guide shows how to convert DYNAMO syntax into Studio syntax.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

A Module for Graphical Display of Model Results with the CBP Toolbox

This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to add enhanced graphical capabilities to display model results in the Cementitious Barriers Project (CBP) Toolbox. Because Version 2.0 of the CBP Toolbox has just been released, the graphing enhancements described in this report have not yet been integrated into a new version of the Toolbox. Instead they have been tested using a standalone GoldSim model and, while they are substantially complete, may undergo further refinement before full implementation. Nevertheless, this report is issued to document the FY14 development efforts which will provide a basis for further development of the CBP Toolbox.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Nuclear Facility Accident (NFAC) Unit Test Report For HPAC Version 6.3

This is a unit test report for the Nuclear Facility Accident (NFAC) model for the Hazard Prediction and Assessment Capability (HPAC) version 6.3. NFAC’s responsibility as an HPAC component is three-fold. First, it must present an interactive graphical user interface (GUI) by which users can view and edit the definition of an NFAC incident. Second, for each incident defined, NFAC must interact with RTH to create activity table inputs and associate them with pseudo materials to be transported via SCIPUFF. Third, NFAC must create SCIPUFF releases with the associated pseudo materials for transport and dispersion. The goal of NFAC unit testing is to verify that the inputs it produces are correct for the source term or model definition as specified by the user via the GUI.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

Genometa - A Fast and Accurate Classifier for Short Metagenomic Shotgun Reads

Metagenomic studies use high-throughput sequence data to investigate microbial communities in situ. However, considerable challenges remain in the analysis of these data, particularly with regard to speed and reliable analysis of microbial species as opposed to higher level taxa such as phyla. We here present Genometa, a computationally undemanding graphical user interface program that enables identification of bacterial species and gene content from datasets generated by inexpensive high-throughput short read sequencing technologies. Our approach was first verified on two simulated metagenomic short read datasets, detecting 100% and 94% of the bacterial species included with few false positives or false negatives. Subsequent comparative benchmarking analysis against three popular metagenomic algorithms on an Illumina human gut dataset revealed Genometa to attribute the most reads to bacteria at species level (i.e. including all strains of that species) and demonstrate similar or better accuracy than the other programs. Lastly, speed was demonstrated to be many times that of BLAST due to the use of modern short read aligners. Our method is highly accurate if bacteria in the sample are represented by genomes in the reference sequence but cannot find species absent from the reference. This method is one of the most user-friendly and resource efficient approaches and is thus feasible for rapidly analysing millions of short reads on a personal computer.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The Effect of the Prior and the Experimental Design on the Inference of the Precision Matrix in Gaussian Chain Graph Models

Here, we investigate whether (and how) experimental design could aid in the estimation of the precision matrix in a Gaussian chain graph model, especially the interplay between the design, the effect of the experiment and prior knowledge about the effect. Estimation of the precision matrix is a fundamental task to infer biological graphical structures like microbial networks. We compare the marginal posterior precision of the precision matrix under four priors: flat, conjugate Normal-Wishart, Normal-MGIG and a general independent. Under the flat and conjugate priors, the Laplace-approximated posterior precision is not a function of the design matrix rendering useless any efforts to find an optimal experimental design to infer the precision matrix. In contrast, the Normal-MGIG and general independent priors do allow for the search of optimal experimental designs, yet there is a sharp upper bound on the information that can be extracted from a given experiment. We confirm our theoretical findings via a simulation study comparing (i) the KL divergence between prior and posterior and (ii) the Stein’s loss difference of MAPs between random and no experiment. Our findings provide practical advice for domain scientists conducting experiments to better infer the precision matrix as a representation of a biological network.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Development of Improved Graphical Displays for an Advanced Outage Control Center, Employing Human Factors Principles for Outage Schedule Management

The long-term viability of existing nuclear power plants in the United States (U.S.) is dependent upon a number of factors, including maintaining high capacity factors, maintaining nuclear safety, and reducing operating costs, particularly those associated with refueling outages. Refueling outages typically take 20-30 days, and for existing light water NPPs in the U.S., the reactor cannot be in operation during the outage. Furthermore, given that many NPPs generate between $1-1.5 million/day in revenue when in operation, there is considerable interest in shortening the length of refueling outages. Yet refueling outages are highly complex operations, involving multiple concurrent and dependent activities that are somewhat challenging to coordinate; therefore, finding ways to improve refueling outage performance, while maintaining nuclear safety has proven to be difficult. The Advanced Outage Control Center (AOCC) project is a research and development (R&D) demonstration activity under the LWRS Program. LWRS is an R&D program that works closely with industry R&D programs to establish technical foundations for the licensing and managing of long-term, safe, and economical operation of current fleet of NPPs. As such, the LWRS Advanced Outage Control Center project has the goal of improving the management of commercial NPP refueling outages. To accomplish this goal, INL is developing an advanced outage control center (OCC) that is specifically designed to maximize the usefulness of communication and collaboration technologies for outage coordination and problem resolution activities. The overall focus is on developing an AOCC with the following capabilities that enables plant and OCC staff to; Collaborate in real-time to address emergent issues; Effectively communicate outage status to all workers involved in the outage; Effectively communicate discovered conditions in the field to the OCC; Provide real-time work status; Provide automatic pending support notifications; Provide real-time requirements monitoring; Maximize their collective situational awareness to improve decision-making; and Leverage macro data to better support resource allocation. INL has partnered with several commercial NPP utilities to develop a number of advanced outage management technologies. These outage management technologies have focused on both collaborative technologies for control centers and developing mobile technologies for NPP field workers. This report describes recent efforts made in developing a suite of outage technologies to support more effective schedule management. Currently, a master outage schedule is created months in advance using the plant’s existing scheduling software (e.g., Primavera P6). Typically, during the outage, the latest version of the schedule is printed at the beginning of each shift. INL and its partners are developing technologies that will have capabilities such as Automatic Schedule Updating, Automatic Pending Support Notifications, and the ability to allocate and schedule outage support task resources on a sub-hour basis (e.g., outage Micro-Scheduling). The remaining sections of this report describe in more detail the scheduling challenges that occur during outages, how the outage scheduling technologies INL is developing helps address those challenges, and the latest developments on this task (e.g., work accomplished to date and the path forward)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Implementation and Validation of a Generalized Actuator Disk Parameterization for Wind Turbine Simulations Within the FastEddy Model

ABSTRACT Fast and accurate large‐eddy simulation (LES) of the atmospheric boundary layer plays a crucial role in advancing wind energy research. Long‐duration wind farm studies at turbine‐resolving scales have become increasingly important to understand the intricate interactions between large wind farms and the atmospheric boundary layer. However, the prohibitive computational cost of these turbulence‐ and turbine‐resolving simulations has precluded such modeling to be exercised on a regular basis. To that end, we implement and validate the generalized actuator disk (GAD) model in the computationally efficient, graphics processing unit (GPU)–resident, LES model FastEddy. We perform single‐turbine simulations under three atmospheric stabilities (neutral, unstable, and stable) and compare them against observations from the Scaled Wind Farm Technology (SWiFT) facility and other LES codes from the recent Wakebench turbine wake model benchmark. Our idealized LES results agree well with observed wake velocity deficit and downstream recovery across stability regimes. Turbine response in terms of rotational speed, generated power, torque, and thrust coefficient are well predicted across stability regimes and are consistent with the LES results from the benchmark. The FastEddy simulations are found to be at least two orders of magnitude more efficient than the traditional CPU‐based LES models, opening the door for realistic LES simulations of full wind plants as a viable standard practice.

17 WIND ENERGY↗
DOE OSTI2022

Electron microscopy holdings of the Protein Data Bank: the impact of the resolution revolution, new validation tools, and implications for the future

Abstract As a discipline, structural biology has been transformed by the three-dimensional electron microscopy (3DEM) “Resolution Revolution” made possible by convergence of robust cryo-preservation of vitrified biological materials, sample handling systems, and measurement stages operating a liquid nitrogen temperature, improvements in electron optics that preserve phase information at the atomic level, direct electron detectors (DEDs), high-speed computing with graphics processing units, and rapid advances in data acquisition and processing software. 3DEM structure information (atomic coordinates and related metadata) are archived in the open-access Protein Data Bank (PDB), which currently holds more than 11,000 3DEM structures of proteins and nucleic acids, and their complexes with one another and small-molecule ligands (~ 6% of the archive). Underlying experimental data (3DEM density maps and related metadata) are stored in the Electron Microscopy Data Bank (EMDB), which currently holds more than 21,000 3DEM density maps. After describing the history of the PDB and the Worldwide Protein Data Bank (wwPDB) partnership, which jointly manages both the PDB and EMDB archives, this review examines the origins of the resolution revolution and analyzes its impact on structural biology viewed through the lens of PDB holdings. Six areas of focus exemplifying the impact of 3DEM across the biosciences are discussed in detail (icosahedral viruses, ribosomes, integral membrane proteins, SARS-CoV-2 spike proteins, cryogenic electron tomography, and integrative structure determination combining 3DEM with complementary biophysical measurement techniques), followed by a review of 3DEM structure validation by the wwPDB that underscores the importance of community engagement.

Burley, Stephen K. (ORCID:0000000224879713)↗
DOE OSTI2023

Accelerating Machine Learning Inference with GPUs in ProtoDUNE Data Processing

Abstract We study the performance of a cloud-based GPU-accelerated inference server to speed up event reconstruction in neutrino data batch jobs. Using detector data from the ProtoDUNE experiment and employing the standard DUNE grid job submission tools, we attempt to reprocess the data by running several thousand concurrent grid jobs, a rate we expect to be typical of current and future neutrino physics experiments. We process most of the dataset with the GPU version of our processing algorithm and the remainder with the CPU version for timing comparisons. We find that a 100-GPU cloud-based server is able to easily meet the processing demand, and that using the GPU version of the event processing algorithm is two times faster than processing these data with the CPU version when comparing to the newest CPUs in our sample. The amount of data transferred to the inference server during the GPU runs can overwhelm even the highest-bandwidth network switches, however, unless care is taken to observe network facility limits or otherwise distribute the jobs to multiple sites. We discuss the lessons learned from this processing campaign and several avenues for future improvements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Thermodynamical properties of (Pr{sub 1−y}Sm{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (0 ≤ y ≤ 1)

Graphical abstract: Computed specific heat of (Pr{sub 1−y}Sm{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (0 ≤ y ≤ 1) for the temperature range 1 K ≤ T ≤ 300 K. The curves of higher doping are shifted upward by 10 J each from the preceding curve for clarity. Highlights: ► The negative values of cohesive energy show the stability of (Pr{sub 1−y}Sm{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (0 ≤ y ≤ 1) compounds. ► Our results on specific heat are in good agreement with the experimental data. ► The stability of (Pr{sub 1−y}Sm{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (0 ≤ y ≤ 1) perovskite increases with the Sm substitution. - Abstract: The thermodynamical and allied properties of (Pr{sub 1−y}Sm{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (0 ≤ y ≤ 1) were investigated in this paper by means of a modified rigid ion model (MRIM) with pair wise interatomic interaction potential. The calculated specific heat, bulk modulus, and other thermal properties reproduce well with the available experimental data, implying that MRIM represents properly the nature of the perovskite type cobaltates. The specific heats are found to increase with temperature and decrease with concentration (y) for the present cobaltates. The increase in Debye temperature (θ{sub D}) indicates an anomalous softening of the lattice specific heat due to increase in T{sup 3}-term in the specific heat occurs with the decrease of y.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Dual Gate Thin Film Transistors Based on Indium Oxide Active Layers

Polycrystalline Indium Oxide (In{sub 2}O{sub 3}) thin films were employed as an active channel layer for the fabrication of bottom and top gate thin film transistors. While conventional SiO{sub 2} served as a bottom gate dielectric, cross-linked poly-4-vinylphenol (PVP) was used a top gate dielectric. These nano-crystalline TFTs exhibited n-channel behavior with their transport behavior highly dependent on the thickness of the channel. The correlation between the thickness of the active layer and TFT parameters such as on/off ratio, field-effect mobility, threshold voltage were carried out. The optical spectra revealed a high transmittance in the entire visible region, thus making them promising candidates for the display technology.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Optical and structural analysis of lead bismuth silicate glasses

Glasses having compositions 20PbO(79.5-x)Bi{sub 2}O{sub 3}xSiO{sub 2} (x = 10,30,50) doped with 0.5 mole% of Nd{sup 3+} ions were prepared by melt quench technique. The spectroscopic properties of the glasses were investigated using optical absorption and fluorescence spectra. The structural investigations of these glasses were carried out by recording the IR spectra. The variation of {Omega}{sub 2} with Bi{sub 2}O{sub 3} content has been attributed to changes in the asymmetry of the ligand field at the rare earth ion site and to the changes in the rare earth oxygen covalency. Heavy metal oxide glasses have been used as potential candidate in solid state laser, solar concentrators, optical detector, optical fiber and fluorescent display devices.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Application of synchrotron radiation computed microtomography for quantification of bone microstructure in human and rat bones

This work aims to evaluate histomorphometric quantification by synchrotron radiation computed microto-mography in bones of human and rat specimens. Bones specimens are classified as normal and pathological (for human samples) and irradiated and non-irradiated samples (for rat ones). Human bones are specimens which were affected by some injury, or not. Rat bones are specimens which were irradiated, simulating radiotherapy procedures, or not. Images were obtained on SYRMEP beamline at the Elettra Synchrotron Laboratory in Trieste, Italy. The system generated 14 {mu}m tomographic images. The quantification of bone structures were performed directly by the 3D rendered images using a home-made software. Resolution yielded was excellent what facilitate quantification of bone microstructures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

A probabilistic model for the identification of confinement regimes and edge localized mode behavior, with implications to scaling laws

Pattern recognition is becoming an important tool in fusion data analysis. However, fusion diagnostic measurements are often affected by considerable statistical uncertainties, rendering the extraction of useful patterns a significant challenge. Therefore, we assume a probabilistic model for the data and perform pattern recognition in the space of probability distributions. We show the considerable advantage of our method for identifying confinement regimes and edge localized mode behavior, and we discuss the potential for scaling laws.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A split imaging spectrometer for temporally and spatially resolved titanium absorption spectroscopy

We present a temporally and a spatially resolved spectrometer for titanium x-ray absorption spectroscopy along 2 axial symmetric lines-of-sight. Each line-of-sight of the instrument uses an elliptical crystal to acquire both the 2p and 3p Ti absorption lines on a single, time gated channel of the instrument. The 2 axial symmetric lines-of-sight allow the 2p and 3p absorption features to be measured through the same point in space using both channels of the instrument. The spatially dependent material temperature can be inferred by observing the 2p and the 3p Ti absorption features. The data are recorded on a two strip framing camera with each strip collecting data from a single line-of-sight. The design is compatible for use at both the OMEGA laser and the National Ignition Facility. The spectrometer is intended to measure the material temperature behind a Marshak wave in a radiatively driven SiO{sub 2} foam with a Ti foam tracer. In this configuration, a broad band CsI backlighter will be used for a source and the Ti absorption spectrum measured.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗