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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 343 records · Page 19

Numerical Study of Quantum Hall Bilayers at Total Filling ν T = 1 : A New Phase at Intermediate Layer Distances

We view the phase diagram of quantum Hall bilayer systems with total filing ν T = 1/2 + 1/2 of the lowest Landau level as a function of layer distances d . Based on numerical exact diagonalization calculations, we obtain three distinct phases, including an exciton superfluid phase with spontaneous interlayer coherence at small d , a composite Fermi liquid at large d , and an intermediate phase for 1.1 < d/l B < 1.8 (l B is the magnetic length). The transition from the exciton superfluid to the intermediate phase is identified by (i) a dramatic change in the Berry curvature of the ground state under twisted boundary conditions on the two layers and (ii) an energy level crossing of the first excited state. The transition from the intermediate phase to the composite Fermi liquid is identified by the vanishing of the exciton superfluid stiffness. Moreover, from our finite-size study, the energy cost of transferring one electron between the layers shows an even-odd effect and possibly extrapolates to a finite value in the thermodynamic limit, indicating the enhanced intralayer correlation. Our identification of an intermediate phase and its distinctive features shed new light on the theoretical understanding of the quantum Hall bilayer system at total filling ν T = 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evolution of the ROOT Tree I/O

The ROOT TTree data format encodes hundreds of petabytes of High Energy and Nuclear Physics events. Its columnar layout drives rapid analyses, as only those parts (“branches”) that are really used in a given analysis need to be read from storage. Its unique feature is the seamless C++ integration, which allows users to directly store their event classes without explicitly defining data schemas. In this contribution, we present the status and plans of the future ROOT 7 event I/O. Along with the ROOT 7 interface modernization, we aim for robust, where possible compile-time safe C++ interfaces to read and write event data. On the performance side, we show first benchmarks using ROOT’s new experimental I/O subsystem that combines the best of TTrees with recent advances in columnar data formats. A core ingredient is a strong separation of the high-level logical data layout (C++ classes) from the low-level physical data layout (storage backed nested vectors of simple types). We show how the new, optimized physical data layout speeds up serialization and deserialization and facilitates parallel, vectorized and bulk operations. This lets ROOT I/O run optimally on the upcoming ultra-fast NVRAM storage devices, as well as file-less storage systems such as object stores.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data Resilience in the dCache Storage System

In this study we discuss design, implementation considerations, and performance of a new Resilience Service in the dCache storage system responsible for file availability and durability functionality.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates

Characterizing glycans and glycoconjugates in the context of three-dimensional structures is important in understanding their biological roles and developing efficient therapeutic agents. Computational modeling and molecular simulation have become an essential tool complementary to experimental methods. In this work, we present a computational tool, Glycan Modeler for in silico N–/O –glycosylation of the target protein and generation of carbohydrate-only systems. In our previous study, we developed Glycan Reader , a web-based tool for detecting carbohydrate molecules from a PDB structure and generation of simulation system and input files. As integrated into Glycan Reader in CHARMM-GUI, Glycan Modeler (Glycan Reader & Modeler) enables to generate the structures of glycans and glycoconjugates for given glycan sequences and glycosylation sites using PDB glycan template structures from Glycan Fragment Database (http://glycanstructure.org/fragment-db). Our benchmark tests demonstrate the universal applicability of Glycan Reader & Modeler to various glycan sequences and target proteins. We also investigated the structural properties of modeled glycan structures by running 2-μs molecular dynamics simulations of HIV envelope protein. The simulations show that the modeled glycan structures built by Glycan Reader & Modeler have the similar structural features compared to the ones solved by X-ray crystallography. We also describe the representative examples of glycoconjugate modeling with video demos to illustrate the practical applications of Glycan Reader & Modeler . Glycan Reader & Modeler is freely available at http://charmm-gui.org/input/glycan.

59 BASIC BIOLOGICAL SCIENCES↗

TU-H-CAMPUS-IeP2-05: Breast and Soft Tissue-Equivalent 3D Printed Phantoms for Imaging and Dosimetry

Purpose: The study has the goal to demonstrate that breast and soft tissue-equivalent phantoms for dosimetry applications in the diagnostic energy range can be fabricated using common 3D printing methods. Methods: 3D printing provides the opportunity to rapidly prototype uniquely designed objects from a variety of materials. Common 3D printers are usually limited to printing objects based on thermoplastic materials such as PLA, or ABS. The most commonly available plastic is PLA, which has a density significantly greater than soft tissue. We utilized a popular 3D printer to demonstrate that tissue specific phantom materials can be generated through the careful selection of 3D printing parameters. A series of stepwedges were designed and printed using a Makerbot Replicator2 3D printing system. The print file provides custom adjustment of the infill density, orientation and position of the object on the printer stage, selection of infill patterns, and other control parameters. The x-ray attenuation and uniformity of fabricated phantoms were evaluated and compared to common tissue-equivalent phantom materials, acrylic and BR12. X-ray exposure measurements were made using narrow beam geometry on a clinical mammography unit at 28 kVp on the series of phantoms. The 3D printed phantoms were imaged at 28 kVp to visualize the internal structure and uniformity in different planes of the phantoms. Results: By utilizing specific in-fill density and patterns we are able to produce a phantom closely matching the attenuation characteristics of BR12 at 28 kVp. The in-fill patterns used are heterogeneous, so a judicious selection of fill pattern and the orientation of the fill pattern must be made in order to obtain homogenous attenuation along the intended direction of beam propagation. Conclusions: By careful manipulation of the printing parameters, breast and soft tissue-equivalent phantoms appropriate for use at imaging energies can be fabricated using 3D printing techniques.

60 APPLIED LIFE SCIENCES↗

Utah FORGE Project 3-2417: Simulations for Distributed Acoustic Sensing Strain Signatures as an Indicator of Fracture Connectivity

This dataset encompasses simulations of strain signatures from both hydraulically connected and "near-miss" fractures in enhanced geothermal systems (EGS). The files and results are presented from the perspective of digital acoustic sensing's (DAS) potential to differentiate the two fracture types. This dataset was acquired by the FOGMORE R&D project (Fiber Optic Geophysical MOnitoring of Reservoir Evolution), under Utah FORGE R&D Project 3-2417. Included are simulation and results via MatLab and COMSOL files, as well as a thesis and paper summarizing the results. Some stimulated fractures may be incomplete, approaching but not intersecting the production well. These "near-miss" fractures can be addressed in future stimulation stages or re-stimulated to complete the connection. We propose the use of fiber optic distributed acoustic sensing (DAS) as a method by which near-miss stimulated fractures may be identified and distinguished from hydraulically connected fractures. The low-frequency sub-nanostrain signatures of both complete and near-miss fractures in DAS data are simulated in this study using a hydrogeomechanical discrete fracture network model. The spatial distribution of strain was found to be an accurate indicator. However, this indicator must be evaluated in the context of DAS gauge length and spatial sampling. These simulations are a precursor to tests conducted at FORGE in 2023.

15 GEOTHERMAL ENERGY↗

Active Suppression of Drilling System Vibrations For Deep Drilling

The dynamic stability of deep drillstrings is challenged by an inability to impart controllability with ever-changing conditions introduced by geology, depth, structural dynamic properties and operating conditions. A multi-organizational LDRD project team at Sandia National Laboratories successfully demonstrated advanced technologies for mitigating drillstring vibrations to improve the reliability of drilling systems used for construction of deep, high-value wells. Using computational modeling and dynamic substructuring techniques, the benefit of controllable actuators at discrete locations in the drillstring is determined. Prototype downhole tools were developed and evaluated in laboratory test fixtures simulating the structural dynamic response of a deep drillstring. A laboratory-based drilling applicability demonstration was conducted to demonstrate the benefit available from deployment of an autonomous, downhole tool with self-actuation capabilities in response to the dynamic response of the host drillstring. A concept is presented for a prototype drilling tool based upon the technical advances. The technology described herein is the subject of U.S. Patent Application No. 62219481, entitled "DRILLING SYSTEM VIBRATION SUPPRESSION SYSTEMS AND METHODS", filed September 16, 2015.

Raymond, David W.↗

AWAKEN Site A1 - LLNL Profiling Lidar (ZX300 #1381) / Raw Data

This dataset contains vertical profiling lidar data from AWAKEN site A1. This is the ZX300 unit #1381 lidar system. The .csv files are monthly data files with 10-min average data. The .zip files are daily high frequency data and zipped by month.

17 WIND ENERGY↗

A1 LLNL Profiling Lidar #773

This dataset contains vertical profiling lidar data from AWAKEN site A1. This is the ZephIR300 #773 lidar system. The .csv files are monthly data files with 10-min average data. The .zip files are daily high frequency data and zipped by month.

17 WIND ENERGY↗

Data Transfer Tool (HPC Annual Report V.3.1)

Sandia has been developing and supporting data transfer tools for over 20 years and has the expertise to take DOE into the Extreme Scale era. In looking at Exascale and beyond (Extreme Scale Computing), data sets can be thousands of 500TBs in size, a single file can be in the 100TB range, and billions of files are expected. Huge bursts of data need to be transferred, even today. While data archiving is often not thought about, it is an integral part of the full data management path when data is generated on HPC systems. In order to move generated data to its final resting place (data archive) or to transfer between file systems, a capable data transfer tool is required.

97 MATHEMATICS AND COMPUTING↗

Utah FORGE: Seismic and Other Shapefiles from the Roosevelt Hot Springs Area

Three shapefiles in this submission show the position of proposed seismic line surveys. The mid-crustal velocity anomaly file shows the extent of an anomalously low P-wave velocity zone in the subsurface. Two other files show the extent of known hydrothermal systems in the Roosevelt Hot Springs area. Another file shows the location of the proposed water pipeline to pump water from the supply wells to the deep drill site.

15 GEOTHERMAL ENERGY↗

MyEMSL MTS File Cache Manager

MTS manager for retrieving files from MyEMSL; The MyEMSL MTS File Cache Manager is a part of PRISM, the Proteomics Research Information and Management System. The software processes the MyEMSL Download Queue in the Mass and Time Tag System (MTS) to download files required for processing.

Monroe, Matthew↗

A flexible data acquisition system architecture for the Nab experiment

Here, the Nab experiment will measure the electron–neutrino correlation and Fierz interference term in free neutron beta decay to test the Standard Model and probe Beyond the Standard Model physics. Using National Instrument’s PXIe-5171 Reconfigurable Oscilloscope module, we have developed a data acquisition system that is not only capable of meeting Nab’s specifications, but flexible enough to be adapted in situ as the experimental environment dictates. The L1 and L2 trigger logic can be reconfigured to optimize the system for coincidence event detection at runtime through configuration files and LabVIEW controls. This system is capable of identifying L1 triggers at a rate of at least 1 MHz, while reading out a peak signal rate of approximately 2 GB/s. During the commissioning phase of the experiment, the system ran at a sustained readout rate of 400 MB/s of detector signal data originating from roughly 6 kHz L2 triggers, well within the peak performance of the system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SLICE

For most of their lifetime, pebble-bed reactors (PBRs) operate at an equilibrium state in which the core is filled with fuel pebbles at various levels of burnup. A fuel pebble travels multiple times in so-called passes through the reactor before it reaches its target discharge burnup and is replaced with a fresh fuel pebble. Given the stochastic nature of the fuel pebble travel paths and consequently the individual fuel pebble histories, it is not possible with standard methods developed for traditional reactor concepts to calculate the fuel inventory in the reactor core. An iterative approach, the SCALE Leap-In method for Cores at Equilibrium (SLICE), was developed to generate region-average fuel inventory for a PBR. The SLICE code enables automatic generation of input files for the SCALE code system (https://www.ornl.gov/scale), management of the SCALE result files, and analysis of results.

Bostelmann, Friederike [Oak Ridge National Laborat↗

Usability and Optimization Improvements in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple nonlinear systems in the same input file, implementation of generic field transfers and other transfer system enhancements, support for stateful material property redistribution for adaptivity and distributed meshes, and dynamic linking and loading of individually compiled applications. These four additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗

Automated Production of Optimization-Based Control Logics for Dynamic Facade Systems, with Experimental Application to Two-Zone External Venetian Blinds

The primary goal of this research is to devise a system that produces controllers for complex fenestration systems that perform nearly as well as Model Predictive Control but at a level of cost and implementation complexity that rivals simple heuristic controls. To this end, a cloud-based automated controller production system has been set up for a motorized external Venetian blind device, with a simple web interface that can be used by non-experts. The computation cost per controller is in the range of a few dollars, and the control logic is simple enough to be implemented on small and cheap distributed controllers. The web interface allows the user to specify some details of their particular building and window configuration, including orientation, latitude, interior geometries, and lighting and HVAC system parameters. Upon submittal, a cloud-based system configures the necessary files and commands, and then runs thousands of optimizations with them. Once the calculations are finished, the system produces a lookup table and interpolation-based controller scripts that can be used on a simple and cheap distributed controller. This paper describes the underlying models and optimization processes. It also describes the resulting control logics for two cases tested at Lawrence Berkeley National Laboratory’s Advanced Windows Testbed Facility: illuminance maximization subject to glare constraints; and lighting + HVAC energy minimization. The performance of the model-based controllers produced by the automated web-based system are compared to a heuristic ‘block beam’ controller in physical experiments at the Testbed. The experimental results are supplemented by simulation experiments with the same configuration as the Testbed. The results show the illuminance maximizing controller significantly outperforms the heuristic controller in terms of glare avoidance, and also outperforms it in terms of hours of daylight autonomy. The energy minimizing controller also outperforms the heuristic controller. This paper also discusses how the web-based system may be extended to consider other configurations, such as electrochromic windows and thermally massive HVAC systems. Potential roles for this type of system within the building design and construction industry are discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Singularity v1.x

Singularity is a container solution designed to facilitate mobility of compute across systems and HPC infrastructures. It does this by creating minimal containers that are defined by a specfile and files from the host system are used to build the container. The resulting container can then be launched by any Linux computer with Singularity installed regardless if the programs inside the container are present on the target system, or if they are a different version, or even incompatible versions. Singularity achieves extreme portability without sacrificing usability thus solving the need of mobility of compute. Singularity containers can be executed within a normal/standard command line process flow.

Kurtzer, Gregory↗

PDQ Users Manual. Manual Version 2, for PDQ Code Version 1.20

PDQ is a tool for the management of the input and execution of batch jobs for simulation codes that use a text based input system. It accomplishes this goal by operating at two levels. First, it takes input file templates (commonly known at LANL as input deck templates) and creates multiple instantiations by performing substitutions of data from table files into symbols (variables) found in the template. Second, it provides commands to submit the created files to the SLURM batch system for execution. These two activities taken together produce a whole that is greater than the sum of its parts and provides an elegant way of executing studies across multiple similar simulations while minimizing the risk of typographical errors in the input files. PDQ was originally developed as a job management system called XVS by Jeff McAninch while he was at LANL. Besides the capabilities described here, XVS had many other features specific for interactions with particular simulation codes. After Jeff’s departure, maintenance of XVS was taken over by Rendell Carver; he added some new features as well as kept it functioning as the batch system at LANL was changed from LSF to MOAB to SLURM. In 2017, Rob Pelak decided to develop a different version that removed the additional features (many of which were rendered obsolete with the retirement of the simulation code or batch system that they supported) and produced a cleaner “bare bones” version of XVS. A few other behaviors of XVS that Rob found irksome were altered. Rob gave the resulting code a new name: PDQ. In 2022 Danielle McDermott developed a version that runs under Python 3.X. As suggested by Rob, she used the python2to3 utility to identify most changes. Given that PDQ continues to operate with Python version 2.7 we have advanced the version number to 1.20.

97 MATHEMATICS AND COMPUTING↗