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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Analysis of DOE's Roof Savings Calculator with Comparison to other Simulation Engines

A web-based Roof Savings Calculator (RSC) has been deployed for the Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. This tool employs the latest web technologies and usability design to provide an easy input interface to an annual simulation of hour-by-hour, whole-building performance using the world-class simulation tools DOE-2.1E and AtticSim. Building defaults were assigned based on national averages and can provide estimated annual energy and cost savings after the user selects nothing more than building location. In addition to cool reflective roofs, the RSC tool can simulate multiple roof and attic configurations including different roof slopes, above sheathing ventilation, radiant barriers, low-emittance surfaces, HVAC duct location, duct leakage rates, multiple layers of building materials, ceiling and deck insulation levels, and other parameters. A base case and energy-efficient alternative can be compared side-by-side to generate an energy/cost savings estimate between two buildings. The RSC tool was benchmarked against field data for demonstration homes in Ft. Irwin, CA. However, RSC gives different energy savings estimates than previous cool roof simulation tools so more thorough software and empirical validation proved necessary. This report consolidates much of the preliminary analysis for comparison of RSC s projected energy savings to that from other simulation engines.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Specification of Fenix MPI Fault Tolerance library version 1.0.1

This document provides a specification of Fenix, a software library compatible with the Message Passing Interface (MPI) to support fault recovery without application shutdown. The library consists of two modules. The first, termed process recovery , restores an application to a consistent state after it has suffered a loss of one or more MPI processes (ranks). The second specifies functions the user can invoke to store application data in Fenix managed redundant storage, and to retrieve it from that storage after process recovery.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2016

Specification of Fenix MPI Fault Tolerance library (V. 1.0)

This document provides a specification of Fenix, a software library compatible with the Message Passing Interface (MPI) to support fault recovery without application shutdown. The library consists of two modules. The first, termed process recovery, restores an application to a consistent state after it has suffered a loss of one or more MPI processes (ranks). The second specifies functions the user can invoke to store application data in Fenix managed redundant storage, and to retrieve it from that storage after process recovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Reproducibility responsibilities in the HPC arena

Expecting bit-for-bit reproducibility in the HPC arena is not feasible because of the ever changing hardware and software. No user s application is an island; it lives in an HPC eco-system that changes over time. Old hardware stops working and even old software won t run on new hardware. Further, software libraries change over time either by changing the internals or even interfaces. So bit-for-bit reproducibility should not be expected. Rather a reasonable expectation is that results are reproducible within error bounds; or that the answers are close (which is its own debate.) To expect a researcher to reproduce their own results or the results of others within some error bounds, there must be enough information to recreate all the details of the experiment. This requires complete documentation of all phases of the researcher s workflow; from code to versioning to programming and runtime environments to publishing of data. This argument is the core statement of the Yale 2009 Declaration on Reproducible Research [1]. Although the HPC ecosystem is often outside the researchers control, the application code could be built almost identically and there is a chance for very similar results with just only round-off error differences. To achieve complete documentation at every step, the researcher, the computing center, and the funding agencies all have a role. In this thesis, the role of the researcher is expanded upon as compared to the Yale report and the role of the computing centers is described.

Fahey, Mark R↗
DOE OSTI2018

Fitting program for linear regressions according to Mahon (1996)

This program takes the users' Input data and fits a linear regression to it using the prescription presented by Mahon (1996). Compared to the commonly used York fit, this method has the correct prescription for measurement error propagation. This software should facilitate the proper fitting of measurements with a simple Interface.

Trappitsch, RetoG.↗
DOE OSTI2016

Gridder, Version 3

GRIDDER is a simple interactive grid generation tool for creating orthogonal, 2D quadrilateral or 3D hexahedral grids. Grid spacing can be even, logarithmic, or geometric. Gridder creates orthogonal one-dimensional, two-dimensional, or three- dimensional grids. Each dimension can have multiple regions, each with different nodal spacing. This spacing can be equal spacing, geometric spacing, or logarithmic spacing. The resulting grid can be output in AVS (Advanced Visualization Systems) format, Tracer 30, Vectors, or FEHM format. Coordinate and connectivity data are output for AVS, but only coordinate data is output for Tracer30. As it runs, Gridder prompts the user for input such as number of dimensions, number of regions in each dimension, coordinates of region borders, number of divisions in each region, spacing specifications of each region, and output format. The Gridder can also accept the necessary information from a file, bypassing the interactive interface. Every time the interactive interface is used, the input parameters are saved to a file so that the same grid can be regenerated from that file.

Gable, Carl↗
DOE OSTI2023

Test Flights of NOAA Ozone Photometer for Uncrewed Aerial Systems (UAS)/Balloon-Based Studies (OPUS) during TRACER (Field Campaign Report)

We proposed to integrate and fly the National Oceanic and Atmospheric Administration (NOAA) Ozone Photometer for Uncrewed Aerial Systems (UAS)/Balloon-Based Studies (OPUS) on the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s tethered balloon system (TBS) during the second phase (August 1-15) of the 2022 Tracking Aerosol Convection Interactions Experiment (TRACER) in southwest Houston, Texas. The two main goals were: 1) Test fly the sensor to discover and address any potential problems such as interface and communication with other instruments, interferences with other instruments and radio, and 2) If OPUS performs well, then inter-compare OPUS with the EN-SCI ozonesondes that will also be flown on the TBS. The collaborating institutions are DOE Sandia National Laboratories TBS team, the University of Houston, and St. Edward's University.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

CPMC-Lab: A Matlab package for Constrained Path Monte Carlo calculations

We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to ab initio calculations in molecules and solids. The present package implements the full ground-state constrained-path Monte Carlo (CPMC) method in Matlab with a graphical interface, using the Hubbard model as an example. The package can perform calculations in finite supercells in any dimensions, under periodic or twist boundary conditions. Importance sampling and all other algorithmic details of a total energy calculation are included and illustrated. This open-source tool allows users to experiment with various model and run parameters and visualize the results. It provides a direct and interactive environment to learn the method and study the code with minimal overhead for setup. Furthermore, the package can be easily generalized for auxiliary-field quantum Monte Carlo (AFQMC) calculations in many other models for correlated electron systems, and can serve as a template for developing a production code for AFQMC total energy calculations in real materials. Several illustrative studies are carried out in one- and two-dimensional lattices on total energy, kinetic energy, potential energy, and charge- and spin-gaps.

Computer Science↗
DOE OSTI2024

GDSA framework, a computational framework for complex modeling problems in radioactive waste management

This paper details a computational framework to produce automated, graphical workflows, and how this framework can be deployed to support complex modeling problems like those in nuclear engineering. Key benefits of the framework include: automating previously manual workflows; intuitive construction and communication of workflows through a graphical interface; and automated file transfer and handling for workflows deployed across heterogeneous computing resources. This paper demonstrates the framework's application to probabilistic post-closure performance assessment of systems for deep geologic disposal of nuclear waste. However, the framework is a general capability that can help users running a variety of computational studies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

A RESTful API for accessing microbial community data for MG-RAST

Metagenomic sequencing has produced significant amounts of data in recent years. For example, as of summer 2013, MGRAST has been used to annotate over 110,000 data sets totaling over 43 Terabases. With metagenomic sequencing finding even wider adoption in the scientific community, the existing web-based analysis tools and infrastructure in MG-RAST provide limited capability for data retrieval and analysis, such as comparative analysis between multiple data sets. Moreover, although the system provides many analysis tools, it is not comprehensive. By opening MG-RAST up via a web services API (application programmers interface) we have greatly expanded access to MG-RAST data, as well as provided a mechanism for the use of third-party analysis tools with MG-RAST data. This RESTful API makes all data and data objects created by the MG-RAST pipeline accessible as JSON objects. As part of the DOE Systems Biology Knowledgebase project (KBase, http:// kbase.us) we have implemented a web services API for MG-RAST. This API complements the existing MG-RAST web interface and constitutes the basis of KBase’s microbial community capabilities. In addition, the API exposes a comprehensive collection of data to programmers. This API, which uses a RESTful (Representational State Transfer) implementation, is compatible with most programming environments and should be easy to use for end users and third parties. It provides comprehensive access to sequence data, quality control results, annotations, and many other data types. Where feasible, we have used standards to expose data and metadata. Code examples are provided in a number of languages both to show the versatility of the API and to provide a starting point for users. We present an API that exposes the data in MG-RAST for consumption by our users, greatly enhancing the utility of the MG-RAST service.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Building a Single Sign-On System for the Department of Homeland Security's Infrastructure Protection Gateway

The IP Gateway is an interface used by the Department of Homeland Security to collect and manage infrastructure information about communities across the nation. DHS currently depends on a third-party to manage the login system of the IP Gateway; however, in order to provide more consistent service to IP Gateway users, they contracted with INL to develop a new single sign-on system.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Myna

The additive manufacturing (AM) community has been developing digital factory tools over the past decade to better leverage the multi-modal process data coming out of the advanced manufacturing process. As a result, numerous databases of additive manufacturing process data exist in the literature and in the archival storage of disparate research groups. While some efforts have been made to create a standard ontology for storing and sharing AM data, in practice a variety of data structures are used to store AM build data, even within a single institution. This causes many problems for maintainability and extensibility when attempting to integrate computational modeling tools with experimental data to either validate models or to provide further insight into results and trends. Myna is a Python-based framework that aims to decrease the effort needed to connect individual computational models to the variety of AM process data that exist in different research groups and institutions. This type of software is sometimes referred to as "middleware" or “glueware,” in that it connects disparate databases and applications into a single computational ecosystem. Instead of maintaining unique interfaces between each application and each database, developers can create a single interface from each application to Myna and thereby gain access to the implemented database connections. Similarly, developing a database connection in Myna provides access to the developed simulation applications. This framework greatly simplifies the maintainability of model applications that rely on experimental data. Using external simulation tools, users will also be able to run pre-configured workflows using the built-in workflow manager. Several examples of input files are provided with Myna for different workflows, including melt pool geometry predictions and detailed melt pool and solidification microstructure predictions.

Knapp, GerryL. [Oak Ridge National Laboratory (ORN↗
DOE OSTI2019

Pneumatic System for the Neutron Generator Facility at SRNL

A neutron generator system equipped with a pneumatic sample transfer system, enables scientists to perform neutron activation analysis with increased efficiency and accuracy. The samples are placed in sealed containers called 'rabbits' and are passed through the system. Once sealed in the rabbit, the samples are loaded into the tubes via a hopper mechanism. The sample is launched into the generator with compressed air and captures neutrons, causing the sample to become radioactive. Next, the sample is sent to a detector, where the samples are counted for a set length of time on a Ge detector. Once the detection is completed, the sample is then sent to the trash. The system utilizes an interface to select which generator valve and detector location to send the sample too. This project is supports the future development of the neutron generator in the F wing of 773-A. A program is used to automate the passing of the rabbit through the system. The user is able to select the generator valve and detector to be utilized in the testing of the sample. Using the 'Add Rabbit' button the user can add as many sample rabbits to rabbit editor tab. Characteristics are then entered into the fields for each rabbit. The Pre-Det Cooldown and Post-Det Cooldown are intervals used to space out the time before the rabbit is sent into and out of the detector. After all characteristics are entered, the 'Submit to Hopper' button is selected thus preparing the program to run the rabbits in the inserted order. Small setup of the system using the available parts. Simulates the movement of the rabbit from the generator to the detector. Small valves are located before each manifold. To transport the rabbit from one side to the other, the valve of the sending side must be open and the receiving side must be closed. The manifold and valve in direct line with the compressor would extend to the hopper. Once the hopper is loaded, the valve would be open to send the rabbit to generator. Additional manifolds and other mechanical parts are necessary to complete the system design. To complete the construction of the system additional parts, such as the mechanical parts for the switching mechanism and the solenoid valves, are necessary. Further, to complete the automatization of the system, an Arduino is required to communicate with the valves and adjust the linear servos appropriately so that the rabbits are sent to the selected generator location and detector. This work is aimed to be completed in the next fiscal year.

42 ENGINEERING↗
DOE OSTI2016

PROTEUS-SN User Manual

PROTEUS-SN is a three-dimensional, highly scalable, high-fidelity neutron transport code developed at Argonne National Laboratory. The code is applicable to all spectrum reactor transport calculations, particularly those in which a high degree of fidelity is needed either to represent spatial detail or to resolve solution gradients. PROTEUS-SN solves the second order formulation of the transport equation using the continuous Galerkin finite element method in space, the discrete ordinates approximation in angle, and the multigroup approximation in energy. PROTEUS-SN’s parallel methodology permits the efficient decomposition of the problem by both space and angle, permitting large problems to run efficiently on hundreds of thousands of cores. PROTEUS-SN can also be used in serial or on smaller compute clusters (10’s to 100’s of cores) for smaller homogenized problems, although it is generally more computationally expensive than traditional homogenized methodology codes. PROTEUS-SN has been used to model partially homogenized systems, where regions of interest are represented explicitly and other regions are homogenized to reduce the problem size and required computational resources. PROTEUS-SN solves forward and adjoint eigenvalue problems and permits both neutron upscattering and downscattering. An adiabatic kinetics option has recently been included for performing simple time-dependent calculations in addition to standard steady state calculations. PROTEUS-SN handles void and reflective boundary conditions. Multigroup cross sections can be generated externally using the MC2-3 fast reactor multigroup cross section generation code or internally using the cross section application programming interface (API) which can treat the subgroup or resonance table libraries. PROTEUS-SN is written in Fortran 90 and also includes C preprocessor definitions. The code links against the PETSc, METIS, HDF5, and MPICH libraries. It optionally links against the MOAB library and is a part of the SHARP multi-physics suite for coupled multi-physics analysis of nuclear reactors. This user manual describes how to set up a neutron transport simulation with the PROTEUS-SN code. A companion methodology manual describes the theory and algorithms within PROTEUS-SN.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Advanced Test Reactor National Scientific User Facility (ATR NSUF) Monthly Report January 2015

Highlights: Mike Worley and Shane Johnson visited INL Jan. 22 for an NSUF strategy discussion; Rory Kennedy attended a NSLS-2 Beamline Advisory Team meeting at Brookhaven; Provided a final cost estimate to the NSUF Program Office in support of the NEET/NSUF proposal, “Metal-ceramic and metal-metal composites for extreme radiation and temperature environment: An in situ interface stability and mechanical behavior study by high energy x-ray diffraction with a synchrotron probe.”; Assisted in the development of conceptual designs and performed a preliminary thermal hydraulic analysis for two NEET/NSUF proposals. The challenge for both experiments is to provide high (>1000 C and up to 1600 C)) specimen temperatures in a small space (0.5" diameter ATR Outboard A-position) without overheating the coolant. Several designs were analyzed and found to be feasible, although detailed design and analysis will be required after the projects are awarded; and A single USU TEM specimen is packaged and awaiting shipment from MFC to CAES. Once at CAES, SEM, TEM and LEAP analysis will be performed. Professor Ban has requested additional sub-samples to be made to take back to his laboratory at USU for thermal diffusivity studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

HIPLZ: Enabling performance portability for exascale systems

While heterogeneous computing has emerged as a dominant trend in current and future High-Performance Computing (HPC) systems, it is also widely recognized that this shift has led to increased software complexity due to a proliferation of programming systems for different heterogeneous processors. One such example is the Heterogeneous-Compute Interface for Portability from AMD (HIP ), which is composed of a C Runtime API and C++ Kernel Language. Many HPC applications will likely use HIP on future exascale systems (e.g., Frontier and El Capitan), but HIP currently only targets AMD and NVIDIA processors. This limitation creates challenges for users who would also like to run their applications on exascale systems based on other architectures (e.g., Aurora, which is based on Intel hardware) that are currently not targeted by HIP . In this paper, we introduce the design and implementation of HIPLZ , a compiler and runtime system that uses the Intel Level Zero API to support HIP on Intel GPU architectures. We discuss the design of HIPLZ , derived from HIPCL (an implementation of HIP on top of OpenCL ), and portability issues that occur from using the Level Zero runtime as a backend. We evaluate our implementation by running several performance benchmarks and mini-apps written in HIP on Intel architectures using HIPLZ . Our results show that this approach provides competitive performance relative to Intel's OpenCL implementations on Intel Gen9 and UHD Graphics 770 GPUs, while providing good coverage of features needed by HPC applications. Overall, this approach is a promising demonstration of enabling performance portability for exascale systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

A knowledge brokerage approach for assessing the impacts of the setting up young farmers policy measure in Greece

This study explores Knowledge Brokerage (KB) aspects of an ex-post Impact Assessment (IA) for the Rural Development Programme (RDP) measure of setting up young farmers, under the Common Agricultural Policy (CAP), at the regional level in Northern Greece. The measure supports the entry of young farmers in agriculture by moving land from older to younger farmers. The aim of the study was to test a set of KB tools for improving the interaction between researchers and policy makers. Our analysis mainly focused on a suite of IA Support Modules to guide practitioners, and on a technical tool kit, a web-based contextualisation platform, to support the IA of the specific test case. Offering a structured approach towards IA, both the Support Modules and LIAISE-KIT allow framing the context, organisation, scheduling and method selection in the light of KB objectives. The evaluation of how IA Support Modules influence the Science Policy Interface (SPI), in the case of the ex-post assessment, demonstrated the high relevance of KB activities for facilitating the interaction between researchers and regional policy makers. The assessment bridges the gap between knowledge producers developing scientific output to be applied in a specific context, and knowledge users, who want clear messages regarding the policy challenges they face. Other conclusions include the need for specific guidelines and training for knowledge users, especially with regard to the use of tools. According to our findings, a consequent application of KB activities is a crucial pre-condition for successfully implementing IAs in future RDP measures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

BiGG Models: A platform for integrating, standardizing and sharing genome-scale models

In this study, genome-scale metabolic models are mathematically structured knowledge bases that can be used to predict metabolic pathway usage and growth phenotypes. Furthermore, they can generate and test hypotheses when integrated with experimental data. To maximize the value of these models, centralized repositories of high-quality models must be established, models must adhere to established standards and model components must be linked to relevant databases. Tools for model visualization further enhance their utility. To meet these needs, we present BiGG Models (http://bigg.ucsd.edu), a completely redesigned Biochemical, Genetic and Genomic knowledge base. BiGG Models contains more than 75 high-quality, manually-curated genome-scale metabolic models. On the website, users can browse, search and visualize models. BiGG Models connects genome-scale models to genome annotations and external databases. Reaction and metabolite identifiers have been standardized across models to conform to community standards and enable rapid comparison across models. Furthermore, BiGG Models provides a comprehensive application programming interface for accessing BiGG Models with modeling and analysis tools. As a resource for highly curated, standardized and accessible models of metabolism, BiGG Models will facilitate diverse systems biology studies and support knowledge-based analysis of diverse experimental data.

59 BASIC BIOLOGICAL SCIENCES↗