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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Towards excitations and dynamical quantities in correlated lattices with density matrix embedding theory

Density matrix embedding theory (DMET) provides a framework to describe ground-state expectation values in strongly correlated systems, but its extension to dynamical quantities is still an open problem. We show one route to obtaining excitations and dynamical spectral functions by using the techniques of DMET to approximate the matrix elements that arise in a single-mode inspired excitation ansatz. We demonstrate this approach in the one-dimensional Hubbard model, comparing the neutral excitations, single-particle density of states, charge, and spin dynamical structure factors to benchmarks from the Bethe ansatz and density matrix renormalization group. Finally, our work highlights the potential of these ideas in building computationally efficient approaches for dynamical quantities.

1-dimensional systems↗
DOE OSTI2023

CatMass : software for calculating optimal sample masses for X-ray absorption spectroscopy experiments involving complex sample compositions

This paper presents software for calculating the optimal mass of samples with complex compositions ( e.g. supported metal catalysts) for X-ray absorption spectroscopy (XAS) and scattering measurements. The ability to calculate the sample mass and other relevant parameters needed for an XAS measurement allows experimentalists to be better prepared in terms of detector selection, energy range of scan and overall time needed to complete the measurement, thus increasing efficiency. CatMass builds on existing sample mass calculators allowing users to determine the optimum sample preparation, collection geometry, usable energy range for a scan and approximate edge step of the absorption event. Visualization tools present the absorption calculation results in a format familiar to XAS experimentalists, with the added ability to save calculations and plots for future reference or recalculation. CatMass is a program broadly applicable in catalysis and is helpful for users with complex samples due to composition/stoichiometry or multiple competing elements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

REVEAL: An Extensible Reduced Order Model Builder for Simulation and Modeling

Many science domains need to build computationally efficient and accurate representations of high fidelity, computationally expensive simulations. These computationally efficient versions are known as reduced-order models. This paper presents the design and implementation of a novel reduced-order model (ROM) builder, the REVEAL toolset. This toolset generates ROMs based on science- and engineering-domain specific simulations executed on high performance computing (HPC) platforms. The toolset encompasses a range of sampling and regression methods that can be used to generate a ROM, automatically quantifies the ROM accuracy, and provides support for an iterative approach to improve ROM accuracy. REVEAL is designed to be extensible in order to utilize the core functionality with any simulator that has published input and output formats. It also defines programmatic interfaces to include new sampling and regression techniques so that users can ‘mix and match’ mathematical techniques to best suit the characteristics of their model. In this paper, we describe the architecture of REVEAL and demonstrate its usage with a computational fluid dynamics model used in carbon capture.

Surrogate model, reduced order model, sensitivity ↗
DOE OSTI2018

Integrated Multi-Scale Data Analytics and Machine Learning for the Distribution Grid

We consider the field of machine learning and where it is both useful, and not useful, for the distribution grid and buildings interface. While analytics, in general, is a growing field of interest, and often seen as the golden goose in the burgeoning distribution grid industry, its application is often limited by communications infrastructure, or lack of a focused technical application. Overall, the linkage of analytics to purposeful application in the grid space has been limited. In this paper we consider the field of machine learning as a subset of analytical techniques, and discuss its ability and limitations to enable the future distribution grid. To that end, we also consider the potential for mixing distributed and centralized analytics and the pros and cons of these approaches. There is an exponentially expanding volume of measured data being generated on the distribution grid, which, with appropriate application of analytics, may be transformed into intelligible, actionable information that can be provided to the right actors - such as grid and building operators, at the appropriate time to enhance grid or building resilience, efficiency, and operations against various metrics or goals - such as total carbon reduction or other economic benefit to customers. While some basic analysis into these data streams can provide a wealth of information, computational and human boundaries on performing the analysis are becoming significant, with more data and multi-objective concerns. Efficient applications of analysis and the machine learning field are being considered in the loop. This paper describes benefits and limits of present machine-learning applications for use on the grid and presents a series of case studies that illustrate the potential benefits of developing advanced local multi-variate analytics machine-learning-based applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Effects of experimental nitrogen deposition on soil organic carbon storage in Southern California drylands

Atmospheric nitrogen (N) deposition is enriching soils with N across biomes. Soil N enrichment can increase plant productivity and affect microbial activity, thereby increasing soil organic carbon (SOC), but such responses vary across biomes. Drylands cover ~45% of Earth's land area and store ~33% of global SOC contained in the top 1 m of soil. Nitrogen fertilization could, therefore, disproportionately impact carbon (C) cycling, yet whether dryland SOC storage increases with N remains unclear. To understand how N enrichment may change SOC storage, we separated SOC into plant–derived, particulate organic C (POC), and largely microbially derived, mineral–associated organic C (MAOC) at four N deposition experimental sites in Southern California. Theory suggests that N enrichment increases the efficiency by which microbes build MAOC (C stabilization efficiency) if soil pH stays constant. But if soils acidify, a common response to N enrichment, then microbial biomass and enzymatic organic matter decay may decrease, increasing POC but not MAOC. We found that N enrichment had no effect on C fractions except for a decrease in MAOC at one site. Specifically, despite reported increases in plant biomass in three sites and decreases in microbial biomass and extracellular enzyme activities in two sites that acidified, POC did not increase. Furthermore, microbial C use and stabilization efficiency increased in a non–acidified site, but without increasing MAOC. Instead, MAOC decreased by 16% at one of the sites that acidified, likely because it lost 47% of the exchangeable calcium (Ca) relative to controls. Indeed, MAOC was strongly and positively affected by Ca, which directly and, through its positive effect on microbial biomass, explained 58% of variation in MAOC. Finally, long–term effects of N fertilization on dryland SOC storage appear abiotic in nature, such that drylands where Ca–stabilization of SOC is prevalent and soils acidify, are most at risk for significant C loss.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Comparative Life Cycle Assessment of Injection Molded and Big Area Additive Manufactured NdFeB Bonded Permanent Magnets

Permanent magnets are expected to play a crucial role in the realization of the clean economy. In particular, the neodymium-iron-boron (Nd2Fe14B or NdFeB) magnets, which have the highest energy density among rare earth permanent magnets, are needed for building more efficient windmill generators, electric vehicle motors, etc. Currently, near-net shape magnets can be either made through sintering and compression molding with extensive post machining or directly through injection molding. However, injection molding has a loading volume fraction limitation of 0.65 for nylon binders. A novel method of manufacturing bonded permanent magnets with loading fraction greater than 0.65 has been demonstrated using Big Area Additive Manufacturing (BAAM) printers. As energy density is directly proportional to the square of the magnet loading fraction, magnets produced using BAAM printers require less volume and magnetic material compared to that of injection molded magnets on average. A comparative LCA shows that this difference in magnetic powder consumption nearly constitutes the difference in the environmental impact categories. Even after assuming recycled magnetic input, the BAAM magnets perform better environmentally than injection molded magnets, especially in the ozone depletion category. Since BAAM printers can accommodate even higher loading fractions, at scale, BAAM printers possibly can bring about a significant decrease in rare earth mineral consumption and environmental emissions. So furthermore, single screw extrusion enables BAAM printers to have high print speeds and allow them to be economically competitive against injection molding. Therefore, BAAM printed magnets show promise in transitioning towards the clean economy.

36 MATERIALS SCIENCE↗
DOE OSTI2015

SU-D-213-03: Towards An Optimized 3D Scintillation Dosimetry Tool for Quality Assurance of Dynamic Radiotherapy Techniques

Purpose: The purpose of this work is to simulate a multi-focus plenoptic camera used as the measuring device in a real-time three-dimensional scintillation dosimeter. Simulating and optimizing this realistic optical system will bridge the technological gap between concept validation and a clinically viable tool that can provide highly efficient, accurate and precise measurements for dynamic radiotherapy techniques. Methods: The experimental prototype, previously developed for proof of concept purposes, uses an off-the-shelf multi-focus plenoptic camera. With an array of interleaved microlenses of different focal lengths, this camera records spatial and angular information of light emitted by a plastic scintillator volume. The three distinct microlens focal lengths were determined experimentally for use as baseline parameters by measuring image-to-object magnification for different distances in object space. A simulated plenoptic system was implemented using the non-sequential ray tracing software Zemax: this tool allows complete simulation of multiple optical paths by modeling interactions at interfaces such as scatter, diffraction, reflection and refraction. The active sensor was modeled based on the camera manufacturer specifications by a 2048×2048, 5 µm-pixel pitch sensor. Planar light sources, simulating the plastic scintillator volume, were employed for ray tracing simulations. Results: The microlens focal lengths were determined to be 384, 327 and 290 µm. A realistic multi-focus plenoptic system, with independently defined and optimizable specifications, was fully simulated. A f/2.9 and 54 mm-focal length Double Gauss objective was modeled as the system’s main lens. A three-focal length hexagonal microlens array of 250-µm thickness was designed, acting as an image-relay system between the main lens and sensor. Conclusion: Simulation of a fully modeled multi-focus plenoptic camera enables the decoupled optimization of the main lens and microlens specifications. This work leads the way to improving the 3D dosimeter’s achievable resolution, efficiency and build for providing a quality assurance tool fully meeting clinical needs. M.R. is financially supported by a Master’s Canada Graduate Scholarship from the NSERC. This research is also supported by the NSERC Industrial Research Chair in Optical Design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Dataset: Occupancy Detection, Tracking, and Estimation Using a Vertically Mounted Depth Sensor

Occupancy detection, tracking, and estimation has a wide range of applications including improving building energy efficiency, safety, and security of the occupants. As depth sensors are getting cheaper, they offer a viable solution to estimate occupancy accurately in a non-privacy invasive manner. Even though there are publicly available depth datasets, they do not consider placing the sensor in the ceiling looking downwards to estimate occupancy. We deployed four Kinect for XBOX One in four CMU classrooms and conference rooms for a period of four weeks in 2017 and collected over 6 TB of depth data. We annotate this huge dataset by labelling bounding boxes around occupants and release the annotated dataset.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Verilator Testbench Environment (VTE) v0.1

VTE is a library that allows fast and simple generation of C++ testers for modules written in Chisel and build an efficient interface to existing C++ based simulators. It contains Scala-based interface and C++ testbench class. Scala interface interacts with Firtl Interpreter and generates a basic set of C++ testbench files. These files contain the list of the Device Under Test (DUT) input-output ports as well as their parameters. C++ testbench provides functionalities similar to the Chisel PeekPokeTester, such as poke, expect, step functions. As a backend it uses Verilator.

Fatollahi-Fard, Farzad↗
DOE OSTI2020

OpenStudio-Variability-Gem v1.0

This gem contains methods to introduce variability to extend core OpenStudio SDK. The term "variability" refers to changes in building systems efficiency, operation, or controls, which are non-routine events.

Li, Han↗
DOE OSTI2021

Building Performance Database API (BPD API) v2.1

The Building Performance Database (BPD) is the largest publicly-available source of measured energy performance data for buildings in the United States. It contains information about the building's energy use, location, and physical and operational characteristics. The BPD can be used by building owners, operators, architects and engineers to compare a building's energy efficiency against customized peer groups, identify energy efficiency opportunities, and set energy efficiency targets. It can also be used by energy efficiency program implementers and policymakers to analyze energy efficiency features and trends in the building stock. The BPD compiles data from various data sources, converts it into a standard format, cleanses and quality checks the data, and provides users with access to the data in a way that maintains anonymity for data providers. This software is the database and the Application Programming Interface (API). Users can utilize the BPD's data to develop their own applications using the API. Version 2.1 included a major update for multiple years of data and refactoring of code for faster queries.

Mathew, Paul↗
DOE OSTI2021

Exascale models of stellar explosions: Quintessential multi-physics simulation

The ExaStar project aims to deliver an efficient, versatile, and portable software ecosystem for multi-physics astrophysics simulations run on exascale machines. The code suite is a component-based multi-physics toolkit, built on the capabilities of current simulation codes (in particular Flash-X and Castro), and based on the massively parallel adaptive mesh refinement framework AMReX. It includes modules for hydrodynamics, advanced radiation transport, thermonuclear kinetics, and nuclear microphysics. The code will reach exascale efficiency by building upon current multi- and many-core packages integrated into an orchestration system that uses a combination of configuration tools, code translators, and a domain-specific asynchronous runtime to manage performance across a range of platform architectures. The target science includes multi-physics simulations of astrophysical explosions (such as supernovae and neutron star mergers) to understand the cosmic origin of the elements and the fundamental physics of matter and neutrinos under extreme conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Advancement of DOE's EnergyPlus Building Energy Simulation Payment

EnergyPlus{sup TM} is a new generation computer software analysis tool that has been developed, tested, and commercialized to support DOE's Building Technologies (BT) Program in terms of whole-building, component, and systems R&D (http://www.energyplus.gov). It is also being used to support evaluation and decision making of zero energy building (ZEB) energy efficiency and supply technologies during new building design and existing building retrofits. The 5-year project was managed by the National Energy Technology Laboratory and was divided into 5 budget period between 2006 and 2011. During the project period, 11 versions of EnergyPlus were released. This report summarizes work performed by an EnergyPlus development team led by the University of Central Florida's Florida Solar Energy Center (UCF/FSEC). The team members consist of DHL Consulting, C. O. Pedersen Associates, University of Illinois at Urbana-Champaign, Oklahoma State University, GARD Analytics, Inc., and WrightSoft Corporation. The project tasks involved new feature development, testing and validation, user support and training, and general EnergyPlus support. The team developed 146 new features during the 5-year period to advance the EnergyPlus capabilities. Annual contributions of new features are 7 in budget period 1, 19 in period 2, 36 in period 3, 41 in period 4, and 43 in period 5, respectively. The testing and validation task focused on running test suite and publishing report, developing new IEA test suite cases, testing and validating new source code, addressing change requests, and creating and testing installation package. The user support and training task provided support for users and interface developers, and organized and taught workshops. The general support task involved upgrading StarTeam (team sharing) software and updating existing utility software. The project met the DOE objectives and completed all tasks successfully. Although the EnergyPlus software was enhanced significantly under this project, more enhancements are needed for further improvement to ensure that EnergyPlus is able to simulate the latest technologies and perform desired HAVC system operations for the development of next generation HVAC systems. Additional development will be performed under a new 5-year project managed by the National Renewable Energy Laboratory.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Guam Strategic Energy Plan

Describes various energy strategies available to Guam to meet the territory's goal of diversifying fuel sources and reducing fossil energy consumption 20% by 2020. The information presented in this strategic energy plan will be used by the Guam Energy Task Force to develop an energy action plan. Available energy strategies include policy changes, education and outreach, reducing energy consumption at federal facilities, and expanding the use of a range of energy technologies, including buildings energy efficiency and conservation, renewable electricity production, and alternative transportation. The strategies are categorized based on the time required to implement them.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2013

Commonwealth of the Northern Mariana Islands Strategic Energy Plan

Describes various energy strategies available to CNMI to meet the territory's goal of diversifying fuel sources and reducing fossil energy consumption. The information presented in this strategic energy plan will be used by the CNMI Governor's Energy Task Force to develop an energy action plan. Available energy strategies include policy changes, education and outreach, and expanding the use of a range of energy technologies, including renewable electricity production and buildings energy efficiency and conservation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

LDRD HPC4Energy Wrapup Report - LDRD 12-ERD-074

High-performance computing and simulation has the potential to optimize production, distribution, and conversion of energy. Although a number of concepts have been discussed, a comprehensive research project to establish and quantify the effectiveness of computing and simulation at scale to core energy problems has not been conducted. We propose to perform the basic research to adapt existing high-performance computing tools and simulation approaches to two selected classes of problems common across the energy sector. The first, applying uncertainty quantification and contingency analysis techniques to energy optimization, allows us to assess the effectiveness of LLNL core competencies to problems such as grid optimization and building-system efficiency. The second, applying adaptive meshing and numerical analysis techniques to physical problems at fine scale, could allow immediate impacts in key areas such as efficient combustion and fracture and spallation. By creating an integrated project team with the necessary expertise, we can efficiently address these issues, delivering both near-term results as well as quantifying developments needed to address future energy challenges.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Matrix Algebra for GPU and Multicore Architectures (MAGMA) for Large Petascale Systems

The goal of the MAGMA project is to create a new generation of linear algebra libraries that achieve the fastest possible time to an accurate solution on hybrid Multicore+GPU-based systems, using all the processing power that future high-end systems can make available within given energy constraints. Our efforts at the University of Tennessee achieved the goals set in all of the five areas identified in the proposal: 1. Communication optimal algorithms; 2. Autotuning for GPU and hybrid processors; 3. Scheduling and memory management techniques for heterogeneity and scale; 4. Fault tolerance and robustness for large scale systems; 5. Building energy efficiency into software foundations. The University of Tennessee’s main contributions, as proposed, were the research and software development of new algorithms for hybrid multi/many-core CPUs and GPUs, as related to two-sided factorizations and complete eigenproblem solvers, hybrid BLAS, and energy efficiency for dense, as well as sparse, operations. Furthermore, as proposed, we investigated and experimented with various techniques targeting the five main areas outlined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Aspinall Courthouse: GSA's Historic Preservation and Net-Zero Renovation Case Study

The federal government is mandated with improving efficiency of buildings, incorporating renewable energy, and achieving net-zero energy operations where possible. These challenges led GSA to consider aligning historic preservation renovations with net-zero energy goals. The Wayne N. Aspinall Federal Building and U.S. Courthouse (Aspinall Courthouse), in Grand Junction, Colorado, is an example of a renovation project that aimed to accomplish both historic preservation and net-zero energy goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗