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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 757 records · Page 42

Final Report from The University of Texas at Austin for DEGAS: Dynamic Global Address Space programming environments

The Dynamic, Exascale Global Address Space programming environment (DEGAS) project will develop the next generation of programming models and runtime systems to meet the challenges of Exascale computing. Our approach is to provide an efficient and scalable programming model that can be adapted to application needs through the use of dynamic runtime features and domain-specific languages for computational kernels. We address the following technical challenges: Programmability: Rich set of programming constructs based on a Hierarchical Partitioned Global Address Space (HPGAS) model, demonstrated in UPC++. Scalability: Hierarchical locality control, lightweight communication (extended GASNet), and ef- ficient synchronization mechanisms (Phasers). Performance Portability: Just-in-time specialization (SEJITS) for generating hardware-specific code and scheduling libraries for domain-specific adaptive runtimes (Habanero). Energy Efficiency: Communication-optimal code generation to optimize energy efficiency by re- ducing data movement. Resilience: Containment Domains for flexible, domain-specific resilience, using state capture mechanisms and lightweight, asynchronous recovery mechanisms. Interoperability: Runtime and language interoperability with MPI and OpenMP to encourage broad adoption.

97 MATHEMATICS AND COMPUTING↗

Smart Ventilation for Advanced California Homes

This project investigated smart ventilation approaches to minimize energy use for providing indoor air quality (IAQ) in high performance new California homes. Evaluation criteria included annual ventilation-related energy, peak energy and time-of-use savings, and the indoor air quality relative to a minimally code-compliant ventilation system. The simulations used CONTAM’s air flow and contaminant transport model, combined with the EnergyPlus building loads model. House types representing the default California Energy Code compliance homes were investigated for four California climate zones, covering a wide range of climate types. Both single and multi-zone smart ventilation controls were investigated. Contaminant sources included contaminants emitted continuously and varying with time, temperature and relative humidity, episodic emissions from occupant activities and outdoor particles. Single-zone ventilation controls that varied ventilation depending on outdoor temperatures were able to consistently save half of ventilation-related energy without compromising long-term IAQ. Ventilation strategies that tracked occupancy were less successful, because this work included generic contaminants with constant background emission rates. Energy performance for occupancy controls improved with a one-hour pre-occupancy flush out strategy. The addition of zoning ventilation controls did not offer significant IAQ to energy improvements compared to non-zonal versions of the same ventilation system type. The best controls had HVAC energy savings of 10-20%, with individual cases reaching up to 40% savings. However, these savings cannot be achieved without worsening personal exposures for at least one contaminant. A metric is needed to assess the competing changes in exposure to different contaminants in order to determine the net-health impacts of a control strategy. Controls that directly sensed contaminants and controlled them to acceptable levels showed that the California OEHHA limit for formaldehyde completely dominates system performance, with homes not able to meet the limit even with continuous operation of a fan sized to twice the current code minimum.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Analog neutron transport for nuclear instrumentation applications with the Monte-Carlo code TRIPOLI-4 - Paper 3

Monte-Carlo codes simulating particle transport usually make use of well-known variance reduction techniques, leading to more efficient simulations. Even in configurations which do not deal with deep-penetration, some of these techniques, such as the implicit capture, are actually often used by default. The statistical weight of the simulated particles is then modified in order to take into account the modification of the sampling without introducing any bias in the estimation process. For instance, the implicit capture decreases the statistical weight of the particles at each collision, whereas the sampling of a single outgoing particle increases this statistical weight in case of scattering reactions producing multiple neutrons. In addition, Russian roulette and splitting operations, which are usually also played at each collision, lead to other modifications of the statistical weights. As a result, Monte-Carlo codes provide particle histories that are valid on average, but collect statistical weights which differ from 1, when tallying the estimation of the quantities of interest. Yet, some nuclear instrumentation calculations inherently need to work with statistical weights equal to 1, since either individual events have to be collected (such as the arrival of a particle at a detector, the measurement of a time of flight, etc), or the coincidence of events or also correlations between individual events have to be taken into account. To address these specific applications with Monte-Carlo simulation codes, users need a full analog simulation mode. The continuous-energy Monte-Carlo code TRIPOLI4{sup R} is mainly dedicated to shielding, reactor physics and criticality safety calculations. Its capabilities have recently been extended to widen its use to nuclear instrumentation with the possibility of γ-spectrometry calculations and the simulation of photonuclear reactions for instance. Other features needed by nuclear instrumentation applications have been available in TRIPOLI-4 for a long time, such as the sampling of the time variable and the possibility of tallying in a time grid for most of the available tallies (fluxes, reaction rates, dose equivalent rates, energy depositions, etc). In TRIPOLI-4, the transport between two consecutive collisions is analog if no variance reduction technique is requested by the user to handle deep-penetration configurations. However, up to the version 9 of the code, the collision itself is sampled in a non-analog way. This paper presents a first implementation of a full analog neutron transport mode in TRIPOLI-4, preliminary verification results and an application of this functionality to the simulation of the Nucifer detector located in Saclay, France. It should be noted that only neutron transport is dealt with in this work and that all nuclear data come from JEFF-3.1.1 or ENDF/B-VII.0 evaluations, including fission data when needed. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

MBMS1.0: An Open-Source Code for Modeling and Simulation of Membrane-Based Dehumidification and Energy Recovery

Membrane-based dehumidification is currently being considered as a promising solution for the building application due to its low cost and very limited energy consumption. Developing a simple and efficient open-source code simulation tool is important for boosting the optimization and evaluation of such device in HVAC community. This paper reports a first-order physics based model which accounts for the fundamental heat and mass transfer of humid-air vapor at feed side to flow stream at permeate side. The current model comprises two membrane mass transfer submodels (i.e. microstructure model and performance map model); and it adopts a segment-by-segment methodology for discretizing heat and mass transfer governing equations. The model is capable of simulating both dehumidifiers and energy recovery ventilators with parallel-flow cross-flow, and counter-flow configurations. The model was validated with the measurements at appropriate device. The practices in dehumidification and energy recovery exchangers are also discussed. The model and open-source codes are expected to become a solid fundament for developing a more comprehensive and accurate membrane-based dehumidification in the future.

Gao, Zhiming↗

MEAM interatomic force calculation subroutine for LAMMPS

Interatomic force and energy calculation subroutine tobe used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluates the total energy and atomic forces (energy gradient) according to cubic spine-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM).

Stukowski, A.↗

New Modeling Tool Analyzes Floating Platform Concepts for Offshore Wind Turbines (Fact Sheet)

Researchers at the National Renewable Energy Laboratory (NREL) developed a new complex modeling and analysis tool capable of analyzing floating platform concepts for offshore wind turbines. The new modeling tool combines the computational methodologies used to analyze land-based wind turbines with the comprehensive hydrodynamic computer programs developed for offshore oil and gas industries. This new coupled dynamic simulation tool will enable the development of cost-effective offshore technologies capable of harvesting the rich offshore wind resources at water depths that cannot be reached using the current technology.

17 WIND ENERGY↗

Disentangling the AGN and Star formation Contributions to the Radio–X-Ray Emission of Radio-loud Quasars at 1 < Z < 2

We constrain the emission mechanisms responsible for the prodigious electromagnetic output generated by active galactic nuclei (AGNs) and their host galaxies with a novel state-of-the-art AGN radio-to-X-ray spectral energy distribution model fitting code (ARXSED). ARXSED combines multiple components to fit the spectral energy distributions (SEDs) of AGNs and their host galaxies. Emission components include radio structures such as lobes and jets, infrared emission from the AGN torus, visible-to-X-ray emission from the accretion disk, and radio-to-ultraviolet emission from the host galaxy. Applying ARXSED to the radio SEDs of 20 3CRR quasars at 1 < z < 2 verifies the need for more than a simple power law when compact radio structures are present. The nonthermal emission contributes 91%–57% of the observed-frame 1.25 mm to 850 μm flux, and this component must be accounted for when using these wavelengths to estimate star formation properties. We predict the presence of strong radio-linked X-ray emission in more than half the sample sources. ARXSED estimates median (and the associated first and third quartile ranges) BH mass of ${2.9}_{1.7}^{6.0}\times {10}^{9}\,{M}_{\odot }$ , logarithm of Eddington ratio of $-{1.0}_{-1.2}^{-0.6}$ , and spin of ${0.98}_{0.94}^{0.99}$ for our sample. The inferred AGN torus and accretion disk parameters agree with those estimated from spectroscopic analyses of similar samples in the literature. We present the median intrinsic SED of the luminous radio-loud quasars at 1 < z ≲ 2; this SED represents a significant improvement in the way each component is modeled.

79 ASTRONOMY AND ASTROPHYSICS↗

MEAM interatomic force calculation subroutine for LAMMPS

Interatomic force and energy calculation subroutine tobe used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluates the total energy and atomic forces (energy gradient) according to cubic spine-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM).

Stukowski, A.↗

Making Energy Savings Easier: Usability Metrics for Thermostats

U.S. residential thermostats control approximately 9% of the nation’s energy use. Many building codes now require programmable thermostats (PTs) because of their assumed energy savings. However, several recent field studies have shown no significant savings or even higher energy use in households using PTs compared to those using non-PTs. These studies point to usability problems that lead to incorrect use and wasted energy. However, the lack of clear, consistent metrics has hampered the acceptance of usability concerns by thermostat manufacturers. Thus there is a need for metrics specific to PTs that manufacturers can use to evaluate their products. Here, we report on the results of a usability study conducted on five commercially available PTs and the development of four new metrics suitable for use in evaluating thermostat usability. Our study confirmed usability deficits in the current generation of PTs and showed the metrics are correlated with each other as well as agreeing with the qualitative results of the study.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy and Energy Cost Savings Analysis of the 2015 IECC for Commercial Buildings (Rev.1)

As required by statute (42 USC 6833), DOE recently issued a determination that ANSI/ASHRAE/IES Standard 90.1-2013 would achieve greater energy efficiency in buildings subject to the code compared to the 2010 edition of the standard. Pacific Northwest National Laboratory (PNNL) conducted an energy savings analysis for Standard 90.1-2013 in support of its determination. While Standard 90.1 is the model energy standard for commercial and multi-family residential buildings over three floors (42 USC 6833), many states have historically adopted the International Energy Conservation Code (IECC) for both residential and commercial buildings. This report provides an assessment as to whether buildings constructed to the commercial energy efficiency provisions of the 2015 IECC would save energy and energy costs as compared to the 2012 IECC. PNNL also compared the energy performance of the 2015 IECC with the corresponding Standard 90.1-2013. The goal of this analysis is to help states and local jurisdictions make informed decisions regarding model code adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Two-Step Procedure for Liquid-Salt-Cooled-Reactor Analysis

Here, this paper presents the development of a lattice physics–to–core simulator two-step procedure for the rapid analysis of the Advanced High Temperature Reactor (AHTR). Lattice physics, reflector, and control blade models were developed from which cross-section libraries could be generated for a nodal core simulator. Few-group structures for the core simulator were also generated to account for the neutronic characteristics of AHTR. After developing the AHTR two-step procedure, cross-section libraries were generated using the SERPENT continuous-energy Monte Carlo code. These libraries were then used in the core simulator NESTLE to perform full-core calculations, which were in turn benchmarked against reference SERPENT full-core models. Benchmarking results showed reasonable accuracy of the developed two-step procedure but revealed an inherent inadequacy in the one-dimensional radial reflector model and showed a likely need for a greater number of energy groups than were used in this study.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NRC Multiphysics Analysis Capability Deployment FY2020 - Part 4

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Sup- port for Advanced Non-Light Water Reactors.” The tasks completed for this report are: • Task 3a: This task demonstrates the effectiveness of Griffin’s methods for interpolating cross sections and SPH correction factors as a function of control drum rotation. The Monte Carlo code Serpent is used to generate reference results. The accuracy of Griffin-calculated eigenvalues and reaction rates are studied as a function of control drum rotation for cross section and SPH factor libraries of varying fidelity. Higher-fidelity libraries require less interpolation and are therefore inherently more accurate; however, they require more computational resources to create. Overall, Griffin is able to accurately model eigenvalue and reaction rates over the full range of drum rotation using a library generated from three to five discrete drum rotations for a particular microreactor design. • Task 3c: This preliminary task successfully demonstrates the performance of a coupled neutron-photon transport calculation with Griffin using the spherical harmonics approximation. The Griffin solutions are compared to reference solutions from the continuous energy Monte Carlo codes MCNP and Serpent. Furthermore, this work also demonstrates how to prepare the neutron and photon libraries using NJOY, MCNP, and Serpent with the latest ENDF/B-VIII data for 235 U and graphite. The Griffin total energy deposition in the active core region is calculated within 0.3% of the reference, but it degrades in the reflector regions with a maximum difference of -1.5%. Overall, the results look promising and future analysis should use an improved data stream and focus on determining the potential cancellation of error within each energy group.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ExaWind: A multifidelity modeling and simulation environment for wind energy

We introduce the open-source ExaWind modeling and simulation environment for wind energy. The primary physics codes of ExaWind are Nalu-Wind and OpenFAST. Nalu-Wind is a wind-focused computational fluid dynamics (CFD) code that is coupled to the whole-turbine simulation code OpenFAST. The ExaWind environment was created under U.S. Department of Energy funding to achieve the highest-fidelity simulations of wind turbines and wind farms to date, with the goal of enabling disruptive changes to turbine and plant design and operation. Innovation will be gleaned through better understanding of the complex flow dynamics in wind farms, including wake evolution and the impact of wakes on downstream turbines and turbulent flow from complex terrain. High-fidelity predictive simulations employ hybrid turbulence models, geometry/boundary-layer-resolving CFD meshes, atmospheric turbulence, nonlinear structural dynamics, and fluid-structure interaction. While there is an emphasis on very high-fidelity simulations (e.g., blade resolved with full fluid-structure coupling), the ExaWind environment supports lower-fidelity modeling capabilities including actuator-line and -disk methods. Important in the development of ExaWind codes is that the codes scale well on today's largest petascale supercomputers and on the next-generation platforms that will enable exascale computing.

17 WIND ENERGY↗

Comparison of four large-eddy simulation research codes and effects of model coefficient and inflow turbulence in actuator-line-based wind turbine modeling

Here, large-eddy simulation (LES) of a wind turbine under uniform inflow is performed using an actuator line model (ALM). Predictions from four LES research codes from the wind energy community are compared. The implementation of the ALM in all codes is similar and quantities along the blades are shown to match closely for all codes. The value of the Smagorinsky coefficient in the subgrid-scale turbulence model is shown to have a negligible effect on the time-averaged loads along the blades. Conversely, the breakdown location of the wake is strongly dependent on the Smagorinsky coefficient in uniform laminar inflow. Simulations are also performed using uniform mean velocity inflow with added homogeneous isotropic turbulence from a public database. The time-averaged loads along the blade do not depend on the inflow turbulence. Moreover, and in contrast to the uniform inflow cases, the Smagorinsky coefficient has a negligible effect on the wake profiles. It is concluded that for LES of wind turbines and wind farms using ALM, careful implementation and extensive cross-verification among codes can result in highly reproducible predictions. Moreover, the characteristics of the inflow turbulence appear to be more important than the details of the subgrid-scale modeling employed in the wake, at least for LES of wind energy applications at the resolutions tested in this work.

17 WIND ENERGY↗

Fragment-mass distributions in neutron-induced fission of {sup 232}Th and {sup 238}U at 33, 45, and 60 MeV

We have measured fission fragment-mass yields for neutron-induced fission of {sup 232}Th and {sup 238}U at energies 32.8, 45.3, and 59.9 MeV. The experiments were done at quasimonoenergetic neutron beams of the Cyclotron Research Center at Louvain-la-Neuve. To detect the fission fragments, a multisection Frisch-gridded ionization chamber was used. The measurement and data analysis techniques are discussed in detail. The obtained mass yields are compared to model calculations with the intermediate-energy nuclear reaction code MCFX. The MCFX code is used to calculate the fraction of fissioning nuclei after cascade, preequilibrium, and statistical reaction stages. The formation of mass distributions is considered as a result of oscillations of the mass-asymmetry degree of freedom in the potential well calculated with the temperature-dependent shell correction method. The experimental results as well as the results of the model calculations demonstrate that the probability of symmetric fission increases with incident neutron energy for both nuclei. The comparison also shows that the symmetric fission is more enhanced for thorium than for uranium with increasing neutron energy. We also compare {sup 238}U results with available experimental data; the {sup 232}Th data were measured for the first time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A PUBLIC K{sub s} -SELECTED CATALOG IN THE COSMOS/ULTRAVISTA FIELD: PHOTOMETRY, PHOTOMETRIC REDSHIFTS, AND STELLAR POPULATION PARAMETERS {sup ,}

We present a catalog covering 1.62 deg{sup 2} of the COSMOS/UltraVISTA field with point-spread function (PSF) matched photometry in 30 photometric bands. The catalog covers the wavelength range 0.15-24 {mu}m including the available GALEX, Subaru, Canada-France-Hawaii Telescope, VISTA, and Spitzer data. Catalog sources have been selected from the DR1 UltraVISTA K{sub s} band imaging that reaches a depth of K {sub s,tot} = 23.4 AB (90% completeness). The PSF-matched catalog is generated using position-dependent PSFs ensuring accurate colors across the entire field. Also included is a catalog of photometric redshifts (z {sub phot}) for all galaxies computed with the EAZY code. Comparison with spectroscopy from the zCOSMOS 10k bright sample shows that up to z {approx} 1.5 the z {sub phot} are accurate to {Delta}z/(1 + z) = 0.013, with a catastrophic outlier fraction of only 1.6%. The z {sub phot} also show good agreement with the z {sub phot} from the NEWFIRM Medium Band Survey out to z {approx} 3. A catalog of stellar masses and stellar population parameters for galaxies determined using the FAST spectral energy distribution fitting code is provided for all galaxies. Also included are rest-frame U - V and V - J colors, L {sub 2800} and L {sub IR}. The UVJ color-color diagram confirms that the galaxy bi-modality is well-established out to z {approx} 2. Star-forming galaxies also obey a star-forming 'main sequence' out to z {approx} 2.5, and this sequence evolves in a manner consistent with previous measurements. The COSMOS/UltraVISTA K{sub s} -selected catalog covers a unique parameter space in both depth, area, and multi-wavelength coverage and promises to be a useful tool for studying the growth of the galaxy population out to z {approx} 3-4.

79 ASTRONOMY AND ASTROPHYSICS↗

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

This report describes the progress in fiscal year 2010 in developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with robust verification, validation, and software quality requirements. Waste IPSC activities in fiscal year 2010 focused on specifying a challenge problem to demonstrate proof of concept, developing a verification and validation plan, and performing an initial gap analyses to identify candidate codes and tools to support the development and integration of the Waste IPSC. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. This year-end progress report documents the FY10 status of acquisition, development, and integration of thermal-hydrologic-chemical-mechanical (THCM) code capabilities, frameworks, and enabling tools and infrastructure.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nuclear Energy Advanced Modeling and Simulation (NEAMS) waste Integrated Performance and Safety Codes (IPSC) : gap analysis for high fidelity and performance assessment code development.

This report describes a gap analysis performed in the process of developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with rigorous verification, validation, and software quality requirements. The gap analyses documented in this report were are performed during an initial gap analysis to identify candidate codes and tools to support the development and integration of the Waste IPSC, and during follow-on activities that delved into more detailed assessments of the various codes that were acquired, studied, and tested. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. The gap analysis indicates that significant capabilities may already exist in the existing THC codes although there is no single code able to fully account for all physical and chemical processes involved in a waste disposal system. Large gaps exist in modeling chemical processes and their couplings with other processes. The coupling of chemical processes with flow transport and mechanical deformation remains challenging. The data for extreme environments (e.g., for elevated temperature and high ionic strength media) that are needed for repository modeling are severely lacking. In addition, most of existing reactive transport codes were developed for non-radioactive contaminants, and they need to be adapted to account for radionuclide decay and in-growth. The accessibility to the source codes is generally limited. Because the problems of interest for the Waste IPSC are likely to result in relatively large computational models, a compact memory-usage footprint and a fast/robust solution procedure will be needed. A robust massively parallel processing (MPP) capability will also be required to provide reasonable turnaround times on the analyses that will be performed with the code. A performance assessment (PA) calculation for a waste disposal system generally requires a large number (hundreds to thousands) of model simulations to quantify the effect of model parameter uncertainties on the predicted repository performance. A set of codes for a PA calculation must be sufficiently robust and fast in terms of code execution. A PA system as a whole must be able to provide multiple alternative models for a specific set of physical/chemical processes, so that the users can choose various levels of modeling complexity based on their modeling needs. This requires PA codes, preferably, to be highly modularized. Most of the existing codes have difficulties meeting these requirements. Based on the gap analysis results, we have made the following recommendations for the code selection and code development for the NEAMS waste IPSC: (1) build fully coupled high-fidelity THCMBR codes using the existing SIERRA codes (e.g., ARIA and ADAGIO) and platform, (2) use DAKOTA to build an enhanced performance assessment system (EPAS), and build a modular code architecture and key code modules for performance assessments. The key chemical calculation modules will be built by expanding the existing CANTERA capabilities as well as by extracting useful components from other existing codes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗