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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Analytic study of the effect of dark energy-dark matter interaction on the growth of structures

Large-scale structure has been shown as a promising cosmic probe for distinguishing and constraining dark energy models. Using the growth index parametrization, we obtain an analytic formula for the growth rate of structures in a coupled dark energy model in which the exchange of energy-momentum is proportional to the dark energy density. We find that the evolution of f σ{sub 8} can be determined analytically once we know the coupling, the dark energy equation of state, the present value of the dark energy density parameter and the current mean amplitude of dark matter fluctuations. After correcting the growth function for the correspondence with the velocity field through the continuity equation in the interacting model, we use our analytic result to compare the model's predictions with large-scale structure observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Model-Based Energy and Cost Analysis of Direct Air Capture Using ePTFE-Based Laminate-Structured Gas–Solid Contactors

Carbon dioxide removal (CDR) technologies will play a significant role in limiting global warming if implemented on a large scale. Direct air capture (DAC) is a scalable approach for removing atmospheric carbon, yet the true scope of its scalability remains unclear due to the early stage of technology development and high first plant costs. This study provides groundwork for understanding the technoeconomic trade-offs in developing DAC systems using laminate-structured gas–solid contactors, encompassing the analysis of both contactor and process design spaces. The robust mass transfer and process models outlined in this study provide tools for evaluating DAC processes and designing DAC plants based on cost and energy analysis. First, the key contactor geometrical parameters are identified to understand the CO 2 productivity–energy demand trade-offs, where geometries yielding higher mass transfer rates can achieve higher CO 2 productivities at the expense of energy consumption by fans and steam use. Next, a detailed process parametric study is conducted for DAC systems coupled with steam-assisted temperature-vacuum swing adsorption (S-TVSA) to visualize the trade-offs in the multidimensional design space. The main cost driver dramatically changes over different process conditions, but the operating cost prevailed on the Pareto front, with potential to operate as low as 150 $/tonne-CO 2 (within the cost range of 148–504 $/tonne-CO 2 in this study where the DAC system is coupled with industrial facilities for steam production).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Atmospheric Energy Deposition Modeling and Inference for Varied Meteoroid Structures

Asteroids populations are highly diverse, ranging from coherent monoliths to loosely-bound rubble piles with a broad range of material and compositional properties. These different structures and properties could significantly affect how an asteroid breaks up and deposits energy in the atmosphere, and how much ground damage may occur from resulting blast waves. We have previously developed a fragment-cloud model (FCM) for assessing the atmospheric breakup and energy deposition of asteroids striking Earth. The approach represents ranges of breakup characteristics by combining progressive fragmentation with releases of variable fractions of debris and larger discrete fragments. In this work, we have extended the FCM to also represent asteroids with varied initial structures, such as rubble piles or fractured bodies. We have used the extended FCM to model the Chelyabinsk, Benesov, Kosice, and Tagish Lake meteors, and have obtained excellent matches to energy deposition profiles derived from their light curves. These matches provide validation for the FCM approach, help guide further model refinements, and enable inferences about pre-entry structure and breakup behavior. Results highlight differences in the amount of small debris vs. discrete fragments in matching the various flare characteristics of each meteor. The Chelyabinsk flares were best represented using relatively high debris fractions, while Kosice and Benesov cases were more notably driven by their discrete fragmentation characteristics, perhaps indicating more cohesive initial structures. Tagish Lake exhibited a combination of these characteristics, with lower-debris fragmentation at high altitudes followed by sudden disintegration into small debris in the lower flares. Results from all cases also suggest that lower ablation coefficients and debris spread rates may be more appropriate for the way in which debris clouds are represented in FCM, offering an avenue for future model refinement.

Deposition↗
DOE OSTI2018

High-Efficiency Housing at the Fort Peck Indian Reservation: Opportunities and Lessons Learned

This project was initiated to provide design assistance in an effort to maximize energy performance for affordable housing at the Fort Peck Indian Reservation near Poplar, Montana. The Make It Right Foundation (MIRF) built 20 high performing homes (LEED Platinum) in 2015 and 2016 with three (3) different design options. NREL and EPA set out to provide energy analysis along with measurement and verification (M and V) of the homes to characterize energy use and provide clarity for future decision making with regard to tribal housing options. The results included herein summarize the energy end uses and documents projected energy impacts from various aspects of the MIRF home designs and construction. This report includes an analysis of energy use in 5 MIRF homes, comparing energy use across the different styles and configurations. Energy models were created for the 2 styles of MIRF homes, including renewable energy assessment for photovoltaic (PV) systems. Existing tribal housing has also been analyzed, with 5 housing units being analyzed for energy use and an energy model being created for 1 housing unit. The findings of this study highlight many of the challenges that arise when attempting to construct high performance housing in a region where such construction practices are still relatively rare. Homes in Poplar are well designed and, for the most part, and include climate specific design considerations appropriate for northeastern Montana. The most significant issues identified in MIRF homes were related to the work done to put the homes on the foundation, insulate the crawlspaces, and do final connection with the utilities. The Taxed II Credit homes are well designed and well suited to northeastern Montana, and with slight modifications to the design and construction could be very efficient. All occupant comfort and energy usage issues that were identified during the site visits can be remedied through retrofit measures that are relatively inexpensive. Energy efficiency opportunities were found that can be implemented in each of the homes. These retrofits are generally inexpensive and have a quick return on investment. While the MIRF houses as well as the Taxed II Credit homes can achieve high levels of energy performance with modest retrofits. Similar houses built in the future could achieve even better performance with minor design changes, and generally low incremental cost. Renewable energy systems are economically feasible in this area, but the payback is on the high side of what would likely be acceptable to homeowners. If the price of solar comes down to $2/watt installed, the systems will achieve a simple payback of 13 years, which is likely a return on investment that is attractive to homeowners. If the homes are made sufficiently tight to be high performance, energy recovery ventilators will be necessary to maintain acceptable indoor air quality. The Taxed II Credit homes are already equipped with heat recovery ventilators (HRVs), and they seem to function well. As PV prices continue to decline, start implementing projects as they become cost effective.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Molecular dynamics simulations of reflection and sputtering behavior of boron under deuterium ion irradiation

Boronization is a commonly used method of wall conditioning in fusion reactors. The application of boron films to the plasma-facing materials results in enhanced plasma performance due to the reduction of intrinsic impurities. This is primarily driven by a reduction in oxygen content that is chemically trapped in the boron film. The reactive nature of these boron films also raises questions concerning interactions with hydrogen isotopes. In this work, boron-deuterium interactions were studied using molecular dynamics (MD). Reactive force field potentials were used to model the chemical interactions between B and D. An amorphous boron substrate was irradiated by D atoms at varying incident energies, 10 eV < E i < 150 eV and angles, 0° < α < 85°. The reflection probability was calculated and compared to results from the commonly-used binary collision approximation (BCA) method. This comparison found that the BCA underestimated the reflection probability at E i < 35 eV and α > 45 ∘ . The source of this discrepancy was found to be the surface binding energy model. The BCA calculation with an isotropic surface binding energy model was more closely aligned to the MD result. This, in combination with a correction function based on the MD results allows for corrections to the reflection probability of deuterium impinging on boron surfaces. The sputtering of the substrate material was also studied. While this study did not contain sufficient events to quantitatively describe the sputtering behavior, some qualitative results emerged: namely, chemical sputtering of B and D-containing molecules (BD, BD 2 , BD 3 ) at low ( < 20 eV) incident deuterium energies. This result suggests that chemical sputtering could be a significant factor in limiting boron coating lifetime when exposed to lower ion energies, such as those in detached plasmas. The results show that chemical interactions should be taken into account when modeling the interactions between D ions and B surfaces.

Boron↗
DOE OSTI2017

Modeling Nonlinear Energy Dissipation of the Ministack Assembly

An assessment of two methodologies used at Sandia National Laboratories to model mechanical interfaces is performed on the Ministack finite element model. One method uses solid mechanics models to model contacting surfaces with Coulomb frictional contact to capture the physics. The other, termed the structural dynamics reduced order model, models the interface with a simplified whole joint model using four-parameter Iwan elements. The solid mechanics model resolves local kinematics at the interface while the simplified structural dynamics model is significantly faster to simulate. One of the current challenges to using the whole joint model is that it requires calibration to data. A novel approach is developed to calibrate the reduced structural dynamics model using data from the solid mechanics model to match the global dynamics of the system. This is achieved by calibrating to amplitude dependent frequency and damping of the system modes, which are estimated using three different approaches.

42 ENGINEERING↗
DOE OSTI2020

Finite-Temperature Structures of Supported Subnanometer Catalysts Inferred via Statistical Learning and Genetic Algorithm-Based Optimization

Single-atom catalysts (SACs) minimize noble metal utilization and can alter the activity and selectivity of supported metal nanoparticles. However, the morphology of active centers, including single atoms and subnanometer clusters of a few atoms, remains elusive due to experimental challenges. The computational cost to describe numerous cluster shapes and sizes makes direct first-principles calculations impractical. We present a computational framework to enable structure determination for single-atom and subnanometer cluster catalysts. As a case study, we obtained the low energy structures of Pd n (n = 1-21) clusters supported on CeO 2 (111), which are critical components of automobile three-way catalysts. Trained on density functional theory data, a three-dimensional cluster expansion is established using statistical learning to describe the Hamiltonian and predict energies of supported Pdn clusters of any structure. Low energy stable and metastable structures are identified using a Metropolis Monte Carlo-based genetic algorithm in the canonical ensemble at 300 K. We observe that supported single atoms sinter to form bilayer clusters and large cluster isomers share similarities in both shape and energy, and elucidate the significance of the support and microstructure on cluster stability. We discovered a simple surrogate structure-energy model, where the energy per atom scales with the square root of the average first coordination number, which can be used to estimate energies and compare the stability of clusters. Our framework, applicable to any metal/support system, fills an important methodological gap to predict the stability of supported metal catalysts in the subnanometer regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The traces of anisotropic dark energy in light of Planck

We study a dark energy model with non-zero anisotropic stress, either linked to the dark energy density or to the dark matter density. We compute approximate solutions that allow to characterise the behaviour of the dark energy model and to assess the stability of the perturbations. We also determine the current limits on such an anisotropic stress from the cosmic microwave background data by the Planck satellite, and derive the corresponding constraints on the modified growth parameters like the growth index, the effective Newton's constant and the gravitational slip.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Institutional Transformation (IX) 2.5 Building Module Help Manual

The Institutional Transformation (IX) building module is a software tool developed at Sandia National Laboratories to evaluate energy conservation measures (ECMs) on hundreds of DOE-2 building energy models simultaneously. In IX, ECMs can be designed through parameterizing DOE-2 building models and doing further processing via visual basic for applications subroutines. IX provides the functionality to handle multiple building models for different years, which enables incrementally changing a site of hundreds of buildings over time. It also enables evaluation of the effects of changing climate, comparisons between data and modeling results, and energy use of centralized utility buildings (CUBs). IX consists of a Microsoft Excel® user interface, Microsoft Access® database, and Microsoft Excel® CUB build utility whose functionalities are described in detail in this report. In addition to descriptions of the user interfaces, descriptions of every ECM already designed in IX is included.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Performance Simulation and Analysis of Occupancy-Based Control for Office Buildings with Variable-Air-Volume Systems

Variable-air-volume (VAV) systems are used in many office buildings. The minimum airflow rate setting of VAV terminal boxes has a significant impact on both energy consumption and indoor air quality. Conventional controls usually have the terminal’s minimum airflow rate at a constant (e.g., 30% or more of the terminal design airflow rate), irrespective of the occupancy status, which may cause problems, such as excessive simultaneous heating and cooling, under ventilation, and thermal comfort issues. This paper examines the potential of energy savings from occupancy-based controls (OBCs). The sensed occupancy information, either occupant presence or people count, is used to determine the airflow rate of terminal boxes, the thermostat setpoints, and the lighting control. Using EnergyPlus, a whole-building energy modeling software, the energy savings of OBC strategies are evaluated for representative existing medium office buildings in the U.S. The simulation results show that the conventional OBC, based on occupant presence sensing, can save 8% of whole-building energy use in Miami (hot climate) for systems without air-side economizer and about 13% in both Baltimore (mixed climate) and Chicago (cold climate). Comparatively, the advanced OBC, based on people counting, can save 8% in Miami to 23% in Baltimore for systems with economizers. The outdoor-air fraction of the supply air from air-handling units significantly affects the potential energy savings from the advanced OBC strategy. In addition to energy savings, the advanced OBC satisfies the zone ventilation during all occupied hours over the whole year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

The Dynamics of Inhomogeneous Dark Energy

In this paper, by analyzing the dynamics of inhomogeneous quintessence dark energy, we find that the gradient energy of dark energy will oscillate and gradually vanish, which indicates the gradient energy of the scalar field present in the early universe does not affect the current dynamics of the universe. Moreover, with the decaying of gradient energy, there exists a possible mutual transformation between kinetic energy and gradient energy. In the framework of interacting dark energy models, we argue that inhomogeneous dark energy may have a significant effect on the evolution of the cosmic background, the investigation of which still requires fully relativistic N -body numerical simulations in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1997

Formation of Carbon Nanotube Based Gears: Quantum Chemistry and Molecular Mechanics Study of the Electrophilic Addition of o-Benzyne to Fullerenes, Graphene, and Nanotubes

Considerable progress has been made in recent years in chemical functionalization of fullerene molecules. In some cases, the predominant reaction products are different from those obtained (using the same reactants) from polycyclic aromatic hydrocarbons (PAHs). One such example is the cycloaddition of o-benzyne to C60. It is well established that benzyne adds across one of the rings in naphthalene, anthracene and other PAHs forming the [2+4] cycloaddition product (benzobicyclo[2.2.2.]-octatriene with naphthalene and triptycene with anthracene). However, Hoke et al demonstrated that the only reaction path for o-benzyne with C60 leads to the [2+2] cycloaddition product in which benzyne adds across one of the interpentagonal bonds (forming a cyclobutene ring in the process). Either reaction product results in a loss of aromaticity and distortion of the PAH or fullerene substrate, and in a loss of strain in the benzyne. It is not clear, however, why different products are preferred in these cases. In the current paper, we consider the stability of benzyne-nanotube adducts and the ability of Brenner's potential energy model to describe the structure and stability of these adducts. The Brenner potential has been widely used for describing diamondoid and graphitic carbon. Recently it has also been used for molecular mechanics and molecular dynamics simulations of fullerenes and nanotubes. However, it has not been tested for the case of functionalized fullerenes (especially with highly strained geometries). We use the Brenner potential for our companion nanogear simulations and believe that it should be calibrated to insure that those simulations are physically reasonable. In the present work, Density Functional theory (DFT) calculations are used to determine the preferred geometric structures and energetics for this calibration. The DFT method is a kind of ab initio quantum chemistry method for determining the electronic structure of molecules. For a given basis set expansion, it is comparable in accuracy to the MP2 method (better than Hartree Fock, but less accurate than more extensive electron correlation methods such as MP4 or CCSD). However, for systems with large numbers of basis functions it more efficient than any other methods that include electron correlation effects. In this presentation we show the results of DFT calculations for the reaction of benzyne with naphthalene, C60, and nanotube models. We compare energies for [2+2] and [2+4] cycloaddition products. The preferred products for the naphthalene and C60 reactions have been determined by experiment and, thus, these cases serve as a validation of our quantum chemical approach. We also compare the DFT and Brenner potential results. Finally we can predict the likelihood of reaction between benzyne and nanotubes.

Jaffe, Richard↗
DOE OSTI2015

Occupant Behavior XML Schema

This software implements the DNAS framework into an XML (eXtensible Markup Language) schema, titled "occupant behavior XML" (obXML). The obXML schema is used for the practical implementation of the DNAS framework into building simulation tools. The topology of the DNAS framework implemented in the obXML schema has a main root element OccupantBehavior, linking three main elements representing Buildings, Occupants and Behaviors. Using the schema structure, the actions of turning on an air conditioner and closing blinds provide two examples of how the schema standardizes these actions using XML. The obXML schema has inherent flexibility to represent numerous, diverse and complex types of occupant behaviors in buildings, and it can also be expanded to encompass new types of behaviors. The implementation of DNAS framework into the obXML schema will facilitate the development of occupant information modeling by providing interoperability between occupant behavior models and building energy modeling programs.

Hong, Tianzhen↗
NASA NTRS2014

High-Energy Pulsar Models: Developments and New Questions

The past few years have seen a major advance in observational knowledge of high-energy (HE) pulsars. The Fermi Large Area Telescope (LAT) and AGILE have increased the number of known gamma-ray pulsars by an order of magnitude, its members being divided roughly equally among millisecond pulsars (MSPs), young radio-loud pulsars, and young radio-quiet pulsars. Many new and diverse emission characteristics are being measured, while radio and X-ray follow-up observations increase the pulsar detection rate and enrich our multiwavelength picture of these extreme sources. The wealth of new data has provided impetus for further development and improvement of existing theoretical pulsar models. Geometric light curve (LC) modelling has uncovered three broad classes into which HE pulsars fall: those where the radio profile leads, is aligned with, or lags the gamma-ray profile. For example, the original MSP and original black widow system are members of the second class, requiring co-located emission regions and thereby breaking with traditional notions of radio emission origin. These models imply narrow accelerator gaps in the outer magnetosphere, indicating copious pair production even in MSP magnetospheres that were previously thought to be pair-starved. The increased quality and variety of the LCs necessitate construction of ever more sophisticated models. We will review progress in global magnetosphere solutions which specify a finite conductivity on field lines above the stellar surface, filling the gap between the standard vacuum and force-free (FF; plasma-filled) models. The possibility of deriving phase-resolved spectra for the brightest pulsars, coupled with the fact that the HE pulsar population is sizable enough to allow sampling of various pulsar geometries, will enable much more stringent testing of future radiation models. Reproduction of the observed phase-resolved behavior of this disparate group will be one of the next frontiers in pulsar science, impacting on our understanding of particle acceleration, emission, and magnetosphere geometry. One may now also study evolutionary trends of the measured or inferred quantities, and probe pulsar visibility and population properties such as radiation beam sizes of different pulsar classes, as well as the distribution of spin-down power, gamma-ray luminosity, conversion efficiency, spectral index, and cutoff energy across the population. Lastly, the recent detection of very-high-energy (VHE) pulsations from the Crab pulsar generated quite a few ideas to explain this emission, leading to an extension of standard models and possibly even a bridge between the physics of pulsars and pulsar wind nebulae (PWNe).

gamma rays:↗
DOE OSTI2024

Deep Generative Models in Energy System Applications: Review, Challenges, and Future Directions

In recent years, with the advent of mature machine learning products like ChatGPT, Stable Diffusion, and Sora, the world has witnessed tremendous changes driven by the rapid development of generative artificial intelligence (GAI). Beyond applications in text, speech, image, and video creation, deep generative models (DGMs) underpinning these cutting-edge technologies have also been employed by domain researchers to address scientific and engineering challenges. This paper aims to fill a gap in the research community by providing a systematic review of how DGMs have been utilized in energy system applications. After introducing four most popular DGMs, we review and categorize 196 research articles into five focus areas: data generation, forecasting, situational awareness, modeling, and optimal decision-making. Through this classification, we uncover trends in how DGMs are employed for each type of problem, highlighting GAI techniques that contribute to breakthroughs over traditional methods. We discuss limitations in existing literature, engineering challenges, and propose future directions, all tailored to the unique nature of problems in energy system engineering. Our goal is to offer insights for energy system domain researchers, providing a comprehensive view of existing studies and potential future opportunities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

The BayREN Integrated Commercial Retrofits (BRICR) Project: An Introduction and Preliminary Results

BayREN Integrated Commercial Retrofits (BRICR) is a DOE-funded project which aims to enhance the capacity of energy efficiency programs to recruit participants, develop retrofits, and measure outcomes in small and medium-sized commercial buildings, a sector notoriously hard to reach and expensive to serve, that accounts for 2/3 of US commercial floor space. To address these barriers, BRICR leverages existing incentives, financing, data, and open source software to facilitate two paths for comprehensive improvements: a deep energy retrofit, or serial upgrades integrated into capital improvement and maintenance cycles. BRICR is developing an integrated workflow for iterative energy modeling of commercial buildings for city energy program managers and auditors - starting with mass building-scale simulation based on public records and proceeding through audit, retrofit, and measurement and verification stages. BRICR builds on existing tools including LBNL’s CBES, NREL’s OpenStudio, PNNL’s Audit Template, and DOE’s BuildingSync and SEED PlatformTM. At each stage, BRICR uses available information to inform simulations (starting with public records but iteratively augmented with observations from energy program staff) to improve the quality of the models that inform decision making. This paper presents initial results from energy models of 1699 office and retail buildings in San Francisco. Building stock data from public records were translated to create a BuildingSync file for each building which was stored in SEED. Each BuildingSync file was then translated to multiple OpenStudio Workflow files for EnergyPlus simulation to estimate energy savings of energy conservation measures (ECM). Energy savings predictions for each ECM were written back to an updated BuildingSync file for each building and re-uploaded to SEED. The distribution of baseline energy simulations was calibrated against the publicly disclosed distribution of energy benchmarking data to increase confidence in results.

Piette, M↗
DOE OSTI2024

AutoBEM for BlocPower

As part of a cooperative research and development agreement (CRADA), the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) and BlocPower partnered to rectify disparities between simulated and actual energy consumption in buildings using various correction methods. This team extended ORNL’s building energy modeling capabilities and used bias-correction techniques to reduce the difference between simulated energy consumption estimations and ground-truth consumption data of buildings provided by utilities. ORNL is one of three core DOE laboratories developing the energy modeling tools EnergyPlus and OpenStudio.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗