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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development of a Sizing and Modeling Platform for District Energy Systems with Geothermal Heat Pumps

Existing tools for community or urban scale energy system modeling and simulation are often limited in their capabilities and require expert-level modeling proficiency to develop system models. To fill this gap, this paper proposes an integrated sizing and modeling platform for district energy systems with geothermal heat pumps. The proposed platform takes in geometric and non-geometric user inputs related to the buildings, borefield, and district energy loop. Then, the platform sizes the geothermal heat exchanger, generates a corresponding district energy system model, and runs an annual simulation automatically. We validated the simulation performance of the borefield in our tool against EnergyPlus. A case study is provided in this paper to demonstrate the workflow and simulation result plausibility of the proposed platform.

decarbonization↗
DOE OSTI2016

THE IMPACT OF STELLAR FEEDBACK ON THE STRUCTURE, SIZE, AND MORPHOLOGY OF GALAXIES IN MILKY-WAY-SIZED DARK MATTER HALOS

We use cosmological zoom-in simulations of galaxy formation in a Milky-Way-sized halo started from identical initial conditions to investigate the evolution of galaxy sizes, baryon fractions, morphologies, and angular momenta in runs with different parameters of the star formation–feedback cycle. Our fiducial model with a high local star formation efficiency, which results in efficient feedback, produces a realistic late-type galaxy that matches the evolution of basic properties of late-type galaxies: stellar mass, disk size, morphology dominated by a kinematically cold disk, stellar and gas surface density profiles, and specific angular momentum. We argue that feedback’s role in this success is twofold: (1) removal of low angular momentum gas, and (2) maintaining a low disk-to-halo mass fraction, which suppresses disk instabilities that lead to angular momentum redistribution and a central concentration of baryons. However, our model with a low local star formation efficiency, but large energy input per supernova, chosen to produce a galaxy with a similar star formation history as our fiducial model, leads to a highly irregular galaxy with no kinematically cold component, overly extended stellar distribution, and low angular momentum. This indicates that only when feedback is allowed to become vigorous via locally efficient star formation in dense cold gas do resulting galaxy sizes, gas/stellar surface density profiles, and stellar disk angular momenta agree with observed z = 0 galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Research study of droplet sizing technology leading to the development of an advanced droplet sizing system

An instrument to measure the size and velocity of droplets was developed. The instrument uses one of two techniques, as appropriate. In the first technique two small laser beams of one color identify the center of a larger laser beam of a different color. This defines a region of almost uniform intensity where the light scattered by the individual droplets can be related to their size. The first technique uses the visibility of a Doppler burst and validates it against the peak intensity of the signal's pedestal. Results are presented for monodisperse, bimodal, trimodal, and polydisperse sprays produced by the Berglund-Liu droplet generator and a pressure nozzle. Size distributions of a given spray obtained using three different size ranges show excellent self-consistency in the overlapping region. Measurements of sprays of known characteristics exhibit errors in the order of 10%. The principles of operation and design criteria of the instrument are discussed in great detail.

Hess, C. F.↗
NASA NTRS2012

Modeling the Effects of Beam Size and Flaw Morphology on Ultrasonic Pulse/Echo Sizing of Delaminations in Carbon Composites

The size and shape of a delamination in a multi-layered structure can be estimated in various ways from an ultrasonic pulse/echo image. For example the -6dB contours of measured response provide one simple estimate of the boundary. More sophisticated approaches can be imagined where one adjusts the proposed boundary to bring measured and predicted UT images into optimal agreement. Such approaches require suitable models of the inspection process. In this paper we explore issues pertaining to model-based size estimation for delaminations in carbon fiber reinforced laminates. In particular we consider the influence on sizing when the delamination is non-planar or partially transmitting in certain regions. Two models for predicting broadband sonic time-domain responses are considered: (1) a fast "simple" model using paraxial beam expansions and Kirchhoff and phase-screen approximations; and (2) the more exact (but computationally intensive) 3D elastodynamic finite integration technique (EFIT). Model-to-model and model-to experiment comparisons are made for delaminations in uniaxial composite plates, and the simple model is then used to critique the -6dB rule for delamination sizing.

Margetan, Frank J.↗
DOE OSTI2025

Machine Learning based Correlation of the Mechanical Properties of Sub-sized and Standard-sized Specimens

Mechanical testing with sub-sized specimens is essential in the nuclear industry, offering the ability to conduct tests in confined spaces with lower irradiation and expediting material qualification. However, smaller specimens exhibit different material behavior across scales, a phenomenon known as the "specimen size effect". In this study, we compiled over 1,000 tensile testing records, covering 54 parameters such as material type, composition, manufacturing details, irradiation conditions, specimen dimensions, and tensile properties through a comprehensive literature review. We focus on correlating sub-sized and standard specimens’ tensile mechanical properties on SS316 alloy, which has the most extensive dataset available. We explore ML-based models and uncertainty quantification for tensile properties, analyze key factors influencing these properties, and compare the effectiveness of ML models with existing analytical methods in addressing the specimen size effect.

tensile properties↗
DOE OSTI2016

Three-dimensional reconstruction of the size and shape of protein microcrystals using Bragg coherent diffractive imaging

Three-dimensional imaging of protein crystals during X-ray diffraction experiments opens up a range of possibilities for optimising crystal quality and gaining new insights into the fundamental processes that drive radiation damage. Obtaining this information at the appropriate lengthscales however is extremely challenging. One approach that has been recently demonstrated as a promising avenue for charactering the size and shape of protein crystals at nanometre lengthscales is Bragg Coherent Diffractive Imaging (BCDI). BCDI is a recently developed technique that is able to recover the phase of the continuous diffraction intensity signal around individual Bragg peaks. When data is collected at multiple points on a rocking curve a Reciprocal Space Map (RSM) can be assembled and then inverted using BCDI to obtain a three-dimensional image of the crystal. The first demonstration of two-dimensional BCDI of protein crystals was reported by Boutet at al., recently this work was extended to the study of radiation damage of micron-sized crystals. Here we present the first three-dimensional reconstructions of a Lysozyme protein crystal using BDI. The results are validated against RSM and TEM data and have implications for both radiation damage studies and for developing new approaches to structure retrieval from micron-sized protein crystals.

Bragg coherent diffractive imaging↗
DOE OSTI2015

Many-body localization in disorder-free systems: The importance of finite-size constraints

Recently it has been suggested that many-body localization (MBL) can occur in translation-invariant systems, and candidate 1D models have been proposed. We find that such models, in contrast to MBL systems with quenched disorder, typically exhibit much more severe finite-size effects due to the presence of two or more vastly different energy scales. In a finite system, this can artificially split the density of states (DOS) into bands separated by large gaps. We argue for such models to faithfully represent the thermodynamic limit behavior, the ratio of relevant coupling must exceed a certain system-size depedent cutoff, chosen such that various bands in the DOS overlap one another. Setting the parameters this way to minimize finite-size effects, we study several translation-invariant MBL candidate models using exact diagonalization. Based on diagnostics including entanglement and local observables, we observe thermal (ergodic), rather than MBL-like behavior. Our results suggest that MBL in translation-invariant systems with two or more very different energy scales is less robust than perturbative arguments suggest, possibly pointing to the importance of non-perturbative effects which induce delocalization in the thermodynamic limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Distinguishing localization from chaos: Challenges in finite-size systems

Highlights: • Provides an overview of the current understanding of the many-body localization phase transition. • Discusses the subtleties of finite-size scaling near this transition • Assesses the implications of these subtleties for numerical studies of spin chains. • Explores scaling of diagnostics in models with known localization transitions. • Presents suggestions for future numerical work. We re-examine attempts to study the many-body localization transition using measures that are physically natural on the ergodic/quantum chaotic regime of the phase diagram. Using simple scaling arguments and an analysis of various models for which rigorous results are available, we find that these measures can be particularly adversely affected by the strong finite-size effects observed in nearly all numerical studies of many-body localization. This severely impacts their utility in probing the transition and the localized phase. In light of this analysis, we discuss a recent study (Šuntajs et al., 2020) of the behaviour of the Thouless energy and level repulsion in disordered spin chains, and its implications for the question of whether MBL is a true phase of matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Particle size effect and the mechanism of hematite reduction by the outer membrane cytochrome OmcA of Shewanella oneidensis MR-1

The cycling of iron at the Earth’s near surface is profoundly influenced by dissimilatory metal reducing microorganisms, and many studies have focused on unraveling electron transfer mechanisms between these bacteria and Fe(III)-(oxyhydr)oxides. However, these efforts have been complicated by the fact that these minerals often occur in the micro- to nanosize regime, and in relevant natural environments as well as in the laboratory are subject to aggregation. The nature of the physical interface between the cellular envelope, the outer-membrane cytochromes responsible for facilitating the interfacial electron transfer step, and these complex mineral particulates is thus difficult to probe. Previous studies using whole cells have reported reduction rates that do not correlate with particle size. In the present study we isolate the interaction between the decaheme outer-membrane cytochrome OmcA of Shewanella oneidensis and nanoparticulate hematite, examining the reduction rate as a function of particle size and reaction products through detailed characterization of the electron balance and the structure and valence of iron at particle surfaces. By comparison with abiotic reduction via the smaller molecule ascorbic acid, we show that the reduction rate is systematically controlled by the sterically accessible interfacial contact area between OmcA and hematite in particle aggregates; rates increase once pore throat sizes in aggregates become as large as OmcA. Simultaneous measure of OmcA oxidation against Fe(II) release shows a ratio of 1:10, consistent with a cascade OmcA oxidation mechanism heme by heme. X-ray absorption spectroscopies reveal incipient magnetite on the reacted surfaces of the hematite nanoparticles after reaction. The collective findings establish the importance of accessibility of physical contact between the terminal reductases and iron oxide surfaces, and through apparent consistency of observations help reconcile behavior reported at the larger more complex scale of whole cell studies.

58 GEOSCIENCES↗
DOE OSTI2016

Size-dependent characteristics of ultra-fine oxygen-enriched nanoparticles in austenitic steels

Here, a coordinated investigation of the elemental composition and morphology of ultra-fine-scale nanoparticles as a function of size within a variety of austenitic oxide dispersion-strengthened (ODS) steels is reported. Atom probe tomography was utilized to evaluate the elemental composition of these nanoparticles. Meanwhile, the crystal structures and orientation relationships were determined by high resolution transmission electron microscopy. The nanoparticles with sufficient size (>4 nm) to maintain a Y2Ti2-xO7-2x stoichiometry were found to have a pyrochlore structure, whereas smaller YxTiyOz nanoparticles lacked a well-defined structure. The size-dependent characteristics of the nanoparticles in austenitic ODS steels differ from those in ferritic/martensitic ODS steels.

atom probe tomography↗
DOE OSTI2017

Phase transformation kinetics in rolled U-10 wt. % Mo foil: Effect of post-rolling heat treatment and prior γ-UMo grain size

The effect of sub-eutectoid heat treatment on the phase transformation behavior in rolled U-10 wt.percent Mo (U10Mo) foils was systematically investigated. The as-cast 5 mm thick foils were initially homogenized at 900 degrees C for 48 hours and were hot rolled to 2 mm and later cold rolled down to 0.2 mm. Three starting microstructures were evaluated: (i) hot- + cold-rolled to 0.2 mm (as-rolled condition), (ii) hot- + cold-rolled to 0.2 mm + annealed at 700 deg. C for 1 hour, and (iii) hot- + cold-rolled to 0.2 mm + annealed at 1000 deg. C for 60 hours. U10Mo rolled foils went through various degrees of decomposition when subjected to the sub-eutectoid heat-treatment step and formed a lamellar microstructure through a cellular reaction mostly along the previous γ-UMo grain boundaries.

Jana, Saumyadeep↗
DOE OSTI2022

No One Size Fits All: Semiconductor Nanocrystal Sizing Curves

Although colloidal quantum dots or nanocrystals (NCs) are now long past their infancy, there remain basic issues that must be addressed to fully establish their fundamental, size-dependent properties. This is especially true for model systems such as CdSe where confinement effects are responsible for changes in their optical response and where significant effort has been invested in developing theories of their underlying electronic structure. Surprisingly, there still appears to be a lack of consensus on one of the most fundamental metrics for NCs, their sizing curves. As shown here, these are empirical functions that link the size of isotropically shaped semiconductor NCs (such as the diameter, d, for spherical NCs and edge length, l, for cube-shaped ones) to corresponding changes in optical response.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Pore size effects on the sorption of supercritical carbon dioxide in mesoporous CPG-10 silica

Excess sorption isotherms of supercritical carbon dioxide in mesoporous CPG-10 silica glasses with nominal pore sizes of 75 (7.5 nm) and 350 (35 nm) were measured gravimetrically at 35 C and 50 C and pressures of 0-200 bar. Formation of broad maxima in the excess sorption was observed at fluid densities below the bulk critical density. Positive values of excess sorption were measured at bulk densities below about 0.65-0.7 g/cm3, whereas zero and negative values were obtained at higher densities, indicating that the interfacial fluid becomes less dense than the corresponding bulk fluid at high fluid densities. A shift of the excess sorption peak position to higher fluid density is found with increasing pore width. The excess sorption of CO2 normalized to the specific surface area is higher for the 35 nm pore size material, suggesting pore confinement effects. Conversely, the pore volume normalized excess sorption is higher for the 7.5 nm pore size material. Assessment of mean pore density reveals regions of constant pore fluid density, located between the excess sorption peak and the adsorption/depletion transition. Both materials exhibit such regions of constant mean pore fluid density as a function of bulk CO2 density at the lower temperature of 35 C, but not at 50 C. The results of this study suggest that the CO2 storage capacity in quartz-rich reservoirs is higher for sites with low temperature and rock textures characterized by narrow pores with high surface to volume ratios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Influence of particle size, cycling rate and temperature on the lithiation process of anatase TiO 2

The nature of a phase transition plays an important role in controlling the kinetics of reaction of an electrode material in a lithium-ion battery. The actual phase transition path can be affected by particle size and cycling rate. In this study, we investigated the phase transition process during the electrochemical Li intercalation of anatase TiO 2 as a function of particle size (25 nm and 100 nm), cycling rate (1C, 2C, 5C, 10C, 20C) and temperature (room temperature and 80 °C) by in situ synchrotron X-ray diffraction. The phase transition was found to be affected by the particle size: the 100 nm particles react simultaneously via a conventional nucleation and growth, i.e. two-phase, mechanism, while the 25 nm particles react sequentially via a two-phase mechanism. The Li miscibility gap decreases with increasing cycling rate, yet the phase separation was not suppressed even at a cycle rate of 20C. An increase in temperature from room temperature to 80 °C significantly improves the electrode's electrochemical performance despite undergoing a two-phase reaction. The failure to observe a continuous structural transition from tetragonal TiO 2 to orthorhombic Li 0.5 TiO 2 even at high rates and elevated temperature was attributed to the high energy barrier of a continuous phase transition path.

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

Determination of lateral size distribution of type-II ZnTe/ZnSe stacked submonolayer quantum dots via spectral analysis of optical signature of the Aharanov-Bohm excitons

For submonolayer quantum dot (QD) based photonic devices, size and density of QDs are critical parameters, the probing of which requires indirect methods. We report the determination of lateral size distribution of type-II ZnTe/ZnSe stacked submonolayer QDs, based on spectral analysis of the optical signature of Aharanov-Bohm (AB) excitons, complemented by photoluminescence studies, secondary-ion mass spectroscopy, and numerical calculations. Numerical calculations are employed to determine the AB transition magnetic field as a function of the type-II QD radius. The study of four samples grown with different tellurium fluxes shows that the lateral size of QDs increases by just 50%, even though tellurium concentration increases 25-fold. Detailed spectral analysis of the emission of the AB exciton shows that the QD radii take on only certain values due to vertical correlation and the stacked nature of the QDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗