Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sizing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Novel Approach to Synthesize Micrometer-Sized Porous Silicon as a High Performance Anode for Lithium-Ion Batteries

Porous structured silicon (p-Si) has been recognized as one of the most promising anodes for Li-ion batteries. However, many available methods to synthesize p-Si are difficult to scale up due to their high production cost. Here we introduce a new scalable approach to obtain spherical micrometer-sized silicon with unique porous structure by using a microemulsion and magnesiothermic reduction method. The spherical micron-sized p-Si particles prepared by this approach consist of highly aligned nano-sized silicon and exhibit a tap density close to that of bulk Si particles. They have demonstrated significantly improved electrochemical stability compared to nano-Si. Well controlled void space and a highly graphitic carbon coating on the p-Si particles enable good stability of the structure and low overall resistance, thus resulting in a Si-based anode with high capacity (~1467 mAh g-1 at 1C), enhanced cycle life (200 cycles with 90% capacity retention), and high rate capability (~650 mAh g-1 at 5C). This scalable approach may also be generalized to prepare other hierarchical structured high capacity anode materials for constructing high energy density lithium ion batteries.

Jia, Haiping↗
DOE OSTI2024

Uncovering the Size-dependent Thermal Solid Transformation of Akaganéite

Investigating the structural evolution and phase transformation of iron oxides is crucial for gaining a deeper understanding of geological changes on diverse planets and preparing oxide materials suitable for industrial applications. In this study, we employed in-situ heating techniques in conjunction with transmission electron microscopy (TEM) observations and ex-situ characterization to thoroughly analyze the thermal solid-phase transformation of akaganéite one-dimensional (1D) nanostructures with varying diameters. Our findings offer compelling evidence for a size-dependent morphology evolution in akaganéite 1D nanostructures, which can be attributed to the transformation from akaganéite to maghemite (?-Fe2O3) and subsequent crystal growth. Specifically, we observed that akaganéite nanorods with a diameter of around 50 nm transformed into hollow polycrystalline maghemite nanorods, which demonstrated remarkable stability without arresting crystal growth under continuous heating. In contrast, smaller akaganéite nanoneedles or nanowires with a diameter ranging from 20 to 8 nm displayed a propensity for forming single-crystal nanoneedles or nanowires through phase transformation and densification. By manipulating the size of the precursors, we have developed a straightforward method for the synthesis of single-crystal and polycrystalline maghemite nanowires through solid-phase transformation. These significant findings provide new insights into the size-dependent structural evolution and phase transformation of iron oxides at the nanoscale.

Wang, Xiang↗
DOE OSTI2024

Quantifying structural errors in cloud condensation nuclei activity from reduced representation of aerosol size distributions

Aerosol effects on clouds and radiation are the dominant contribution to uncertainty in radiative forcing relative to the pre-industrial atmosphere. While previous studies have assessed the impact of parametric uncertainty on modeled forcing, structural errors from the numerical representation of particle distributions have not been well quantified. Here we present a framework for quantifying error in aerosol size distributions and cloud condensation nuclei activity, which we apply to the widely used 4-mode version of the Modal Aerosol Module (MAM4). Box model predictions from the MAM4 are evaluated against the Particle Monte Carlo Model for Simulating Aerosol Interactions and Chemistry (PartMC-MOSAIC), a benchmark model that tracks the evolution of individual particles. We show that size distributions simulated by MAM4 diverge from those simulated by PartMC-MOSAIC after only a few hours of aging by condensation and coagulation in polluted conditions, which leads to large errors in modeled cloud condensation nuclei concentrations. We find that differences between MAM4 and PartMC-MOSAIC are largest under polluted conditions, where the size distribution evolves rapidly though aging by condensation of semi-volatile substances and coagulation among particles. These findings suggest that structural error in modeled aerosol properties contributes to the large inter-model variability in aerosol radiative forcing.

Fierce, Laura M.↗
DOE OSTI2022

Ab-Initio Investigation of Finite Size Effects in Rutile Titania Nanoparticles with Semilocal and Nonlocal Density Functionals

In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and electronic gap of rutile titania nanoparticles with particle size. The surface energies and electronic gaps are calculated for cuboidal particles with minimum dimension ranging from 3.7 Angstrom (24 atoms) to 10.3 Angstrom (384 atoms) using a highly-parallel real-space DFT code to enable hybrid level DFT calculations of larger nanoparticles than are typically practical. We deconvolute the geometric and electronic finite size effects in surface energy, and evaluate the influence of defects on electronic gap and density of states (DOS). The electronic finite size effects in surface energy vanish when the minimum length scale of the nanoparticles becomes greater than 10 Angstrom. We show that this length scale is consistent with a computationally efficient numerical analysis of the characteristic length scale of electronic interactions. The surface energy of nanoparticles having minimum dimension beyond this characteristic length can be approximated using slab calculations that account for the geometric defects. In contrast, the finite size effects on the electronic gap and DOS is highly dependent on the shape and size of these particles. Furthermore, the DOS for cuboidal particles and more realistic particles constructed using the Wulff algorithm reveal that defect states within the electronic gap play a key role in determining the eigen value distribution of nanoparticles and the electronic gap does not converge to the bulk limit for the particle sizes investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

3D Morphology of Bimodal Porous Copper with Nano-Sized and Micron-Sized Pores to Enhance Transport Properties for Functional Applications

Multiscale porous metals with multiscale porosity from nanometer to micrometer have a high specific surface area and high effective diffusivity for ion transport, thereby enhancing functionalities and extending the applications of porous metals. Herein, the Cu–Fe–Al ternary system was selected as the precursor alloy to construct multiscale, bimodal porous copper by the chemical dealloying method. The effect of the phase composition and initial microstructure of precursor alloys (Al x Fe 75– x Cu 25 , x = 10–60) on the three-dimensional (3D) morphology of multiscale porous metals was systematically investigated, with a goal to precisely control the multiscale porous structure. The four crystal structure phases (body-centered cubic (BCC), face-centered cubic (FCC), CsCl type (B2), and monoclinic) in precursor alloys were analyzed by synchrotron X-ray diffraction refinement. The 3D morphology, feature size distribution, and tortuosity of four representative porous Cu after dealloying Al x Fe 75– x Cu 25 ( x = 10, 30, 50, and 60) precursor alloys were directly visualized and quantified via advanced synchrotron X-ray nanotomography. The relationship between the phases/crystal structures of precursor alloys and their corresponding porous morphology was established: the micron-sized pores in bimodal porous Cu are formed by dissolving the CuFeAl phase with BCC and monoclinic crystal structures, and the nano-sized pores are formed by dealloying the CuFeAl phase with FCC and B2 crystal structures. The size of the nanoporous structure depends on the ratio between the more noble and more active components in the precursor alloy, while the size of the microporous structure depends on the corresponding phase size in the precursor alloy. The tortuosity results showed that the multiscale porous structure with both nanoporosity and microporosity exhibits lower tortuosity, which will enhance transport properties for functional applications.

25 ENERGY STORAGE↗
DOE OSTI2018

Simple size-controlled synthesis of Au nanoparticles and their size-dependent catalytic activity

The controlled preparation of Au nanoparticles (NPs) in the size range of 6 to 22 nm is explored in this study. The Au NPs were prepared by the reduction of tetrachloroauric acid using maltose in the presence of nonionic surfactant Tween 80 at various concentrations to control the size of the resulting Au NPs. With increasing concentration of Tween 80 a decrease in the size of produced Au NPs was observed, along with a significant decrease in their size distribution. The size-dependent catalytic activity of the synthesized Au NPs was tested in the reduction of 4-nitrophenol with sodium borohydride, resulting in increasing catalytic activity with decreasing size of the prepared nanoparticles. Eley-Rideal catalytic mechanism emerges as the more probable, in contrary to the Langmuir-Hinshelwood mechanism reported for other noble metal nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Size consistent formulations of the perturb-then-diagonalize Møller-Plesset perturbation theory correction to non-orthogonal configuration interaction

In this paper we introduce two size consistent forms of the non-orthogonal configuration interaction with second-order Møller-Plesset perturbation theory method, NOCI-MP2. We show that the original NOCI-MP2 formulation [S. R. Yost, T. Kowalczyk, and T. VanVoorh, J. Chem. Phys. 193, 174104 (2013)], which is a perturb-then-diagonalize multi-reference method, is not size consistent. We also show that this causes significant errors in large systems like the linear acenes. By contrast, the size consistent versions of the method give satisfactory results for singlet and triplet excited states when compared to other multi-reference methods that include dynamic correlation. For NOCI-MP2 however, the number of required determinants to yield similar levels of accuracy is significantly smaller. These results show the promise of the NOCI-MP2 method, though work still needs to be done in creating a more consistent black-box approach to computing the determinants that comprise the many-electron NOCI basis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Size‐Dependent Crystal Properties of Nanocuprite

Cuprite nanoparticles from 9 nm to 1 μm with narrow size distribution (±7%) are prepared by two different methods. The lattice parameter increases up to 0.2% as the crystallite size decreases to 9 nm from micron size. X‐ray Absorption Near Edge Spectroscope study of our copper oxide nanoparticles shows mostly Cu (I) with increasing concentration of Cu ( II ) as decreasing crystal sizes. The size effect in Cu( II )/Cu(I) ratio indicates that at smaller crystal size, the Cu 2 O tends to be more oxidized at higher charge state with Cu(I)‐O bond. Thus, the lattice expansion can be explained by the presence of longer Cu ( II )‐O bond than Cu (I)‐O bond and/or oxygen interstitials in nanocuprite.

Song, Junhua↗
DOE OSTI2014

Size Effect on Nuclear Gamma-Ray Energy Spectra Acquired by Different Sized CeBr3, LaBr3:Ce, and NaI:Tl Gamma-Ray Detectors

Gamma-ray energy spectra were acquired for different sizes of cerium tribromide (CeBr3), cerium-doped lanthanum tribromide (LaBr3:Ce), and thallium-doped sodium iodide (NaI:Tl) detectors. A comparison was conducted of the energy resolution and detection efficiency of these scintillator detectors for different sizes of detectors. The results of this study are consistent with the observation that for each size detector, LaBr3:Ce offers better resolution than either a CeBr3 or NaI:Tl detector of the same size. In addition, CeBr3 and LaBr3:Ce detectors could resolve some closely spaced peaks in the spectra of several radioisotopes that NaI:Tl could not. As the detector size increased, all three detector materials exhibited higher efficiency, albeit with slightly reduced resolution. Significantly, the very low intrinsic activity of CeBr3 is also demonstrated in this study, which, when combined with energy resolution characteristics for a range of detector sizes, could lead to an improved ability to detect special nuclear materials compared to the other detectors.

actinium-227↗
NASA NTRS2006

Turbulent Size Selection and Concentration of Chondrule-Sized Objects: Reynolds Number Invariance and Implications

It is generally agreed that individual chondrules formed as entities in a gaseous nebula prior to being accumulated into a meteorite parent body, within which they incur various forms of modification before arriving in our labs. While there are major unanswered questions about the properties of the nebula environment in which chondrules formed, the process by which the most primitive meteorites are formed overwhelmingly from chondrules must then be an aspect of "nebula processing". Textures in certain fragments of primitive meteorites might be summarized as being primarily chondrules and clastic, chondrule-sized, fragments of other minerals, each covered with a rim of fine dust with physical and chemical properties which are essentially independent of the composition and mineralogy of the underlying chondrule. This (unfortunately rather rare) texture was called "primary accretionary texture" to reflect their belief that it precedes subsequent stages in which fragmentation, comminution, mixing, heating, and other forms of alteration occur on the parent body(-ies). The size distribution of these chondrules and fragments, and the properties of their dusty rims, are key clues regarding the primary nebula accretion process. Even in the much more abundant meteorites which have clearly suffered internal mixing, abrasion, grinding, and even mineralogical alteration or replacement (due presumably to the collisional growth and heating process itself), key chondrule properties such as mean size and density remain relatively well defined, and well defined rims persist in many cases. It has been our goal to infer the key nebula processes indirectly from the properties of these very earliest primitive meteorites by making use of a theoretical framework in which the nebula possesses a plausible level of isotropic turbulence. We have shown that turbulence has the property of concentrating one particular particle size by orders of magnitude, where the preferentially concentrated size depends primarily on the intensity of the turbulent kinetic energy (represented by the Reynolds number of the nebula). Specifically, the preferentially concentrated particle is that which has a stopping time equal to the turnover time of the smallest eddy. The intensity level of turbulence implied by chondrule sizes can be maintained by even a small fraction of the energy released by the radially evolving disk (it must be noted that the details of how this transfer of energy actually occurs remain obscure, however).

Cuzzi, J. N.↗
DOE OSTI2021

Electronic impact of Ni2P nanoparticle size on hydrogenation rates

Nickle phosphide, Ni2P, nanoparticles supported on SiO2 show a marked volcano shaped size dependence. Kinetic analysis and physicochemical characterization shows the electron density of Ni to increase with increasing Ni2P size, enhancing in turn the H2 adsorption strength. For particles below 15 nm, H adsorbs weakly causing a low surface coverage of H, gradually increasing with particle size. For large particles, hydrogen binds too strongly causing a high coverage but low catalytic activity. The remarkable size dependence of the electronic properties show that Ni2P particle size can be used to fine-tune its activity for hydrogenation.

Ni2P size effect, Electron density, H2 adsorption ↗
DOE OSTI2025

Evaluating Entrainment–Mixing Characteristics through Direct Comparisons of Drop Size Distributions Using In Situ Observations from ACE-ENA

Abstract Constraining the impacts of entrainment and associated mixing (i.e., entrainment–mixing) on cloud properties continues to be difficult, partly due to observational uncertainties as well as a lacking consensus of which methodologies for diagnosing entrainment–mixing are most appropriate. This study introduces a novel method to evaluate the presence and degree of inhomogeneous and homogeneous mixing using ∼100 h of in situ observations from a research aircraft over the northeastern Atlantic. Specifically, drop size distributions are compared between regions containing negligible and significant entrainment for select flight legs, making a direct characterization of the degree of homogeneous and inhomogeneous mixing possible. A measure of drop concentration variance is used as a proxy variable to diagnose entrainment–mixing. Results correspond well with entrainment–mixing metrics, showing lower Damköhler numbers where drop size distributions shift toward smaller drop sizes (i.e., inhomogeneous mixing) and greater transition length scales where drop size distributions do not (i.e., homogeneous mixing). Inhomogeneous mixing occurs in most samples from Aerosol and Cloud Experiment in the Eastern North Atlantic (ACE-ENA) (regardless of homogeneous mixing frequencies increasing with increasing spatial resolution from ∼100 to ∼10 m) and is associated with decreased drop size relative dispersion and both greater aerosol and drop concentrations compared with homogeneous mixing. Precipitating clouds have a greater frequency of homogeneous mixing compared with nonprecipitating clouds. The proposed methodology is similarly applied to in situ observations of southeast Pacific stratocumulus, shallow convective clouds over central Oklahoma and low-level clouds over the Southern Ocean. All four locations are primarily dominated by inhomogeneous mixing with minimal variability among each region.

Clouds↗