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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A transition in mechanisms of size dependent electrical transport at nanoscale metal-oxide interfaces

As device miniaturization approaches nanoscale dimensions, interfaces begin to dominate electrical properties. Here the system archetype Au/SrTiO{sub 3} is used to examine the origin of size dependent transport properties along metal-oxide interfaces. We demonstrate that a transition between two classes of size dependent electronic transport mechanisms exists, defined by a critical size ε. At sizes larger than ε an edge-related tunneling effect proportional to 1/D (the height of the supported Au nanoparticle) is observed; interfaces with sizes smaller than ε exhibit random fluctuations in current. The ability to distinguish between these mechanisms is important to future developments in nanoscale device design.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Size and alloying induced shift in core and valence bands of Pd-Ag and Pd-Cu nanoparticles

In this report, X-ray photoelectron spectroscopy studies have been carried out on Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles having identical sizes corresponding to mobility equivalent diameters of 60, 40, and 20 nm. The nanoparticles were prepared by the gas phase synthesis method. The effect of size on valence and core levels in metal and alloy nanoparticles has been studied by comparing the values to those with the 60 nm nanoparticles. The effect of alloying has been investigated by comparing the valence and core level binding energies of Pd-Cu and Pd-Ag alloy nanoparticles with the corresponding values for Pd, Ag, and Cu nanoparticles of identical sizes. These effects have been explained in terms of size induced lattice contractions, alloying induced charge transfer, and hybridization effects. The observation of alloying and size induced binding energy shifts in bimetallic nanoparticles is important from the point of view of hydrogen reactivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Grain size effect on the giant dielectric constant of CaCu{sub 3}Ti{sub 4}O{sub 12} nanoceramics prepared by mechanosynthesis and spark plasma sintering

In the present work, CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) nanoceramics with different grain sizes were prepared by spark plasma sintering (SPS) at different temperatures (SPS-800, SPS-900, SPS-975, and SPS-1050) of the mechanosynthesized nano-powder. Structural and microstructural properties were studied by XRD and field-emission scanning electron microscope measurements. The grain size of CCTO nanoceramics increases from 80 nm to ∼200 nm for the ceramics sintered at 800 °C and 975 °C, respectively. Further increase of SPS temperature to 1050 °C leads to micro-sized ceramics of 2–3 μm. The electrical and dielectric properties of the investigated ceramics were studied by impedance spectroscopy. Giant dielectric constant was observed in CCTO nanoceramics. The dielectric constant increases with increasing the grain size of the nanoceramics with values of 8.3 × 10{sup 3}, 2.4 × 10{sup 4}, and 3.2 × 10{sup 4} for SPS-800, SPS-900, and SPS-975, respectively. For the micro-sized SPS-1050 ceramics, the dielectric constant dropped to 2.14 × 10{sup 4}. The dielectric behavior is interpreted within the internal barrier layer capacitance picture due to the electrical inhomogeneity of the ceramics. Besides the resistive grain boundaries that are usually observed in CCTO ceramics, domain boundaries appear as a second source of internal layers in the current nanoceramics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of oxidizer on grain size and low temperature DC electrical conductivity of tin oxide nanomaterial synthesized by gel combustion method

Nanocrystalline Tin oxide material with different grain size was synthesized using gel combustion method by varying the fuel (C{sub 6}H{sub 8}O{sub 7}) to oxidizer (HNO{sub 3}) molar ratio by keeping the amount of fuel as constant. The prepared samples were characterized by using X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Energy Dispersive Analysis X-ray Spectroscopy (EDAX). The effect of fuel to oxidizer molar ratio in the gel combustion method was investigated by inspecting the grain size of nano SnO{sub 2} powder. The grain size was found to be reduced with the amount of oxidizer increases from 0 to 6 moles in the step of 2. The X-ray diffraction patterns of the calcined product showed the formation of high purity tetragonal tin (IV) oxide with the grain size in the range of 12 to 31 nm which was calculated by Scherer's formula. Molar ratio and temperature dependence of DC electrical conductivity of SnO{sub 2} nanomaterial was studied using Keithley source meter. DC electrical conductivity of SnO{sub 2} nanomaterial increases with the temperature from 80K to 300K. From the study it was observed that the DC electrical conductivity of SnO{sub 2} nanomaterial decreases with the grain size at constant temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15 nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5 nm for Cu{sub 36}Zr{sub 64} and 3 nm for Cu{sub 64}Zr{sub 36}. The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu{sub 36}Zr{sub 64} yield/flow stress: 2.54 GPa/1.29 GPa and Cu{sub 64}Zr{sub 36} yield/flow stress: 3.57 GPa /1.58 GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Size-dependent structure and magnetic properties of DyMnO{sub 3} nanoparticles

The structure and magnetic properties of orthorhombic DyMnO{sub 3} nanoparticles with different particle sizes are investigated in this paper. With decreasing particle size, all the lattice parameters a, b, and c gradually decrease, whereas the orthorhombic distortion increases. Magnetic measurements reveal that the antiferromagnetic interaction of Mn ions is weakened due to the decrease in Mn-O-Mn bond angle. Above a critical field H*, DyMnO{sub 3} undergoes a field-induced metamagnetic transition at 4 K, which is related to the spin reversal of Dy moments. The critical field H* increases monotonically with size reduction, indicating an enhancement of the antiferromagnetic interaction of Dy ions due to the decreased distance between rare earth ions. The magnetization at 4 K and 5 T, i.e., M(4 K, 5 T) shows a non-monotonic variation with particle size d, i.e., M(4 K, 5 T) initially increases with size reduction but decreases again for d < 68 nm. A modified core-shell model, in which the ferromagnetic ordering (Dy magnetic structure) and antiferromagnetic ordering (Mn magnetic structure) coexist in the core, is proposed to explain this behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Particle size effects in particle-particle triboelectric charging studied with an integrated fluidized bed and electrostatic separator system

Fundamental studies of triboelectric charging of granular materials via particle-particle contact are challenging to control and interpret because of foreign material surfaces that are difficult to avoid during contacting and measurement. The measurement of particle charge itself can also induce charging, altering results. Here, we introduce a completely integrated fluidized bed and electrostatic separator system that charges particles solely by interparticle interactions and characterizes their charge on line. Particles are contacted in a free-surface fluidized bed (no reactor walls) with a well-controlled fountain-like flow to regulate particle-particle contact. The charged particles in the fountain are transferred by a pulsed jet of air to the top of a vertically-oriented electrostatic separator consisting of two electrodes at oppositely biased high voltage. The free-falling particles migrate towards the electrodes of opposite charge and are collected by an array of cups where their charge and size can be determined. We carried out experiments on a bidisperse size mixture of soda lime glass particles with systematically varying ratios of concentration. Results show that larger particles fall close to the negative electrode and smaller particles fall close to the positive electrode, consistent with theory and prior experiments that larger particles charge positively and smaller particles charge negatively. The segregation of particles by charge for one of the size components is strongest when its collisions are mostly with particles of the other size component; thus, small particles segregate most strongly to the negative sample when their concentration in the mixture is small (and analogous results occur for the large particles). Furthermore, we find additional size segregation due to granular flow, whereby the fountain becomes enriched in larger particles as the smaller particles are preferentially expelled from the fountain.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Switching times of nanoscale FePt: Finite size effects on the linear reversal mechanism

The linear reversal mechanism in FePt grains ranging from 2.316 nm to 5.404 nm has been simulated using atomistic spin dynamics, parametrized from ab-initio calculations. The Curie temperature and the critical temperature (T{sup *}), at which the linear reversal mechanism occurs, are observed to decrease with system size whilst the temperature window T{sup *}<T<T{sub C} increases. The reversal paths close to the Curie temperature have been calculated, showing that for decreasing system size the reversal path becomes more elliptic at lower temperatures, consistent with the decrease in the Curie temperature arising from finite size effects. Calculations of the minimum pulse duration show faster switching in small grains and are qualitatively described by the Landau-Lifshitz-Bloch equation with finite size atomistic parameterization, which suggests that multiscale modeling of FePt down to a grain size of ≈3.5 nm is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Size effects in the magnetic properties of ε-Fe{sub 2}O{sub 3} nanoparticles

We report the results of comparative analysis of magnetic properties of the systems based on ε-Fe{sub 2}O{sub 3}, nanoparticles with different average sizes (from ∼3 to 9 nm) and dispersions. The experimental data for nanoparticles higher than 6–8 nm in size are consistent with the available data, specifically, the transition to the magnetically ordered state occurs at a temperature of ∼500 K and the anomalies of magnetic properties observed in the range of 80–150 K correspond to the magnetic transition. At the same time, Mőssbauer and ferromagnetic resonance spectroscopy data as well as the results of static magnetic measurements show that at room temperature all the investigated samples contain ε-Fe{sub 2}O{sub 3} particles that exhibit the superparamagnetic behavior. It was established that the magnetic properties of nanoparticles significantly change with a decrease in their size to ∼6 nm. According to high-resolution electron microscopy and Mőssbauer spectroscopy data, the particle structure can be attributed to the ε–modification of trivalent iron oxide; meanwhile, the temperature of the magnetic order onset in these particles is increased, the well-known magnetic transition in the range of 80–150 K does not occur, the crystallographic magnetic anisotropy constant is significantly reduced, and the surface magnetic anisotropy plays a decisive role. This is apparently due to redistribution of cations over crystallographic positions with decreasing particle size, which was established using Mössbauer spectra. As the particle size is decreased and the fraction of surface atoms is increased, the contribution of an additional magnetic subsystem formed in a shell of particles smaller than ∼4 nm becomes significant, which manifests itself in the static magnetic measurements as paramagnetic contribution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Particle size effect on microwave absorbing of La{sub 0.67}Ba{sub 0.33}Mn{sub 0.94}Ti{sub 0.06}O{sub 3} powders prepared by mechanical alloying with the assistance of ultrasonic irradiation

Doped manganites have attracted substantial interest due to their unique chemical and physics properties, which makes it possible to be used for microwave absorbing materials. In this paper we report synthesizes and characterization of La{sub 0.67}Ba{sub 0.33}Mn{sub 0.94}Ti{sub 0.06}O{sub 3} powders prepared by mechanical alloying with the assistance of a high power ultrasonic treatment. After solid state reaction, the presence of single phase was confirmed by X-ray Diffraction (XRD). Refinement results showed that samples are single phase with monoclinic structure. It was found that powder materials derived from mechanical alloying results in large variation in the particle size. A significant improvement was obtained upon subjecting the mechanically milled powder materials to an ultrasonication treatment for a relatively short period of time. As determined by particle size analyzer (PSA), the mean particle size gradually decreased from the original size of 5.02 µm to 0.36 µm. Magnetic properties were characterized by VSM, and hysteresis loops results showed that samples are soft magnetic. It was found that when the mean particle size decreases, saturation was increases and coersitivity was decreases. Microwave absorption properties were investigated in the frequency range of 8-12 GHz using vector network analyzer. An optimal reflection loss of 24.44 dB is reached at 11.4 GHz.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

METER-SIZED MOONLET POPULATION IN SATURN'S C RING AND CASSINI DIVISION

Stellar occultations observed by the Cassini Ultraviolet Imaging Spectrograph reveal the presence of transparent holes a few meters to a few tens of meters in radial extent in otherwise optically thick regions of the C ring and the Cassini Division. We attribute the holes to gravitational disturbances generated by a population of {approx}10 m boulders in the rings that is intermediate in size between the background ring particle size distribution and the previously observed {approx}100 m propeller moonlets in the A ring. The size distribution of these boulders is described by a shallower power-law than the one that describes the ring particle size distribution. The number and size distribution of these boulders could be explained by limited accretion processes deep within Saturn's Roche zone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE IMPORTANCE OF PHYSICAL MODELS FOR DERIVING DUST MASSES AND GRAIN SIZE DISTRIBUTIONS IN SUPERNOVA EJECTA. I. RADIATIVELY HEATED DUST IN THE CRAB NEBULA

Recent far-infrared (IR) observations of supernova remnants (SNRs) have revealed significantly large amounts of newly condensed dust in their ejecta, comparable to the total mass of available refractory elements. The dust masses derived from these observations assume that all the grains of a given species radiate at the same temperature, regardless of the dust heating mechanism or grain radius. In this paper, we derive the dust mass in the ejecta of the Crab Nebula, using a physical model for the heating and radiation from the dust. We adopt a power-law distribution of grain sizes and two different dust compositions (silicates and amorphous carbon), and calculate the heating rate of each dust grain by the radiation from the pulsar wind nebula. We find that the grains attain a continuous range of temperatures, depending on their size and composition. The total mass derived from the best-fit models to the observed IR spectrum is 0.019-0.13 M{sub Sun }, depending on the assumed grain composition. We find that the power-law size distribution of dust grains is characterized by a power-law index of 3.5-4.0 and a maximum grain size larger than 0.1 {mu}m. The grain sizes and composition are consistent with what is expected for dust grains formed in a Type IIP supernova (SN). Our derived dust mass is at least a factor of two less than the mass reported in previous studies of the Crab Nebula that assumed more simplified two-temperature models. These models also require a larger mass of refractory elements to be locked up in dust than was likely available in the ejecta. The results of this study show that a physical model resulting in a realistic distribution of dust temperatures can constrain the dust properties and affect the derived dust masses. Our study may also have important implications for deriving grain properties and mass estimates in other SNRs and for the ultimate question of whether SNe are major sources of dust in the Galactic interstellar medium and in external galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Infrared reflectance spectra: Effects of particle size, provenance and preparation

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectance spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.

Reflectance, Hemispherical reflectance, integratin↗
DOE OSTI2017

Synthetic Control of Crystallite Size of Silver Vanadium Phosphorous Oxide (Ag 0.50 VOPO 4 ·1.9H 2 O): Impact on Electrochemistry

Here, this report describes a synthetic approach to control the crystallite size of silver vanadium phosphorous oxide, Ag 0.50 VOPO 4 ·1.9H 2 O, and the impact on electrochemistry in lithium based batteries. Ag 0.50 VOPO 4 ·1.9H 2 O was synthesized using a stirred hydrothermal method over a range of temperatures. X-ray diffraction (XRD) was used to confirm the crystalline phase and the crystallite size sizes of 11, 22, 38, 40, 49, and 120 nm. Particle shape was plate-like with edges <1 micron to >10 microns. Under galvanostatic reduction the samples with 22 nm crystallites and 880 nm particles produced the highest capacity, ~25% more capacity than the 120 nm sample. Notably, the 11 nm sample resulted in reduced delivered capacity and higher resistance consistent with increased grain boundaries contributing to resistance. Under intermittent pulsing ohmic resistance decreased with increasing crystallite size from 11 nm to 120 nm implying that electrical conduction within a crystal is more facile than between crystallites and across grain boundaries. Finally, this systematic study of material dimension shows that crystallite size impacts deliverable capacity as well as cell resistance where both interparticle and intraparticle transport are important.

25 ENERGY STORAGE↗
DOE OSTI2019

Analytical Solutions for Precipitation Size Distributions at Steady State

Analytical solutions are derived for the steady-state size distributions of precipitating rain and snow particles assuming growth via collection of suspended cloud particles. Application of the Liouville equation to the transfer of precipitating mass through size bins in a “cascade” yields a characteristic gamma distribution with a Marshall–Palmer exponential tail with respect to particle diameter. For rain, the principle parameters controlling size distribution shape are cloud droplet liquid water path and cloud updraft speed. Stronger updrafts lead to greater concentrations of large precipitating drops and a peak in the size distribution. The solutions provide a means for relating size distributions measured in the air or on the ground to cloud bulk microphysical and dynamic properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Process R&D for Particle Size Control of Molybdenum Oxide

The primary goal of this study was to produce MoO 3 powder with a particle size range of 50 to 200 μm for use in targets for production of the medical isotope 99 Mo. Molybdenum metal powder is commercially produced by thermal reduction of oxides in a hydrogen atmosphere. The most common source material is MoO 3 , which is derived by the thermal decomposition of ammonium heptamolybdate (AHM). However, the particle size of the currently produced MoO 3 is too small, resulting in Mo powder that is too fine to properly sinter and press into the desired target. In this study, effects of heating rate, heating temperature, gas type, gas flow rate, and isothermal heating were investigated for the decomposition of AHM. The main conclusions were as follows: lower heating rate (2-10°C/min) minimizes breakdown of aggregates, recrystallized samples with millimeter-sized aggregates are resistant to various heat treatments, extended isothermal heating at >600°C leads to significant sintering, and inert gas and high gas flow rate (up to 2000 ml/min) did not significantly affect particle size distribution or composition. In addition, attempts to recover AHM from an aqueous solution by several methods (spray drying, precipitation, and low temperature crystallization) failed to achieve the desired particle size range of 50 to 200 μm. Further studies are planned.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Particle size of several plutonium-238 oxide fuel samples from oxalate precipitation processes

Particle size of 238 PuO 2 powders is an important factor in determining the structural integrity of fuel pellets hot-pressed from the oxide powder. Understanding the evolution of particle size during aqueous processing is a first step in assuring control of particle size throughout the pellet formation process. Measured particle sizes are reported here, and discussed in terms of measured particle size changes occurring during calcining, observed aggregation of particulate, and particle morphology. Morphology and aggregation are related to surface energy, which governs granule formation and hot pressing behavior. Results are discussed in terms of reported dependence of oxide morphology on process temperatures and reagent concentrations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Effect of Domain Size, Boundary, and Loading Conditions on Mechanical Properties of Amorphous Silica: A Reactive Molecular Dynamics Study

Mechanical properties are very important when choosing a material for a specific application. They help to determine the range of usefulness of a material, establish the service life, and classify and identify materials. The size effect on mechanical properties has been well established numerically and experimentally. However, the role of the size effect combined with boundary and loading conditions on mechanical properties remains unknown. In this paper, by using molecular dynamics (MD) simulations with the state-of-the-art ReaxFF force field, we study mechanical properties of amorphous silica (e.g., Young’s modulus, Poisson’s ratio) as a function of domain size, full-/semi-periodic boundary condition, and tensile/compressive loading. We found that the domain-size effect on Young’s modulus and Poisson’s ratio is much more significant in semi-periodic domains compared to full-periodic domains. The results, for the first time, revealed the bimodular and anisotropic nature of amorphous silica at the atomic level. We also defined a “safe zone” regarding the domain size, where the bulk properties of amorphous silica can be reproducible, while the computational cost and accuracy are in balance.

bimodular materials↗