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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Correlation of optical properties with particle size, morphology, and polymorph of fine- and nano-particle formulations of titanium dioxide powders

Titanium dioxide (TiO 2 ) particulates are known to exhibit different visible and infrared optical properties compared to the bulk material, showing strong dependence on particle size, crystal structure, and morphology. In this study, the optical properties, sizes, and morphologies of TiO 2 particles from two different sources (nano and fine powders) having a) nominally different particle sizes and b) various crystal polymorph mixture fractions are compared using a combination of single particle mass spectrometry, optical spectroscopies, and aerosol characterization methods. The nano sample was found to be largely particles of the anatase polymorph (88% by mass), while the fine sample was found to consist largely of rutile particles (95% by mass). Two distinct particle morphologies (fractal and compact) were found in each powder sample and could be identified and separated in-situ based on particle aerodynamic properties. The attenuation of near-infrared, visible and ultraviolet light by TiO 2 particles shows strong dependence on particle morphology. Furthermore, while the fine particles were found to have larger near-infrared (675–800 nm) extinction coefficients by mass than the nanoparticles, the reverse was true in the ultraviolet and visible regions (370–675 nm). However, for polydisperse particles with different sizes and shapes, the optical behaviors are not straightforward to directly correlate to a combination of physical parameters.

Lockwood, Schuyler P. [Pacific Northwest National ↗
DOE OSTI2022

Effect of amine type on acidic toxic gas adsorption at ambient conditions on modified CuBTC

We report two amine-modified copper-based Metal Organic Frameworks (MOF (CuBTC)) of different surface chemical and textural features were synthesized and used as adsorbents of acidic toxic gases (NO 2 and H 2 S) in both moist (71% relative humidity (R.H.)) and dry conditions. The initial and exhausted samples were characterized by nitrogen adsorption, powder X-ray diffraction, scanning electron microscopy, thermal gravimetric analysis and Fourier transform infrared spectroscopy. The addition of melamine prevented full growth of CuBTC crystals and resulted in amorphous-like particles with sizes less than 200 nm. The material was non-porous with a small surface area. When urea was used as an amine source, the resulting particles maintained the overall octahedral shape of the parent CuBTC MOF and the material was more porous than the parent MOF. While the urea-modified CuBTC sample performed well as an NO 2 adsorbent in the presence of moisture, the reactivity of the melamine-modified sample and its physical properties provided a favorable environment for the removal of H 2 S. The incorporation of amines into the MOF structure also resulted in surface defects /open copper sites that favored the removal of toxic gases in dry conditions. The reactivity of the adsorbents with toxic gases was demonstrated by the changes in the adsorbent colors, in texture, and in surface chemistry (organic salts, complexes, sulfides and nitrates were formed).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Modeling the migration of platinum nanoparticles on surfaces using a kinetic Monte Carlo approach

We propose a kinetic Monte Carlo (kMC) model for simulating the movement of platinum particles on supports, based on atom-by-atom diffusion on the surface of the particle. The proposed model was able to reproduce equilibrium cluster shapes predicted using Wulff-construction. The diffusivity of platinum particles was simulated both purely based on random motion and assisted using an external field that causes a drift velocity. The overall particle diffusivity increases with temperature; however, the extracted activation barrier appears to be temperature independent. Additionally, this barrier was found to increase with particle size, as well as, with the adhesion between the particle and the support.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration R g is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. As a result, the developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chirality locking charge density waves in a chiral crystal

In Weyl semimetals, charge density wave (CDW) order can spontaneously break the chiral symmetry, gap out the Weyl nodes, and drive the material into the axion insulating phase. Investigations have however been limited since CDWs are rarely seen in Weyl semimetals. Here, using scanning tunneling microscopy/spectroscopy (STM/S), we report the discovery of a novel unidirectional CDW order on the (001) surface of chiral crystal CoSi – a unique Weyl semimetal with unconventional chiral fermions. The CDW is incommensurate with both lattice momentum and crystalline symmetry directions, and exhibits an intra unit cell π phase shift in the layer stacking direction. The tunneling spectrum shows a particle-hole asymmetric V-shaped energy gap around the Fermi level that modulates spatially with the CDW wave vector. Combined with first-principle calculations, we identify that the CDW is locked to the crystal chirality and is related by a mirror reflection between the two enantiomers of the chiral crystal. Our findings reveal a novel correlated topological quantum state in chiral CoSi crystals and raise the potential for exploring the unprecedented physical behaviors of unconventional chiral fermions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Perspectives on relativistic electron–positron pair plasma experiments of astrophysical relevance using high-power lasers

The study of relativistic electron–positron pair plasmas is both of fundamental physics interest and important to understand the processes that shape the magnetic field dynamics, particle acceleration, and radiation emission in high-energy astrophysical environments. Although it is highly desirable to study relativistic pair plasmas in the laboratory, their generation and control constitutes a critical challenge. Significant experimental and theoretical progress has been made over recent years to explore the use of intense lasers to produce dense relativistic pair plasma in the laboratory and study the basic collective plasma processes associated with these systems. Important challenges remain in terms of improving the number of pairs, system size, and control over the charge neutrality required to establish laboratory platforms that can expand our understanding of relativistic pair plasma and help validate underlying models in conditions relevant to high-energy astrophysical phenomena. Furthermore, we highlight recent progress in this field, discuss the main challenges, and the exciting prospects for studying relativistic pair plasmas and astrophysics relevant instabilities in the laboratory in the near future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Measurements of Non-Maxwellian Electron Distribution Functions and Their Effect on Laser Heating

Electron velocity distribution functions driven by inverse bremsstrahlung heating are measured to be non-Maxwellian using a novel angularly resolved Thomson-scattering instrument and the corresponding reduction of electrons at slow velocities results in a ~40% measured reduction in inverse bremsstrahlung absorption. The distribution functions are measured to be super-Gaussian in the bulk (v/v th < 3) and Maxwellian in the tail (v/v th > 3) when the laser heating rate dominates over the electron-electron thermalization rate. Furthermore, simulations with the particle code quartz show the shape of the tail is dictated by the uniformity of the laser heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

An evaluation of size-resolved cloud microphysics scheme numerics for use with radar observations Part II: Condensation and evaporation

Accurate numerical modeling of clouds and precipitation is essential for weather forecasting and climate change research. While size-resolved (bin) cloud microphysics models predict particle size distributions without imposing shapes, results are subject to artificial size distribution broadening owing to numerical diffusion associated with various processes. Whereas Part I of this study addressed collision–coalescence, here we investigate numerical diffusion that occurs in solving condensation and evaporation. In a parcel model framework, all of the numerical schemes examined converge to one solution of condensation and evaporation as the mass grid is refined, and the advection-based schemes are recommended over the reassigning schemes. Including Eulerian vertical advection in a column limits the convergence to some extent, but that limitation occurs at a sufficiently fine mass grid, and the number of iterations in solving vertical advection should be minimized to reduce numerical diffusion. Insubstantial numerical diffusion in solving condensation can be amplified if collision–coalescence is also active, which in turn can be substantially diminished if turbulence effects on collision are incorporated. Here, large-eddy simulations of a drizzling stratocumulus field reveal that changes in moments of Doppler spectra obtained using different mass grids are consistent with those obtained from the simplified framework, and that spectral moments obtained using a mass grid designed to effectively reduce numerical diffusion are generally closer to observations. Notable differences between the simulations and observations still exist, and our results suggest a need to consider whether factors other than numerical diffusion in the fundamental process schemes employed can cause such differences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Biosynthesis of Zinc Oxide Nanoparticles using Fungal Filtrates

Fungi produce and excrete various proteins, enzymes, and polysaccharides, which may be used for the synthesis of nanoparticles. This study investigated the effect an anion species on the synthesis of ceramic nanoparticles using fungal filtrates. In this work, ceramic zinc oxide (ZnO) nanoparticles ranging between 1 nm and 1000 nm were successfully synthesized using three different filamentous fungi: Aspergillus sp., Penicillium sp., and Paecilomyces variotti. Each fungus was cultured, and the filtrate was extracted and individually exposed to zinc nitrate, zinc sulfate, or zinc chloride. The formation of nanoparticles was characterized using UV-visible spectrophotometry (UV-Vis), fluorescence microscopy, and with transmission electron microscopy (TEM) analyses. UV-Vis spectra exhibited broad increases in the absorption across the range of 200 nm - 800 nm, which corresponded to the formation of ZnO nanoparticles under various conditions. Nanoparticle formation was confirmed with fluorescence microscopy and TEM analysis and determined to form particles with an irregular spherical shape. To date, our work demonstrates that the ability of fungi to synthesize ZnO nanoparticles is not genus/species-specific but is dependent on the starting composition of a given metal salt.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Hardness Measurements and Interface Behavior of SiC-B 4 C-Si Multiple Phase Particulate Composites Made with Melt Infiltration and Additive Manufacturing

Reaction-bonded SiC-B 4 C-Si ceramic composites were binder jet 3D-printed and subsequently pressureless-melt-infiltrated with molten Si. The addition of B 4 C aided the Si infiltration to produce a highly dense composite. The microstructures and phases of these composites were examined. The measured hardness values of each constituent with Vickers and nanoindentation matched the bulk values, and the macro-hardness values with Knoop and spherical indentation represented the bulk, composite hardness values of all three phases together, which was close to a rule of mixtures value. For particulate-based composites, this is a significant finding. The interfacial bonds of SiC and Si were imaged using scanning transmission electron microscopy to view intimacy, whereas the crack propagation was examined with carefully placed indents. This work demonstrated that pressureless melt infiltration with a reactive particle provides a method to shape non-wetting reaction-bonded ceramic composites with limited shrinkage and high density and provides insights into the mechanical behavior with numerous indentation techniques.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Nuclear composition and energy spectra in the 1969 April 12 solar-particle event.

Measurement of the charge composition for several of the multicharged nuclei and the energy spectra for hydrogen, helium, and medium (6 less than or equal to Z less than or equal to 9) nuclei in the Apr. 12, 1969, solar-particle event. The energy/nucleon spectral shape of the medium nuclei was again the same as that of the helium nuclei, and the ratio of these two species was consistent with the present best average of 58 plus or minus 5. By combining the results obtained here with previous work, improved estimates of the Ne/O and Mg/O values of 0.16 plus or minus 0.03 and 0.056 plus or minus 0.014, respectively, were obtained. Silicon and sulfur abundances relative to O were determined to be 0.208 plus or minus 0.008 plus or minus 0.006, respectively, and 85% confidence upper limits for Ar and Ca relative to O of 0.017 and 0.010 were obtained. Previously, these last four nuclei had only been listed as a group.

Bertsch, D. L.↗
NASA NTRS1972

CESEMI studies of Apollo 14 and 15 fines.

Quantitative size and shape analyses have been carried out on six lunar fines from Apollo 14 and 15 by computer evaluation of scanning electron microscope images (CESEMI). For the size range of 0.50 to 30 microns diameter, the distributions are log-normal on a number count basis. This finding is in contrast with results for coarser materials in the fines reported by King et al. suggesting the operation of a different process. Aspect ratios range from 0.1 to 1.0 with an average value of about 0.6. Only slight differences are observed among samples. A shape complexity factor (ratio of particle perimeter to ellipse perimeter) also varies only slightly among the six samples.

Gorz, H.↗
NASA NTRS1978

Miniregoliths. I - Dusty lunar rocks and lunar soil layers

A detailed Monte-Carlo model for rock surface evolution shows that erosion processes alone cannot account for the shapes of the solar flare particle track profiles generally observed at depths of about 100 microns and less in rocks. The observed profiles are easily explained by a steady accumulation of fine dust at a rate of 0.3 to 3 mm per m.y., depending on the micrometeoroid impact rate which controls the dust cover and results in maximum dust thicknesses on the order of 100 microns to 1 mm. The commonly used lunar soil track parameters are derived in terms of parameters characterizing the exposure of soil grains in the few-millimeter-thick surface mixing and maturation zone which is one form of miniregolith. Correlation plots permit determining the degree of mixing in soil samples and the amount of processing (maturation) in surface miniregoliths. It is shown that the sampling process often artificially mixes together finer distinct layers, and that ancient miniregolith layers on the order of a millimeter thick are probably common in the lunar soil.

Comstock, G. M.↗
NASA NTRS1982

On the stability of Schwarzschild's triaxial galaxy model

The numerical model for a triaxial galaxy constructed by Schwartzschild (1979) has been tested by means of fully self-consistent three-dimensional n-body numerical experiments that use a representation of this model to start the integration. The integration, study models, initial load, and correcting potential of the experiment are detailed. Preliminary checks included density values, potential values, and integration in potential of an ideal model. The results showed some particle loss and no significant shape change. The model is rugged and robust, and no growing disturbances with growth rate in excess of 0.5 per crossing time could be detected. Runs were done at 50 percent excess halo and with tube orbits reversed.

Smith, B. F.↗
NASA NTRS1983

The three micron 'ice' band in grain mantles

Attention is given to the influence of different mantle constituents on extinction and polarization due to H2O absorption in grain mantles, particularly the 3250/cm band. With respect to BN, the simultaneous reproduction of the extinction and polarization band shapes occurs by normal size particles containing mixtures of H2O with other molecules. As regards the 3-micron absorption in OH 231.8 plus 4.2, the data can be best fitted with pure amorphous H2O grains which have been heated to (or created at) about 80 K. The variation in grain mantle composition between young stellar objects and late-type stars loosing mass is attributed to a fundamental difference in grain formation and evolution.

Hagen, W.↗
NASA NTRS1984

The generation and propagation of internal gravity waves in a rotating fluid

The present investigation is concerned with an extension of a study conducted bu Maxworthy (1979) on internal wave generation by barotropic tidal flow over bottom topography. A short series of experiments was carried out during a limited time period on a large (14-m diameter) rotating table. It was attempted to obtain, in particular, information regarding the plan form of the waves, the exact character of the flow over the obstacle, and the evolution of the waves. The main basin was a dammed section of a long free surface water tunnel. The obstacle was towed back and forth by a wire harness connected to an electronically controlled hydraulic piston, the stroke and period of which could be independently varied. Attention is given to the evolution of the wave crests, the formation of solitary wave groups the evolution of the three-dimensional wave field wave shapes, the wave amplitudes, and particle motion.

Maxworthy, T.↗
NASA NTRS1987

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

Gayda, J.↗