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At least 775 records · Page 43

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DOE OSTI2018

Quantitative characterization of all single amino acid variants of a viral capsid-based drug delivery vehicle

Self-assembling proteins are critical to biological systems and industrial technologies, but predicting how mutations affect self-assembly remains a significant challenge. Here, we report a technique, termed SyMAPS (Systematic Mutation and Assembled Particle Selection), that can be used to characterize the assembly competency of all single amino acid variants of a self-assembling viral structural protein. SyMAPS studies on the MS2 bacteriophage coat protein revealed a high-resolution fitness landscape that challenges some conventional assumptions of protein engineering. An additional round of selection identified a previously unknown variant (CP[T71H]) that is stable at neutral pH but less tolerant to acidic conditions than the wild-type coat protein. The capsids formed by this variant could be more amenable to disassembly in late endosomes or early lysosomes—a feature that is advantageous for delivery applications. In addition to providing a mutability blueprint for virus-like particles, SyMAPS can be readily applied to other self-assembling proteins.

36 MATERIALS SCIENCE↗

DOE OSTI2017

TUNABLE IRRADIATION TESTBED

PNNL has developed and continues to develop innovative methods for characterizing irradiated materials from nuclear reactors and particle accelerators for various clients and collaborators around the world. The continued development of these methods, in addition to the ability to perform unique scientific investigations of the effects of radiation on materials could be greatly enhanced with easy access to irradiation facilities. A Tunable Irradiation Testbed with customized targets (a 30 MeV, 1mA cyclotron or similar coupled to a unique target system) is shown to provide a much more flexible and cost-effective source of irradiating particles than a test reactor or isotopic source. The configuration investigated was a single shielded building with multiple beam lines from a small, flexible, high flux irradiation source. Potential applications investigated were the characterization of radiation damage to materials applicable to advanced reactors, fusion reactor, legacy waste, (via neutron spectra tailored to HTGR, molten salt, LWR, LMR, fusion environments); 252Cf replacement; characterization of radiation damage to materials of interest to High Energy Physics to enable the neutrino program; and research into production of short lived isotopes for potential medical and other applications.

Wootan, David W.↗

DOE OSTI2017

TUNABLE IRRADIATION TESTBED

Wootan, David W.↗

DOE OSTI2017

In-situ photo-reduction of silver particles and their SPR effect in enhancing the photocatalytic water splitting of Ag{sub 2}O/TiO{sub 2} photocatalysts under solar light irradiation: A case study

Highlights: • Visible light induced SPR bands confirmed the Plasmonic resonance behaviour of Ag. • Appreciable band gap reduction of TiO{sub 2} due to in-situ photoreduction of Ag{sub 2}O to Ag. • H{sub 2}-TPR emphasized the strong interaction between Ag and TiO{sub 2}. • Ag/TiO{sub 2} witnessed 76.6 folds improved H{sub 2} production rate than P25-TiO{sub 2}. - Abstract: Plasmonic Ag{sub 2}O/TiO{sub 2} photocatalysts were synthesized by impregnating silver oxide nano clusters over the surface of TiO{sub 2}. It is found that the in-situ photo reduced silver particles showed visible light absorption in a wide range of wavelength 400–800 nm due to localized surface plasmon resonance. The in-situ formed metallic silver transfer electrons to the TiO{sub 2} through SPR excitation and thus improving photocatalytic hydrogen production. The SPR behavior of silver particles on TiO{sub 2} was characterized by UV–vis diffuse reflectance spectroscopy and the X-ray photoelectron spectroscopy confirms the metallic silver. X-ray diffraction and transmission electron microscopy confirm the crystallinity of the prepared samples. H{sub 2}-temperature-programmed reduction, photoluminescence, electron paramagnetic resonance, infrared spectroscopy, BET-surface area and Raman spectra were used to understand the morphological and chemical nature of the catalysts. Among the samples, 1 wt% Ag/TiO{sub 2} showed the best activity ca. ∼23 mmol g{sup −1} in presence of glycerol scavenger.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Magnetization Distribution in Particles with Configuration Anisotropy, Prepared via Microsphere Lithography

The arrays of permalloy particles with shape anisotropy, prepared via microsphere lithography, have been characterized using atomic force microscopy and magnetic force microscopy. The size effect from spherical particles used as the lithographic mask on the magnetization distribution in the produced particles has been investigated. The magnetic force images of particles have been simulated in order to obtain quantitative values. A comparison of shape reproducibility of particles prepared using microsphere lithography and scanning probe lithography is performed as well.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

High-speed particle analysis using forward and backward two-dimensional angular optical scattering

Measurement of two-dimensional angle-resolved optical scattering (TAOS) patterns is an attractive technique for detecting and characterizing micron-sized high-speed flying particles. The elastic-scattering intensity pattern from a single particle as a function of spherical coordinate angles θ and ϕ provides detailed information on the particle’s morphology. By use of an ellipsoidal reflector and a high-speed CCD camera, scattering from a CW-laser was detected and resolved over a large angular range (θ from 12° to 168° and ϕ from 0° to 360°) from spherically shaped particles (e.g., amorphous silica and borosilicate glass) flowing through the reflector’s focal plane at speeds of 20 to 30 m/s. The scattering pattern from individual particles flying through the focal plane of the ellipsoid mirror provides insights about a particle’s size, clustering, roughness, and velocity.

Optics and optical instruments↗

DOE OSTI2018

Cold rolling texture evolution of TiB2 particle reinforced Al-based composites by Neutron Diffraction and EBSD analysis

Highlights: • Texture development of in-situ TiB{sub 2} particle reinforced Al matrix composites after cold rolling were characterized. • The sum of rolling texture volume fractions has been significantly reduced by the weak texture in particle deformation zone. • Recrystallization nuclei with the Cube and Rotated-Cube orientations were observed in the particle deformation zones. • Small TiB{sub 2} particles within Al grains kept the parallel relationship with surrounding matrix during the deformation. - Abstract: Texture development of particle-reinforced metal matrix materials (P-MMCs) has not been understood well, especially the effects of second-phase particles during the deformation. In this work, we have investigated the texture evolution of TiB{sub 2}/Al composites during cold rolling by Neutron Diffraction and EBSD analysis. Two forms of TiB{sub 2} particles influenced the texture evolution in different ways. The particle-clusters aggregated along grain boundaries led to a reduction of texture volume fraction; recrystallization nuclei with weak texture appeared around these particle-clusters. Small non-shearable TiB{sub 2} particles dispersed inside Al matrix contributed to strong Copper texture component at high strains; the individual particles rotated together with Al matrix during the deformation. These revealed effects of particles on the texture development in TiB{sub 2}/Al composites provide a reference for the texture control of P-MMCs.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Development of a Flow-through Cell for Ultrasonic Extraction (UE)─Single Particle (SP)─ICP-MS─an Approach for Nano/Microparticle Elemental and Isotopic Analysis

Nanotechnology is a salient part of the scientific landscape, and analytical approaches are rapidly evolving to enable small-scale characterization of nano- and microparticle compositions and impurities. Here, a flow-through sonicating cell was developed for direct particle extraction from a silicon wafer and integrated with an inductively coupled plasma–mass spectrometer (ICP-MS) for subsequent elemental and isotopic characterization of the released particles. Ultrasonic extraction (UE)─single particle (SP)─ICP-MS offers controlled particle mobilization from solid substrates and allows for increased sample throughput by eliminating the need for pre-extraction of particles and decreasing sample preparation steps. Coupling this device to an ICP-MS with a time-of-flight (TOF) mass analyzer, it is possible to distinguish unique isotopic compositions of the particles. Both tungsten and nickel isotopically tagged particles, which were deposited on Si wafers, are presented here with analysis via UE─SP─ICP-MS. This approach could support efforts in the fields of particle synthesis, nuclear safeguards and forensics, environmental monitoring, and semiconductor industries in which the detection of particles from substrates and wafers is critical.

Paul, Molly [ORNL] (ORCID:0009000009672055)↗

NASA NTRS1990

Infrared spectroscopy and Mie scattering of acetylene aerosols formed in a low temperature diffusion cell

A method is described for forming and spectroscopically characterizing cryogenic aerosols formed in a low temperature gas cell. By adjusting the cell pressure, gas composition and flow rate, the size distribution of aerosol particles can be varied over a wide range. The combination of pressure and flow rate determine the residence time of the aerosols in the cell and hence the time available for the particles to grow. FTIR spectroscopy, over the range from 600/cm to 6000/cm, is used to characterize the aerosols. The particle size distribution can be varied so that, at one extreme, the spectra show only absorption features associated with the infrared active vibrational bands and, at the other, they display both absorption and Mie scattering. In the latter case, Mie scattering theory is used to obtain semiquantitative aerosol size distributions, which can be understood in terms of the interplay between nucleation and condensation. In the case of acetylene aerosols, the infrared spectra suggest that the particles exist in the high temperature cubic phase of the solid.

Dunder, T.↗

NASA NTRS1998

Scaling Properties of Particle Density Fields Formed in Simulated Turbulent Flows

Direct numerical simulations (DNS) of particle concentrations in fully developed 3D turbulence were carried out in order to study the nonuniform structure of the particle density field. Three steady-state turbulent fluid fields with Taylor microscale Reynolds numbers (Re(sub lambda)) of 40, 80 and 140 were generated by solving the Navier-Stokes equations with pseudospectral methods. Large scale forcing was used to drive the turbulence and maintain temporal stationarity. The response of the particles to the fluid was parameterized by the particle Stokes number St, defined as the ratio of the particle's stopping time to the mean period of eddies on the Kolmogorov scale (eta). In this paper, we consider only passive particles optimally coupled to these eddies (St approx. = 1) because of their tendency to concentrate more than particles with lesser or greater St values. The trajectories of up to 70 million particles were tracked in the equilibrated turbulent flows until the particle concentration field reached a statistically stationary state. The nonuniform structure of the concentration fields was characterized by the multifractal singularity spectrum, f(alpha), derived from measures obtained after binning particles into cells ranging from 2(eta) to 15(eta) in size. We observed strong systematic variations of f(alpha) across this scale range in all three simulations and conclude that the particle concentration field is not statistically self similar across the scale range explored. However, spectra obtained at the 2(eta), 4(eta), and 8(eta) scales of each flow case were found to be qualitatively similar. This result suggests that the local structure of the particle concentration field may be flow-Independent. The singularity spectra found for 2n-sized cells were used to predict concentration distributions in good agreement with those obtained directly from the particle data. This Singularity spectrum has a shape similar to the analogous spectrum derived for the inertial-range energy dissipation fields of experimental turbulent flows at Re(sub lambda) = 110 and 1100. Based on this agreement, and the expectation that both dissipation and particle concentration are controlled by the same cascade process, we hypothesize that singularity spectra similar to the ones found in this work provide a good characterization of the spatially averaged statistical properties of preferentially concentrated particles in higher Re(sub lambda) turbulent flows.

Hogan, Robert C.↗

NASA NTRS1985

Ariel 6 measurements of ultra-heavy cosmic ray fluxes in the region 34 or = Z or = 48

The Ariel VI satellite was launched by NASA on a Scout rocket on 3rd June 1979 from Wallops Island, Virginia, USA, into a near circular 625 km orbit inclined at 55 deg. It carried a spherical cosmic ray detector designed by a group from Bristol University. A spherical aluminum vessel of diameter 75 cm contains a gas scintillation mixture and a thin spherical shell of Pilot 425 plastic, and forms a single optical cavity viewed by 16 photomultipliers. Particle tracks through the detector may be characterized by their impact parameter p and by whether or not they pass through the cup of plastic scintillator placed between the sphere and the spacecraft body (referred to below as the Anti-Coincidence Detector or ACD). Individual particle charges are determined by separately measuring the gas scintillation and the Cerenkov emission from the plastic shell. This is possible because of the quite different distribution in time of these emissions.

Fowler, P. H.↗

NASA NTRS2015

Characterization of Apollo Regolith by X-Ray and Electron Microbeam Techniques: An Analog for Future Sample Return Missions

The Apollo missions collected 382 kg of rock and regolith from the Moon; approximately 1/3 of the sample mass collected was regolith. Lunar regolith consists of well mixed rocks, minerals, and glasses less than 1-centimeter n size. The majority of most surface regolith samples were sieved into less than 1, 1-2, 2-4, and 4-10- millimiter size fractions; a portion of most samples was re-served unsieved. The initial characterization and classification of most Apollo regolith particles was done primarily by binocular microscopy. Optical classification of regolith is difficult because (1) the finest fraction of the regolith coats and obscures the textures of the larger particles, and (b) not all lithologies or minerals are uniquely identifiable optically. In recent years, we have begun to use more modern x-ray beam techniques [1-3], coupled with high resolution 3D optical imaging techniques [4] to characterize Apollo and meteorite samples as part of the curation process. These techniques, particularly in concert with SEM imaging of less than 1-millimeter regolith grain mounts, allow for the rapid characterization of the components within a regolith.

Zeigler, Ryan A.↗

NASA NTRS1977

On the origin of extraterrestrial stratospheric particles: Interplanetary dust or meteor ablation debris?

Meteor ablation debris was distinguished from unablated interplanetary dust in a collection of extraterrestrial particles collected in the stratosphere using NASA U-2 aircraft. A 62 g sample of the Murchison (C2) meteorite was artificially ablated to characterize ablation debris for comparison with the stratospheric particles. By using proper experimental conditions, artificial ablation debris can be produced that is similar to natural ablation debris. Analyses of natural fusion crusts, artificial fusion crust, and artificial ablation debris of the Murchison meteorite produced criteria for recognizing debris ablated by a primitive meteoroid. Ninety-five percent of the stratospheric particles can be described as either ablation debris from a primitive meteoroid, or as very primitive interplanetary dust.

Kyte, F. T.↗

DOE OSTI2024

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Particles comprised of a thermal neutron absorbing material (HfAl3) are dispersed in a metal matrix material with high thermal conductivity (aluminum) to conduct the heat generated by neutron capture away from the fuel and materials. This metal matrix composite is very promising for use as a conduction-cooled neutron absorber and has the potential to be useful as a shroud or heat sink for testing advanced fast reactor fuels and materials in an existing thermal reactor. To design and optimize the absorber block system for advanced reactor designs, fundamental understanding of the irradiation effect on material properties is necessary. This dataset contains TEM characterization results of neutron irradiated HfAl3-Al composite specimens. It is focused on the irradiation induced defects (dislocation lines and loops) characterization using the on-zone axis bright field STEM technique. This data was collected using a FEI Tecnai G2 F30 S/TEM at the Microscopy and Characterization Suite (MaCS), Center for Advanced Energy Studies (CAES).

Guillen, Donna↗

DOE OSTI2024

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Guillen, Donna↗

DOE OSTI2023

Microphysics of liquid water in sub-10 nm ultrafine aerosol particles

Abstract. Ultrafine aerosol particles with sizes smaller than 50 nm have been shown in recent studies to serve as a large source of cloud condensation nuclei that can promote additional cloud droplet formation under supersaturation conditions. Knowledge of the microphysics of liquid water in these droplets remains limited, particularly in the sub-10 nm particle size range, due to experimental and theoretical challenges associated with the complexity of aerosol components and the small length scales of interest (e.g., difficulty of precisely sampling the liquid–air interface, questionable validity of mean-field theoretical representations). Here, we carried out molecular dynamics (MD) simulations of aerosol particles with diameters between 1 and 10 nm and characterized atomistic-level structure and water dynamics in well-mixed and phase-separated systems with different particle sizes, NaCl salinities, and pimelic acid (PML) organic surface loadings as a function of distance from the time-averaged Gibbs dividing interface or instantaneous water–air interface. We define a sphericity factor (ϕ) that can shed light on the phase-mixing state of nanodroplets, and we reveal an unexpected dependence of mixing state on droplet size. Our results also evidence an ion concentration enhancement in ultrafine aerosols, which should modulate salt nucleation kinetics in sub-10 nm droplets, and provide detailed characterization of the influence of droplet size on surface tension and on water self-diffusivity near the interface. Analysis of water evaporation free energy and water activity demonstrates the validity of the Kelvin equation and Köhler theory at droplet sizes larger than 4 nm under moderate salinities and organic loadings and the need for further extension to account for ion concentration enhancement in sub-10 nm aerosols, droplet-size-dependent phase separation effects, and a sharp decrease in the cohesiveness of liquid water in sub-4 nm droplets. Finally, we show that an idealized fractional surface coating factor (fs) can be used to categorize and reconcile water accommodation coefficients (α*) observed in MD simulations and experimental results in the presence of organic coatings, and we resolve the droplet size dependence of α*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Toward Exploring the Synergy Between Cloud Radar Polarimetry and Doppler Spectral Analysis in Deep Cold Precipitating Systems in the Arctic

The study of Arctic ice and mixed-phase clouds, which are characterized by a variety of ice particle types in the same cloudy volume, is challenging research. This study illustrates a new approach to qualitative and quantitative analysis of the complexity of ice and mixed-phase microphysical processes in Arctic deep precipitating systems using the combination of Ka-band zenith-pointing radar Doppler spectra and quasi-vertical profiles of polarimetric radar variables measured by a Ka/W-band scanning radar. The results illustrate the frequent occurrence of multimodal Doppler spectra in the dendritic/planar growth layer, where locally generated, slower-falling particle populations are well separated from faster-falling populations in terms of Doppler velocity. The slower-falling particle populations contribute to an increase of differential reflectivity (Z DR ), while an enhanced specific differential phase (K DP ) in this dendritic growth temperature range is caused by both the slower and faster-falling particle populations. Another area with frequent occurrence of multimodal Doppler spectra is in mixed-phase layers, where both populations produce Z DR and K DP values close to 0, suggesting the occurrence of a riming process. A Joint analysis of the Doppler spectra and the polarimetric radar variables provides important insight into the microphysics of snow formation and allows the separation of the contributions of ice of different habits to the values of reflectivity and Z DR .

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

High‐Nickel Heterostructured Cathodes with Local Stoichiometry Control for High‐Voltage Operation

The growing demand for lithium‐ion batteries to power electric vehicles and other energy‐dense devices continues to fuel the need for cathodes of increasingly higher nickel in cathodes. The relentless pursuit of high Ni content, however, raises concerns on compromising cell lifetime and safety, especially under high‐voltage operation. Alternative to the traditional design of uniform or core–shell composition, we report a rational control of local stoichiometry in high‐Ni cathodes, enabling their high thermal and cycling stabilities—up to 258 °C at the fully charged state and 91.4% capacity retention for 100 cycles between 2.7 and 4.4 V. Multimodal synchrotron X‐ray characterization unveils the heterostructure of secondary particles, featuring a high‐Ni core (LiNi 0.90 Mn 0.05 Co 0.05 O 2 ) covered by a thin Ni‐gradient layer that remains stable over prolonged cycling due to suppressed oxygen release and structural deterioration. This work underlines, the intricate interplay between local stoichiometry and redox reactions in stabilizing high‐Ni cathodes for high‐voltage operation while ensuring safety.

36 MATERIALS SCIENCE↗