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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Particle size distributions in polar mesospheric clouds derived from solar mesosphere explorer measurements

Data from the visible and UV spectrometers on the Solar Mesosphere Explorer are used to derive the color ratios of the reflectance at 265, 296, and 393 nm of light scattered from polar mesospheric cloud particles. This analysis extends the spectral coverage into the visible region of the spectrum. The data reduction technique compared the cloud brightness to the brightness scattered from the background atmosphere at the same wavelength. The ratios determined in this way are independent of systematic errors in instrument radiometric calibration. The data are analyzed using theoretical determinations of the color ratios from the Mie theory of small particle scattering, assuming a lognormal distribution for the particle size dispersion. Here 'size' means the average radius of the sphere having the same ice volume. The present results confirm earlier findings that the effective sizes of polar mesospheric cloud particles are less than 70 nm. Still, there exists a small number of measurements which result in particle sizes of the order of 80 nm. Even for these large particle sizes the required vertical column content of water vapor does not exceed limits imposed by the available atmospheric water vapor concentrations.

Rusch, D. W.↗
NASA NTRS1991

Effects of grain size and shape in modeling reflectance spectra of mineral mixtures

The effects of grain size and shape on the reflectance spectra of mineral mixtures are investigated to improve a reflectance model called the isograin model, whose prototype was proposed by M. Kinoshita in 1985. The sample powder was assumed to consist of an infinite number of layers, each of which has the same thickness with the grain size d.

Hiroi, T.↗
DOE OSTI2022

Specimen Size and Geometry Effects on the Master Curve Fracture Toughness Measurements of EUROFER97 and F82H Steels

EUROFER97 and F82H are two leading reduced-activation ferritic-martensitic (RAFM) steels for fusion blanket applications. Exposure to the harsh environment of fusion reactors can result in severe degradation of materials fracture toughness (FT). Thus, the post-irradiation evaluation of FT is critical to understanding the material behavior. Due to the space constraint of irradiation facilities, the development of small specimen test techniques (SSTT) is necessary to evaluate the performance of irradiated materials. In this study, we evaluated the specimen size and geometry effects on the ductile-to-brittle transition FT of EUROFER97 batch-3 and F82H-BA12 steels. The specimen thicknesses ranged from 1.65 to 12.7 mm and the geometries included 1.65 mm bend bar, 4 mm mini-compact tension (miniCT), and 0.5T compact tension (CT) specimens. Fracture toughness testing and evaluations were performed using the Master Curve method in the ASTM E1921-19 standard. After size correction to 1T size using the Master Curve method, no specimen size effect was observed between the 4 mm miniCT and 0.5T CT specimens for the Master Curve reference temperature T0Q, while the bend bars yielded a higher T0Q. A strong effect of fatigue precrack front straightness on T0Q for 0.5T CT specimens was observed. The minimum number of specimens needed for each specimen geometry has been determined.

Chen, Xiang↗
DOE OSTI2022

Soil Respiration Response to Simulated Precipitation Change Depends on Ecosystem Type and Study Duration

Soil respiration—the flow of biologically-generated CO 2 from the soil surface to the atmosphere—is a major component of global carbon cycling, but the long-term response of this flux to altered precipitation regimes remains uncertain, due to different responses of soil respiration in distinct ecosystems with varying degrees of water limitation. We conducted a meta-analysis to determine the role of soil characteristics (organic carbon stock and clay content), study duration, and ecosystem type (e.g., forest, grassland, etc) in modifying the response of soil respiration to precipitation change. In general, decreased precipitation (N = 128 effect size pairs) decreased soil respiration rates. In contrast, increased precipitation (N = 141) had a more variable and on-average weak positive effect on this flux; significantly increasing soil respiration only in desert ecosystems. The long-term response of ecosystems varied, with those that are less constrained by water-availability (e.g., forests) showing acclimation over time to altered precipitation. Soil organic carbon stock strongly modified the response of soil respiration to decreased precipitation (p < 0.0001), but only weakly modified the response to increased precipitation (p < 0.01). Our results suggest that ecosystems with limited soil water-holding capacity and strong inherent water-limitation will show long-term dynamic change in soil respiration regardless of the direction of precipitation change.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Air shower arrival directions measured at Buckland Park

The Buckland Park air shower array was operated for 3 years from 1979 to 1981 particularly for the study of anisotropies in the region of the knee of the size spectrum. The array which has been described in detail elsewhere was situated at a latitude of 35 S and had an effective size threshold of approx 3 x 10 to the 5th power particles (approx 3 x 10 to the 15th power Ev for vertical showers). A number of results from this experiment have already been published including anisotropy analyses (Gerhardy and Clay, 1983) and searches for very high energy gamma ray sources. The final distribution of measured shower arrival directions are presented here. These 1.3 x 10 to the 5th power events were selected as indicated in detail in Gerhardy and Clay (1983) and were essentially those events with well measured arrival directions. They are the same data set used in the above reference but no complete sky map has previously been presented.

Gerhardy, P. R.↗
DOE OSTI2024

A Self Consistent 2D Simulation of Coherent Synchrotron Radiation Effects on Beam Dynamics

An increasing interest in high quality and high current electron beams necessitates a thorough understanding and prediction of coherent synchrotron radiation effects. The self-interaction of charged particles in a beam undergoing synchrotron motion is a physically significant process that is all too often computationally intensive with very little analytical results to rely on for the general case. The coherent spectrum of this interaction is of utmost importance to the design of free electron lasers (FELs) and an accurate assessment is imperative for their design. This work presents a novel implementation to the numerical simulation of charged particle beams. The simulation is a self-consistent approach including the self-fields generated by the beam of which coherent synchrotron radiation effects are of primary interest. A particle-in-cell model is used where a planar beam sampled by point particles is deposited on an encompassing grid at each timestep. The electromagnetic fields are calculated on the grid using the retarded potentials according to causality. The electromagnetic forces from the fields are interpolated on each particle which in turn advance in time. The simulation is benchmarked against well-established results for coherent synchrotron radiation effects. In addition, studies are provided that show the convergence of simulation results for increasing resolution. A study into the transverse beam size effects on beam dynamics is performed as well as a proof of concept where the simulation is used by a genetic algorithm to optimize the design parameters of a beam lattice. The results of these studies in tandem verify the efficacy of the simulation for its practical use in accelerator design or the study of synchrotron radiation effects

Duffin, Dallan [Old Dominion Univ., Norfolk, VA (U↗
DOE OSTI2026

Molecular dynamics based study on the effects of cation size on the local structure and diffusion in polymerized ionic liquids

We have used coarse-grained molecular dynamics simulations to understand the effect of cation size on ion diffusion in polymerized ionic liquids at temperatures well above the glass transition temperature of the polymers. We investigated dependencies of the diffusion constant on the cation radius and static dielectric constant and interpreted these results in terms of underlying structural changes, and decoupling phenomenon. We have found non-monotonic effects of the cation radius on the diffusion constant, with a maximum at an intermediate radius resulting from two different size dependent effects. Changes in the radial distribution functions characterizing spatial distribution of cations with respect to anions result in a monotonic increase in the coordination number. This yields an increase in the effective interaction energy as a function of cation radius, which can explain the decrease in the diffusion constant. This increase is counteracted at small cation radii by a corresponding increase in decoupling of cation and anion dynamics. In addition, the diffusion constant is found to increase on increasing the static dielectric constant for all radii of the cations. These results highlight the significant role of decoupling in designing polymerized ionic liquids with an enhanced diffusion constant of cations.

Gillespie, Colin [ORNL] (ORCID:0000000320287080)↗
DOE OSTI2024

Length scale effects of micro- and meso-scale tensile tests of unirradiated and irradiated Zircaloy-4 cladding

Zircaloy-4 is an essential material for cladding structures within fission-based reactors. To explore the changes in properties measured on differing length scales, FIB-machined micro-scale tensile tests were performed on both irradiated and control groups of Zircaloy-4. This was correlated with tensile testing on femtosecond laser-machined meso-scale specimens. Pronounced size effects were found when varying specimen geometry. Increases in tensile geometry size were associated with a reduction in measured yield stress for both irradiated and unirradiated samples. Here, meso-scale testing found strength and strain values similar to that of bulk-scale testing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Classical and quantum computing of shear viscosity for ( 2 + 1 ) D SU(2) gauge theory

We perform a nonperturbative calculation of the shear viscosity for ( 2 + 1 )-dimensional SU(2) gauge theory by using the lattice Hamiltonian formulation. The retarded Green’s function of the stress-energy tensor is calculated from real time evolution via exact diagonalization of the lattice Hamiltonian with a local Hilbert space truncation, and the shear viscosity is obtained via the Kubo formula. When taking the continuum limit, we account for the renormalization group flow of the coupling but no additional operator renormalization. We find the ratio of the shear viscosity and the entropy density η s is consistent with a well-known holographic result 1 4 π at several temperatures on a 4 × 4 honeycomb lattice with the local electric representation truncated at j max = 1 2 . We also find the ratio of the spectral function and frequency ρ x y ( ω ) ω exhibits a peak structure when the frequency is small. Both the exact diagonalization method and simple matrix product state classical simulation method beyond j max = 1 2 on bigger lattices require exponentially growing resources. So we develop a quantum computing method to calculate the retarded Green’s function and analyze various systematics of the calculation including j max truncation and finite size effects, Trotter errors and the thermal state preparation efficiency. Our thermal state preparation method still requires resources that grow exponentially with the lattice size, but with a very small prefactor at high temperature. We test our quantum circuit on both the Quantinuum emulator and the IBM simulator for a small lattice and obtain results consistent with the classical computing ones. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Clogging, diode and collective effects of skyrmions in funnel geometries

Abstract Using a particle-based model, we examine the collective dynamics of skyrmions interacting with a funnel potential under dc driving as the skyrmion density and relative strength of the Magnus and damping terms are varied. For driving in the easy direction, we find that increasing the skyrmion density reduces the average skyrmion velocity due to jamming of skyrmions near the funnel opening, while the Magnus force causes skyrmions to accumulate on one side of the funnel array. For driving in the hard direction, there is a critical skyrmion density below which the skyrmions become trapped. Above this critical value, a clogging effect appears with multiple depinning and repinning states where the skyrmions can rearrange into different clogged configurations, while at higher drives, the velocity-force curves become continuous. When skyrmions pile up near the funnel opening, the effective size of the opening is reduced and the passage of other skyrmions is blocked by the repulsive skyrmion–skyrmion interactions. We observe a strong diode effect in which the critical depinning force is higher and the velocity response is smaller for hard direction driving. As the ratio of Magnus force to dissipative term is varied, the skyrmion velocity varies in a non-linear and non-monotonic way due to the pile up of skyrmions on one side of the funnels. At high Magnus forces, the clogging effect for hard direction driving is diminished.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation

Optically active spin defects in solids are promising platforms for quantum technologies. In this work, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical spin-polarization cycle used to address spin defects. Considering the nitrogen-vacancy center in diamond as a case study, we demonstrate that our framework effectively captures electron correlation effects in the calculation of many-body electronic states and their spin-orbit coupling and electron-phonon interactions, while systematically addressing finite-size effects. We validate our predictions by carrying out measurements of fluorescence lifetimes, finding excellent agreement between theory and experiments. The framework presented here provides a versatile and robust tool for exploring the optical cycle of varied spin defects entirely from first principles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Determination of two-photon exchange via $$e^+p/e^-p$$ scattering with CLAS12

The proton elastic form factor ratio shows a discrepancy between measurements using the Rosenbluth technique in unpolarized beam and target experiments and measurements using polarization degrees of freedom. The proposed explanation of this discrepancy is uncorrected hard two-photon exchange (TPE), a type of radiative correction that is conventionally neglected. The effect size and agreement with theoretical predictions has been tested recently by three experiments. While the results support the existence of a small two-photon exchange effect, they cannot establish that theoretical treatments are valid. At larger momentum transfers, theory remains untested. This proposal aims to measure two-photon exchange over an extended and so far largely untested $Q^2$ and $\varepsilon$ range with high precision using the {\tt CLAS12} experiment. Such data are crucial to clearly confirm or rule out TPE as the driver for the discrepancy as well as test several theoretical approaches, believed valid in different parts of the tested $Q^2$ range.

Bernauer, Jan C.↗
NASA NTRS1990

Aeolian Removal of Dust Types from Photovoltaic Surfaces on Mars

Dust elevated in local or global dust storms on the Martian surface could settle on photovoltaic (PV) surfaces and seriously hamper their performance. Using a recently developed technique to apply a uniform dust layer, PV surface materials were subjected to simulated Martian winds in an attempt to determine whether natural aeolian processes on Mars would sweep off the settled dust. Three different types of dust were used. The effects of wind velocity, angle of attack, height above the Martian surface, and surface coating material were investigated. It was found that arrays mounted on an angle of attack approaching 45 deg show the most efficient clearing. Although the angular dependence is not sharp, horizontally mounted arrays required much higher wind velocities to clear off the dust. From this test it appears that the arrays may be erected quite near the ground, but previous studies have suggested that saltation effects can be expected to cause such arrays to be covered by soil if they are set up less than about a meter from the ground. Particle size effect appear to dominate over surface chemistry in these experiments, but additional tests are required to confirm this.

Gaier, James R.↗
NASA NTRS1996

Laser-Induced Incandescence: Detection Issues

Experimental LII (laser-induced incandescence) measurements were performed in a laminar gasjet flame to test the sensitivity of different LII signal collection strategies to particle size. To prevent introducing a particle size dependent bias in the LII signal, signal integration beginning with the excitation laser pulse is necessary . Signal integration times extending to 25 or 100 nsec after the laser pulse do not produce significant differences in radial profiles of the LII signal due to particle size effects with longer signal integration times revealing a decreased sensitivity to smaller primary particles. Long wavelength detection reduces the sensitivity of the LII signal to primary particle size. Excitation of LII using 1064 nm light is recommended to avoid creating photochemical interferences thus allowing LII signal collection to occur during the excitation pulse without spectral interferences.

VanderWal, Randall L.↗
NASA NTRS1990

Aeolian Removal of Dust Types from Photovoltaic Surfaces on Mars

Dust elevated in local or global dust storms on the Martian surface could settle on photovoltaic (PV) surfaces and seriously hamper their performance. Using a recently developed technique to apply a uniform dust layer, PV surface materials were subjected to simulated Martian winds in an attempt to determine whether natural Aeolian processes on Mars would sweep off the settled dust. Three different types of dust were used; an optical polishing powder, basaltic "trap rock", and iron (III) oxide crystals. The effects of wind velocity, angle of attack, height above the Martian surface, and surface coating material were investigated. It was found that arrays mounted with an angle of attack approaching 45 degrees show the most efficient clearing. Although the angular dependence is not sharp, horizontally mounted arrays required significantly higher wind velocities to clear off the dust. From this test it appears that the arrays may be erected quite near the ground, but previous studies have suggested that saltation effects can be expected to cause such arrays to be covered by soil if they are set up less than about a meter from the ground. Particle size effects appear to dominate over surface chemistry in these experiments, but additional tests are required to confirm this. Providing that the surface chemistry of Martian dusts is not drastically different from simulated dust and that gravity differences have only minor effects, the materials used for protective coatings for photovoltaic arrays may be optimized for other considerations such as transparency, and chemical or abrasion resistance. The static threshold velocity is low enough that there are regions on Mars which experience winds strong enough to clear off a photovoltaic array if it is properly oriented. Turbulence fences proved to be an ineffective strategy to keep dust cleared from the photovoltaic surfaces.

Gaier, James R.↗
DOE OSTI2025

Size and Structural Control of Mechanoluminescent ZnS:Mn 2+ Nanocrystals for Optogenetic Neuromodulation

Mechanoluminescent materials hold immense potential for various transformative applications, from medical imaging and diagnostics to health monitoring and wearable displays. Conventionally produced as bulk powders or microparticles, they face significant size limitations for advanced applications, particularly in biological systems and microscale devices. Here, this work presents an approach to ZnS:Mn 2+ nanocrystal synthesis that involves self-assembly and subsequent calcination. In addition to effective size control within the nanoscale, this approach promotes the formation of abundant stacking faults, significantly enhancing piezoelectric and mechanoluminescent properties by increasing trap density and reducing trap depth. Unlike mechanoluminescent materials produced using conventional methods, these nanocrystals demonstrate strong mechanoluminescence without requiring UV pre-excitation, and the light emission persists even after mechanical stress is removed. These advantageous properties make them promising candidates for optogenetic neuromodulation, as they can effectively trigger electrical signals in neurons upon ultrasound stimulation both with and without UV pre-excitation. The persistent mechanoluminescence prolongs the duration of neuronal electrical activity, providing an extended temporal window for neuromodulation compared to conventional mechanoluminescent materials. This study provides a scalable method for producing efficient mechanoluminescent nanoparticles and reveals the crucial role of particle size and defect structures in determining their mechanoluminescent behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗