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DOE OSTI2021

Space-Charge and Other Effects in Fermilab Booster and IOTA Rings’ Ionization Profile Monitors

Ionization profile monitors (IPMs) are widely used in accelerators for non-destructive and fast diagnostics of high energy particle beams. At low beam intensities, initial velocities of the secondaries to collect (ions or electrons) result in the IPM profile smearing. At high beam intensities, the space-charge forces make the measured IPM profiles significantly different from those of the beams. We analyze dynamics of the secondaries in IPMs, describe an effective algorithm to reconstruct the beam sizes from the measured IPM profiles and apply it to the Fermilab 8 GeV proton Booster and 70 MeV/c IOTA ring IPMs.

Shiltsev, Vladimir D.↗

DOE OSTI2014

Development of HuMiChip for Functional Profiling of Human Microbiomes

Understanding the diversity, composition, structure, function, and dynamics of human microbiomes in individual human hosts is crucial to reveal human-microbial interactions, especially for patients with microbially mediated disorders, but challenging due to the high diversity of the human microbiome. Here we have developed a functional gene-based microarray for profiling human microbiomes (HuMiChip) with 36,802 probes targeting 50,007 protein coding sequences for 139 key functional gene families. Computational evaluation suggested all probes included are highly specific to their target sequences. HuMiChip was used to analyze human oral and gut microbiomes, showing significantly different functional gene profiles between oral and gut microbiome. Obvious shifts of microbial functional structure and composition were observed for both patients with dental caries and periodontitis from moderate to advanced stages, suggesting a progressive change of microbial communities in response to the diseases. Consistent gene family profiles were observed by both HuMiChip and next generation sequencing technologies. Additionally, HuMiChip was able to detect gene families at as low as 0.001% relative abundance. The results indicate that the developed HuMiChip is a useful and effective tool for functional profiling of human microbiomes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Reconfigurable Terahertz Metasurface Pure Phase Holograms

Terahertz (THz) radiation has many potential applications. However, comparing with the rapid development of THz sources and detectors, functional devices for THz modulation, especially the spatial modulation devices, are still insufficient. Here, we present a novel approach for generating arbitrary wavefronts of a THz beam is presented. By dynamically creating metasurface structures through illuminating a thin silicon wafer with femtosecond laser, which is spatially modulated, an array of reconfigurable subwavelength resonators is generated. The wavefront of the THz beam is then determined by forming spatial profiles of the Pancharatnam–Berry scattering phase by dynamically controlling the resonator orientation. Proof-of-concept experiments demonstrate that streaming holographic images and lenses of variable focal length can be realized in real time. The reconfigurable scheme demonstrated here is convenient and fast, and may lead to advances in a host of THz applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Nuclear Magnetic Resonance Dynamics of LiTFSI–Pyrazole Eutectic Solvents

Deep Eutectic Solvents (DESs) have emerged as promising candidates to replace conventional organic solvents in various technological applications due to their low vapor pressure, non-flammability, and ease of preparation at low costs. In particular, Type IV DESs, which are composed of metal salts and hydrogen bond donors, are possible replacements for lithium-ion battery electrolytes. In this study, we investigate the molecular dynamics of solvents of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and pyrazole (PYR) at varying LiTFSI:PYR molar ratios (1:2, 1:3, 1:4, 1:5) using Nuclear Magnetic Resonance Dispersion (NMRD) and Pulsed Field Gradient (PFG) Nuclear Magnetic Resonance (NMR). PFG NMR reveals composition-dependent diffusion trends, while NMRD provides molecular-level insights into the longitudinal relaxation rate (R 1 = 1/T 1 ). Notably, the LiTFSI:PYR (1:2) sample shows distinct behavior across both techniques, exhibiting enhanced relaxation rates and lower self-diffusion for 1 H compared to the other nuclei ( 19 F and 7 Li), suggestive of stronger and more efficient Li + –pyrazole interactions, as confirmed by the modeling of the relaxation profiles. Our study advances understanding of ion dynamics in azole-based eutectic solvents, supporting their potential use in safer battery electrolytes.

FFC-NMR↗

DOE OSTI2025

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Space-charge effects in ionization beam profile monitors

Ionization profile monitors (IPMs) are widely used in accelerators for non-destructive and fast diagnostics of high energy particle beams. At high beam intensities, the space-charge forces make the measured IPM profiles significantly different from those of the beams. We analyze dynamics of the secondaries in IPMs and develop an effective algorithm to reconstruct the beam sizes from the measured IPM profiles. Efficiency of the developed theory is illustrated in application to the Fermilab 8 GeV proton Booster IPMs.

43 PARTICLE ACCELERATORS↗

DOE OSTI2014

Analysis of nanoscale two-phase flow of argon using molecular dynamics

Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Space-Charge Effects in Ionization Beam Profile Monitors

Shiltsev, Vladimir D.↗

NASA NTRS1976

Statistical simulations of clusters of galaxies

By comparing observed and simulated rich clusters of galaxies, it is shown that the observed clusters actually possess physical cores. The accuracy with which core radii can be determined is found. It is also shown that the observations of density profiles of galaxies in the clusters give no significant evidence for a dynamical reason as the cause of the anomalously close resemblance found previously between such density profiles and the isothermal gas distribution.

Avni, Y.↗

NASA NTRS2016

The Atacama Cosmology Telescope: Dynamical Masses for 44 SZ-Selected Galaxy Clusters over 755 Square Degrees

We present galaxy velocity dispersions and dynamical mass estimates for 44 galaxy clusters selected via the Sunyaev-Zeldovich (SZ) effect by the Atacama Cosmology Telescope. Dynamical masses for 18 clusters are reported here for the first time. Using N-body simulations, we model the different observing strategies used to measure the velocity dispersions and account for systematic effects resulting from these strategies. We find that the galaxy velocity distributions may be treated as isotropic, and that an aperture correction of up to 7 per cent in the velocity dispersion is required if the spectroscopic galaxy sample is sufficiently concentrated towards the cluster centre. Accounting for the radial profile of the velocity dispersion in simulations enables consistent dynamical mass estimates regardless of the observing strategy. Cluster masses M200 are in the range (1 - 15) times 10 (sup 14) Solar Masses. Comparing with masses estimated from the SZ distortion assuming a gas pressure profile derived from X-ray observations gives a mean SZ-to-dynamical mass ratio of 1:10 plus or minus 0:13, but there is an additional 0.14 systematic uncertainty due to the unknown velocity bias; the statistical uncertainty is dominated by the scatter in the mass-velocity dispersion scaling relation. This ratio is consistent with previous determinations at these mass scales.

Sunyaev-Zeldovich (SZ)↗

NASA NTRSDate not supplied

Characterization of Jugular Venous Blood Flow During Acute Fluid Shifts

INTRODUCTION Exposure to weightlessness induces a headward fluid shift and redistribution of fluids, resulting in increased internal jugular vein (IJV) cross-sectional area and altered IJV blood flow dynamics including stasis and retrograde flow. These findings may contribute to various risks of spaceflight, including thrombosis or other risks affected by cerebral venous blood flow. To date, our understanding of the cerebral venous outflow dynamics is limited to the left IJV assessed ~45and ~150days into spaceflight. Therefore, it is unknown how quickly the alterations in venous blood flow dynamics change as a result of weightlessness. The purpose of this study is to determine 1) if venous stasis is an immediate effect of weightlessness, and therefore a risk for short-duration missions, and 2) the effect of weightlessness on brachiocephalic venous flow. METHODS In this study, we will determine the effects of acute weightlessness during parabolic flight on right and left IJV cross-sectional area, as well as blood flow dynamics through the IJV and brachiocephalic veins in 12 healthy subjects. Baseline ultrasound images will be obtained on the ground prior to the parabolic flight in the seated and supine postures to determine normal changes in blood flow with posture-induced fluid shifts in a 1genvironment. Subjects will then undergo parabolic flight withrepeated,~20 second exposure to 0g. Each data collection session will include 2D ultrasonography to quantify IJV cross-sectional area and Doppler ultrasonography to characterize venous blood flow patterns in the IJV and brachiocephalic veins. RESULTS Data collection for this study is planned to take place in October, 2021.CONCLUSIONS This study will characterize the immediate venous response in the left and right IJV and brachiocephalic veins upon entry into weightlessness. The results from this parabolic flight study will be compared with previous data from International Space Station crewmembers collectedafter~45 and ~150 days into spaceflight to provide a more complete understanding of the temporal profile of changes in venous blood flow dynamics during weightlessness and whether these findings develop in veins other than the left IJV. Supported by the NASA Human Research Program.

K Marshall-Bowman↗

DOE OSTI2014

Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb{sup +} and Sr{sup 2+}) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein–Zernike equations, with results from the Kovalenko–Hirata closure being closest to experiment for the cases studied here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1998

Design and Performance of a Miniature Lidar Wind Profiler (MLWP)

The directional velocity of the wind is one of the most critical components for understanding meteorological and other dynamic atmospheric processes. Altitude-resolved wind velocity measurements, also known as wind profiles or soundings, are especially necessary for providing data for meteorological forecasting and overall global circulation models (GCM's). Wind profiler data are also critical in identifying possible dangerous weather conditions for aviation. Furthermore, a system has yet to be developed for wind profiling from the surface of Mars which could also meet the stringent requirements on size, weight, and power of such a mission. Obviously, a novel wind profiling approach based on small and efficient technology is required to meet these needs. A lidar system based on small and highly efficient semiconductor lasers is now feasible due to recent developments in the laser and detector technologies. The recent development of high detection efficiency (50%), silicon-based photon-counting detectors when combined with high laser pulse repetition rates and long receiver integration times has allowed these transmitter energies to be reduced to the order of microjoules per pulse. Aerosol lidar systems using this technique have been demonstrated for both Q-switched, diode-pumped solid-state laser transmitters (lambda = 523 nm) and semiconductor diode lasers (lambda = 830 nm); however, a wind profiling lidar based on this technique has yet to be developed. We will present an investigation of a semiconductor-laser-based lidar system which uses the "edge-filter" direct detection technique to infer Doppler frequency shifts of signals backscattered from aerosols in the planetary boundary layer (PBL). Our investigation will incorporate a novel semiconductor laser design which mitigates the deleterious effects of frequency chirp in pulsed diode lasers, a problem which has limited their use in such systems in the past. Our miniature lidar could be used on a future Mars lander and perhaps find its own niche in terrestrial applications due to its potential low cost an small size.

Cornwell, Donald M., Jr.↗

NASA NTRS2010

Interannual Variability of Ozone in the Winter Lower Stratosphere and the Relationship to Lamina and Irreversible Transport

We use the high-resolution dynamic limb sounder (HIRDLS) high-vertical resolution ozone profiles in the northern hemisphere lower stratosphere to examine the meridional transport out of the tropics. We focus on February 2005.2007 when there are differences in the dynamical background in the lower stratosphere due to the states of the quasibiennial oscillation and polar vortex. HIRDLS data reveal a large number of low ozone laminae that have the characteristics of tropical air at midlatitudes. More laminae are observed in February in 2006 than in 2005 or 2007. Because laminae can form, move out of the tropics, and return to the tropics without mixing into the midlatitude ozone field, the number of laminae is not directly related to the net transport. We use equivalent latitude coordinates to discriminate between reversible and irreversible laminar transport. The equivalent latitude analysis shows greater irreversible transport between the tropics and lower midlatitudes in both 2005 and 2007 compared to 2006 despite the higher number of laminae observed in 2006. Our conclusion that there was more irreversible transport of tropical air into the lower midlatitudes in 2005 and 2007 is supported by equivalent length analysis of mixing using microwave limb sounder N2O measurements. This study shows that reversibility must be considered in order to infer the importance of lamination to net transport.

Olsen, Mark A.↗

NASA NTRS1980

STS-1 operational flight profile. Volume 3: Ascent, cycle 3

The ascent opeational flight profile for the space transportation system 1 flight is designed (1) to limit the maximum undispersed dynamic pressure to 580 lb/sq ft, (2) to follow the design load indicator profiles where q alpha is a specified profile and q beta is desired to be as close to zero as passible, and (3) to maximize nominal and abort performance. Significant trajectory parameters achieved are presented. A maximum dynamic pressure of 575 lb/sq ft was achieved, a minimum q alpha of -2187 lb-deg/sq ft was achieved, and q beta was limited to approximately + or - 100 lb-deg/sq ft in the high q region of the trajectory. The trajectory performance allows a press to main engine cutoff capability with one space shuttle main engine out at 262 seconds ground elapsed time. The orbital maneuvering system burns achieve a final orbit of 150.9 x 149.9 x 149.8 n. mi. and the desired inclination of 40.3 degrees.

Source record↗

DOE OSTI2014

Dose reduction using a dynamic, piecewise-linear attenuator

Purpose: The authors recently proposed a dynamic, prepatient x-ray attenuator capable of producing a piecewise-linear attenuation profile customized to each patient and viewing angle. This attenuator was intended to reduce scatter-to-primary ratio (SPR), dynamic range, and dose by redistributing flux. In this work the authors tested the ability of the attenuator to reduce dose and SPR in simulations. Methods: The authors selected four clinical applications, including routine full field-of-view scans of the thorax and abdomen, and targeted reconstruction tasks for an abdominal aortic aneurysm and the pancreas. Raw data were estimated by forward projection of the image volume datasets. The dynamic attenuator was controlled to reduce dose while maintaining peak variance by solving a convex optimization problem, assuminga priori knowledge of the patient anatomy. In targeted reconstruction tasks, the noise in specific regions was given increased weighting. A system with a standard attenuator (or “bowtie filter”) was used as a reference, and used either convex optimized tube current modulation (TCM) or a standard TCM heuristic. The noise of the scan was determined analytically while the dose was estimated using Monte Carlo simulations. Scatter was also estimated using Monte Carlo simulations. The sensitivity of the dynamic attenuator to patient centering was also examined by shifting the abdomen in 2 cm intervals. Results: Compared to a reference system with optimized TCM, use of the dynamic attenuator reduced dose by about 30% in routine scans and 50% in targeted scans. Compared to the TCM heuristics which are typically used withouta priori knowledge, the dose reduction is about 50% for routine scans. The dynamic attenuator gives the ability to redistribute noise and variance and produces more uniform noise profiles than systems with a conventional bowtie filter. The SPR was also modestly reduced by 10% in the thorax and 24% in the abdomen. Imaging with the dynamic attenuator was relatively insensitive to patient centering, showing a 17% increase in peak variance for a 6 cm shift of the abdomen, instead of an 82% increase in peak variance for a fixed bowtie filter. Conclusions: A dynamic prepatient x-ray attenuator consisting of multiple wedges is capable of achieving substantial dose reductions and modest SPR reductions.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1992

Observation of Stratospheric Ozone with NIES Lidar System in Tsukuba, Japan

Lidars are expected to play important roles in an international monitoring network of the stratosphere such as the Network for the Detection of Stratospheric Change (NDSC). The National Institute for Environmental Studies (NIES) in Tsukuba constructed an ozone lidar system in March 1988 and started observation in August 1988. The lidar system has a 2-m telescope and injection locked XeCl and XeF excimer lasers which can measure ozone profiles (15-45 km) and temperature profiles (30-80 km). From December 1991, lidar observations have been carried out in which the second Stokes line of the stimulated Raman scattering of a KrF laser has been used. Ozone profiles obtained with the NIES lidar system are compared with the data provided by the SAGE II satellite sensor. Results showed good agreement for the individual and the zonal mean profiles. Variations of ozone with various time scales at each altitude can be studied using the data obtained with the NIES ozone lidar system. Seasonal variations are easily found at 20 km, 30 km, and 35 km, which are qualitatively understood as a result of dynamical and photochemical effects. Systematic errors of ozone profiles due to the Pinatubo stratospheric aerosols have been detected using multi-wavelength observation.

Nakane, H.↗

DOE OSTI2022

Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta

Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.

36 MATERIALS SCIENCE↗