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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Dynamical shift of NMR lines in nanostructured Ga–In–Sn melt

NMR spectrum and recovery of longitudinal nuclear magnetization after inverting pulses were measured for isotopes {sup 69}Ga and {sup 71}Ga in a liquid eutectic alloy Ga–In–Sn introduced in porous glasses having pores with the sizes of 25 and 7 nm. The measurements were conducted in the fields of 9.4, 11.7, and 17.6 T and compared with those for the bulk melt sample. Differences between the shape and position of the NMR lines in various fields and for different gallium isotopes were revealed in the melt introduced into the porous glass with the pores size of 7 nm. Data obtained for this sample were interpreted based on the theoretical model of dynamic quadrupolar shift, and correlation time of atomic motion was found within this model. Characteristics of the atomic motion calculated based on the dynamic shift model and from the spin relaxation data were shown to agree with each other.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Small scatter and nearly isothermal mass profiles to four half-light radii from two-dimensional stellar dynamics of early-type galaxies

We study the total mass–density profile for a sample of 14 fast-rotator early-type galaxies (stellar masses 10.2≲logM{sub ∗}/M{sub ⊙}≲11.7). We combine observations from the SLUGGS and ATLAS{sup 3D} surveys to map out the stellar kinematics in two dimensions, out to a median radius for the sample of four half-light radii R{sub e} (or 10 kpc) and a maximum radius of 2.0–6.2 R{sub e} (or 4–21 kpc). We use axisymmetric dynamical models based on the Jeans equations, which allow for a spatially varying anisotropy; employ quite general profiles for the dark halos; and, in particular, do not place any restrictions on the profile slope. This is made possible by the availability of spatially extended two-dimensional kinematics. We find that our relatively simple models provide a remarkably good description of the observed kinematics. The resulting total density profiles are well described by a nearly isothermal power law ρ{sub tot}(r)∝r{sup −γ} from R{sub e}/10 to at least 4R{sub e}, the largest average deviation being 11%. The average logarithmic slope is 〈γ〉=2.19±0.03 with observed rms scatter of just σ{sub γ}=0.11. This scatter out to large radii, where dark matter dominates, is as small as previously reported by lensing studies around r ≈ R{sub e}/2, where the stars dominate. Our bulge–halo conspiracy places much tighter constraints on galaxy formation models. It illustrates the power of two-dimensional stellar kinematics observations at large radii. It is now important to test the generality of our results for different galaxy types and larger samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Internal mixing dynamics of Cu/Sn-Pb plasmas produced by femtosecond laser ablation

Chemical imaging applications using Laser Induced Breakdown Spectroscopy (LIBS) involve laser ablation sampling at interfaces or boundaries between materials with different thermophysical and optical properties, leading to the formation of two initially isolated plasmas. The mechanisms of mixing in these plasmas and their direct implications on spectral emission and chemical imaging remain largely unknown. We investigate the mixing dynamics of isolated plasmas produced using femtosecond (fs) laser pulses at the interface between two different model Cu and Sn–Pb samples. Specifically, we study the spatial and temporal mixing dynamics and outer plasma expansion dynamics of the fs plasma components. The time-resolved degree of component mixing, horizontal and vertical expansion, mixing speed, and temperature and electron density of the heterogeneous plasma are characterized. Mixing processes are initiated early on, <100 ns after the laser pulse, and continue taking place until the end of plasma emission persistence at a constant velocity of 10 4 cm/s. In conclusion, these findings demonstrate that proper selection of detection timing parameters and signal collection position are critically important in precise LIBS measurements to ensure that full plasma mixing has taken place and that homogeneous spectral emission is properly detected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

LARGE-SCALE CORONAL PROPAGATING FRONTS IN SOLAR ERUPTIONS AS OBSERVED BY THE ATMOSPHERIC IMAGING ASSEMBLY ON BOARD THE SOLAR DYNAMICS OBSERVATORY—AN ENSEMBLE STUDY

This paper presents a study of a large sample of global disturbances in the solar corona with characteristic propagating fronts as intensity enhancement, similar to the phenomena that have often been referred to as Extreme Ultraviolet Imaging Telescope (EIT) waves or extreme-ultraviolet (EUV) waves. Now EUV images obtained by the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory provide a significantly improved view of these large-scale coronal propagating fronts (LCPFs). Between 2010 April and 2013 January, a total of 171 LCPFs have been identified through visual inspection of AIA images in the 193 Å channel. Here we focus on the 138 LCPFs that are seen to propagate across the solar disk, first studying how they are associated with flares, coronal mass ejections (CMEs), and type II radio bursts. We measure the speed of the LCPF in various directions until it is clearly altered by active regions or coronal holes. The highest speed is extracted for each LCPF. It is often considerably higher than EIT waves. We do not find a pattern where faster LCPFs decelerate and slow LCPFs accelerate. Furthermore, the speeds are not strongly correlated with the flare intensity or CME magnitude, nor do they show an association with type II bursts. We do not find a good correlation either between the speeds of LCPFs and CMEs in a subset of 86 LCPFs observed by one or both of the Solar and Terrestrial Relations Observatory spacecraft as limb events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Understanding collective human movement dynamics during large-scale events using big geosocial data analytics

Conventional approaches for modeling human mobility pattern often focus on human activity and movement dynamics in their regular daily lives and cannot capture changes in human movement dynamics in response to large-scale events. With the rapid advancement of information and communication technologies, many researchers have adopted alternative data sources (e.g., cell phone records, GPS trajectory data) from private data vendors to study human movement dynamics in response to large-scale natural or societal events. Big geosocial data such as georeferenced tweets are publicly available and dynamically evolving as real-world events are happening, making it more likely to capture the real-time sentiments and responses of populations. However, precisely-geolocated geosocial data is scarce and biased toward urban population centers. In this research, we developed a big geosocial data analytical framework for extracting human movement dynamics in response to large-scale events from publicly available georeferenced tweets. The framework includes a two-stage data collection module that collects data in a more targeted fashion in order to mitigate the data scarcity issue of georeferenced tweets; in addition, a variable bandwidth kernel density estimation(VB-KDE) approach was adopted to fuse georeference information at different spatial scales, further augmenting the signals of human movement dynamics contained in georeferenced tweets. To correct for the sampling bias of georeferenced tweets, we adjusted the number of tweets for different spatial units (e.g., county, state) by population. To demonstrate the performance of the proposed analytic framework, we chose an astronomical event that occurred nationwide across the United States, i.e., the 2017 Great American Eclipse, as an example event and studied the human movement dynamics in response to this event. Finally, this analytic framework can easily be applied to other types of large-scale events such as hurricanes or earthquakes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

An elastography method based on the scanning contact resonance of a piezoelectric cantilever

Purpose: Most tissues may become significantly stiffer than their normal states when there are lesions inside. The tissue's modulus can then act as an identification parameter for clinic diagnosis of tumors or fibrosis, which leads to elastography. This study introduces a novel elastography method that can be used for modulus imaging of superficial organs. Methods: This method is based on the scanning contact-resonance of a unimorph piezoelectric cantilever. The cantilever vibrates in its bending mode with the tip pressed tightly on the sample. The contact resonance frequency of the cantilever-sample system is tracked at each scanning point, from which the sample's modulus can be derived based on a beam dynamic model and a contact mechanics model. Scanning is performed by a three-dimensional motorized stage and the whole system is controlled by a homemade software program based on LabVIEW. Results: Testing onin vitro beef tissues indicates that the fat and the muscle can be easily distinguished using this system, and the accuracy of the modulus measurement can be comparable with that of nanoindentation. Imaging on homemade gelatin phantoms shows that the depth information of the abnormalities can be qualitatively obtained by varying the pressing force. The detection limit of this elastography method is specially examined both experimentally and numerically. Results show that it can detect the typical lesions in superficial organs with the depth of several centimeters. The lateral resolution of this elastography method/system is better than 0.5 mm, and could be further enhanced by using more scanning points. Conclusions: The proposed elastography system can be regarded as a sensitive palpation robot, which may be very promising in early diagnosis of tumors in superficial organs such as breast and thyroid.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Reversible simulations of elastic collisions

Consider a system of N identical hard spherical particles moving in a d-dimensional box and undergoing elastic, possibly multi-particle, collisions. We develop a new algorithm that recovers the pre-collision state from the post-collision state of the system, across a series of consecutive collisions, \textit{with essentially no memory overhead}. The challenge in achieving reversibility for an n-particle collision (where, in general, n<< N) arises from the presence of nd-d-1 degrees of freedom (arbitrary angles) during each collision, as well as from the complex geometrical constraints placed on the colliding particles. To reverse the collisions in a traditional simulation setting, all of the particular realizations of these degrees of freedom (angles) during the forward simulation must be tracked. This requires memory proportional to the number of collisions, which grows very fast with N and d, thereby severely limiting the \textit{de facto} applicability of the scheme. This limitation is addressed here by first performing a pseudo-randomization of angles, which ensures determinism in the reverse path for any values of n and d. To address the more difficult problem of geometrical and dynamic constraints, a new approach is developed which correctly samples the constrained phase space. Upon combining the pseudo-randomization with correct phase space sampling, perfect reversibility of collisions is achieved, as illustrated for n<=3, d=2, and n=2, d=3. This result enables, for the first time, reversible simulations of elastic collisions with essentially zero memory accumulation. In principle, the approach presented here could be generalized to larger values of n, which would be of definite interest for molecular dynamics simulations at high densities.

Perumalla, Kalyan S.↗
DOE OSTI2022

The MASSIVE Survey. XVI. The Stellar Initial Mass Function in the Center of MASSIVE Early-type Galaxies

The stellar initial mass function (IMF) is a fundamental property in the measurement of stellar masses and galaxy star formation histories. In this work, we focus on the most massive galaxies in the nearby universe $\mathrm{log}({M}_{\star }/\,{M}_{\odot })\gt 11.2$. We obtain high-quality Magellan/LDSS-3 long-slit spectroscopy with a wide wavelength coverage of 0.4–1.01 μm for 41 early-type galaxies (ETGs) in the MASSIVE survey and derive high signal-to-noise spectra within an aperture of R e /8. Using detailed stellar synthesis models, we constrain the elemental abundances and stellar IMF of each galaxy through full spectral modeling. All the ETGs in our sample have an IMF that is steeper than a Milky Way (Kroupa) IMF. The best-fit IMF mismatch parameter, α IMF = (M/L)/(M/L) MW , ranges from 1.1 to 3.1, with an average of $\langle$α IMF $\rangle$ = 1.84, suggesting that on average, the IMF is more bottom heavy than Salpeter. Comparing the estimated stellar masses with the dynamical masses, we find that most galaxies have stellar masses that are smaller than their dynamical masses within the 1σ uncertainty. We complement our sample with lower-mass galaxies from the literature and confirm that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with $\mathrm{log}(\sigma )$, $\mathrm{log}({M}_{\star })$, and $\mathrm{log}({M}_{\mathrm{dyn}})$. From the combined sample, we show that the IMF in the centers of more massive ETGs is more bottom heavy. In addition, we find that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with both [Mg/Fe] and the estimated total metallicity [Z/H]. We find suggestive evidence that the effective stellar surface density Σ Kroupa might be responsible for the variation of α IMF . We conclude that σ, [Mg/Fe], and [Z/H] are the primary drivers of the global stellar IMF variation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Longitudinal Analysis of SARS-CoV-2 Vaccine Breakthrough Infections Reveals Limited Infectious Virus Shedding and Restricted Tissue Distribution

Background. The global effort to vaccinate people against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) during an ongoing pandemic has raised questions about how vaccine breakthrough infections compare with infections in immunologically naive individuals and the potential for vaccinated individuals to transmit the virus. Methods. We examined viral dynamics and infectious virus shedding through daily longitudinal sampling in 23 adults infected with SARS-CoV-2 at varying stages of vaccination, including 6 fully vaccinated individuals. Results. The durations of both infectious virus shedding and symptoms were significantly reduced in vaccinated individuals compared with unvaccinated individuals. We also observed that breakthrough infections are associated with strong tissue compartmentalization and are only detectable in saliva in some cases. Conclusions. Vaccination shortens the duration of time of high transmission potential, minimizes symptom duration, and may restrict tissue dissemination.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Effect of annealing treatment on the dry sliding wear behavior of copper

We report the effect of annealing on the wear behavior of commercial grade pure copper (Cu) was evaluated by performing unlubricated pin-on-disc wear tests of as-received and annealed samples under 0.1-10 kgf normal load. It was found that annealing at 800 °C for 24 h led to an increase of grain size of Cu from ~ 6.7 to ~ 15.3 μm and a decrease in hardness. Wear rates of both samples increased while the friction coefficients decreased with increasing normal load. Subsurface microstructure evolution and wear debris were characterized by high resolution electron backscattered diffraction (EBSD) and transmission electron microscopy (TEM) after wear tests. Dynamic recrystallization and abnormal subsurface grain growth were observed in both samples under high load. Finally, the effect of annealing on the microstructure evolution and wear resistance of Cu were discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Realistic simulations of spin squeezing and cooperative coupling effects in large ensembles of interacting two-level systems

We describe an efficient numerical method for simulating the dynamics of interacting spin ensembles in the presence of dephasing and decay. The method builds on the discrete truncated Wigner approximation for isolated systems, which combines the mean-field dynamics of a spin ensemble with a Monte Carlo sampling of discrete initial spin values to account for quantum correlations. Here we show how this approach can be generalized for dissipative spin systems by replacing the deterministic mean-field evolution by a stochastic process, which describes the decay of coherences and populations while preserving the length of each spin. We demonstrate the application of this technique for simulating nonclassical spin-squeezing effects or the dynamics and steady states of cavity QED models with 10 5 interacting two-level systems. This opens up the possibility to perform accurate real-scale simulations of a diverse range of experiments in quantum optics or with solid-state spin ensembles under realistic laboratory conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Demonstration of an AI-driven workflow for dynamic x-ray spectroscopy

X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be time-consuming. While adaptive sampling methods exist for efficiently collecting spectroscopic data, they often lack domain-specific knowledge about the structure of XANES spectra. Here we demonstrate a knowledge-injected Bayesian optimization approach for adaptive XANES data collection that incorporates understanding of spectral features like absorption edges and pre-edge peaks. We show this method accurately reconstructs the absorption edge of XANES spectra using only 15–20% of the measurement points typically needed for conventional sampling, while maintaining the ability to determine the x-ray energy of the sharp peak after the absorption edge with errors less than 0.03 eV, the absorption edge with errors less than 0.1 eV; and overall root-mean-square errors less than 0.005 compared to traditionally sampled spectra. Our experiments on battery materials and catalysts demonstrate the method’s effectiveness for both static and dynamic XANES measurements, improving data collection efficiency and enabling better time resolution for tracking chemical changes. This approach advances the degree of automation in XANES experiments, reducing the common errors of under- or over-sampling points near the absorption edge and enabling dynamic experiments that require high temporal resolution or limited measurement time.

Bayesian optimization↗
DOE OSTI2023

Understanding Interfacial Block Copolymer Structure and Dynamics

Here, block copolymer (BCP) structure and dynamics were studied using small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and molecular dynamics (MD) simulations to obtain a fundamental understanding of the impact of an interfacial block on chain dynamics. A glassy block acted as the interface, and the dynamics of a rubbery block was studied. The rubbery block was protonated near the interface in one sample and near the chain end in another sample to observe the interfacial effect on the rubbery polymer. Analysis of the structure and dynamics revealed that the interfacial rubbery block was confined in layered morphologies and exhibited much slower dynamics than the chain-end rubbery block that was dispersed in the rubbery matrix. The interfacial rubbery block showed weaker dynamical relaxation than that at the chain end, and it also had critically important length scale dependence. Dynamical slowing was only observed at length scales significantly larger than the characteristic segmental length, and the disparity between interfacial and chain-end dynamics increased with increasing length.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Redshift evolution of the dynamical properties of massive galaxies from SDSS-III/BOSS

We study the redshift evolution of the dynamical properties of ∼180, 000 massive galaxies from SDSS-III/BOSS combined with a local early-type galaxy sample from SDSS-II in the redshift range 0.1 ≤ z ≤ 0.6. The typical stellar mass of this sample is M{sub *} ∼2 × 10{sup 11} M{sub ☉}. We analyze the evolution of the galaxy parameters effective radius, stellar velocity dispersion, and the dynamical to stellar mass ratio with redshift. As the effective radii of BOSS galaxies at these redshifts are not well resolved in the Sloan Digital Sky Survey (SDSS) imaging we calibrate the SDSS size measurements with Hubble Space Telescope/COSMOS photometry for a sub-sample of galaxies. We further apply a correction for progenitor bias to build a sample which consists of a coeval, passively evolving population. Systematic errors due to size correction and the calculation of dynamical mass are assessed through Monte Carlo simulations. At fixed stellar or dynamical mass, we find moderate evolution in galaxy size and stellar velocity dispersion, in agreement with previous studies. We show that this results in a decrease of the dynamical to stellar mass ratio with redshift at >2σ significance. By combining our sample with high-redshift literature data, we find that this evolution of the dynamical to stellar mass ratio continues beyond z ∼ 0.7 up to z > 2 as M{sub dyn}/M{sub *} ∼(1 + z){sup –0.30±0.12}, further strengthening the evidence for an increase of M{sub dyn}/M{sub *} with cosmic time. This result is in line with recent predictions from galaxy formation simulations based on minor merger driven mass growth, in which the dark matter fraction within the half-light radius increases with cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer

Molecular simulation is an important tool for nu- merous efforts in physics, chemistry, and the biological sciences. Simulating molecular dynamics requires extremely rapid cal- culations to enable sufficient sampling of simulated temporal molecular processes. The Hewlett Packard Enterprise (HPE) Cray EX Frontier supercomputer installed at the Oak Ridge Leadership Computing Facility (OLCF) will provide an exascale resource for open science, and will feature graphics processing units (GPUs) from Advanced Micro Devices (AMD). The future LUMI supercomputer in Finland will be based on an HPE Cray EX platform as well. Here we test the ports of several widely used molecular dynamics packages that have each made substantial use of acceleration with NVIDIA GPUs, on Spock, the early Cray pre-Frontier testbed system at the OLCF which employs AMD GPUs. These programs are used extensively in industry for pharmaceutical and materials research, as well as academia, and are also frequently deployed on high-performance computing (HPC) systems, including national leadership HPC resources. We find that in general, performance is competitive and installation is straightforward, even at these early stages in a new GPU ecosystem. Our experiences point to an expanding arena for GPU vendors in HPC for molecular simulation.

Sedova, Ada↗