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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Probing two-path electron quantum interference in strong-field ionization with time-correlation filtering

We report attosecond dynamics in strong-field tunnel ionization are encoded in intricate holographic patterns in the photoelectron momentum distributions. These patterns show the interference between two or more superposed quantum electron trajectories, which are defined by their ionization times and subsequent evolution in the laser field. We determine the ionization time separation between interfering pairs of electron orbits by performing a differential Fourier analysis on the measured momentum spectrum. We identify electron holograms formed by trajectory pairs whose ionization times are separated by less than a single quarter cycle, between a quarter cycle and half cycle, between a half cycle and three fourths of a cycle, and a full cycle apart. We compare our experimental results to the predictions of the Coulomb quantum orbit strong-field approximation (CQSFA) with significant success. We also time-filter the CQSFA trajectory calculations to demonstrate the validity of the technique on spectra with known time correlations. As a general analysis technique, the filter can be applied to all energy- and angularly resolved data sets to recover time correlations between interfering electron pathways, providing an important tool to analyze any strong-field ionization spectra. Moreover, it is independent of theory and can be applied directly to experiments, without the need of a direct comparison with orbit-based theoretical methods.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

A multispacecraft event study of Pc5 ultralow-frequency waves in the magnetosphere and their external drivers

We investigate a quiet time event of magnetospheric Pc5 ultralow-frequency (ULF) waves and their likely external drivers using multiple spacecraft observations. Enhancements of electric and magnetic field perturbations in two narrow frequency bands, 1.5–2 mHz and 3.5–4 mHz, were observed over a large radial distance range from r ~ 5 to 11 RE. During the first half of this event, perturbations were mainly observed in the transverse components and only in the 3.5–4 mHz band. In comparison, enhancements were stronger during the second half in both transverse and compressional components and in both frequency bands. No indication of field line resonances was found for these magnetic field perturbations. Perturbations in these two bands were also observed in the magnetosheath, but not in the solar wind dynamic pressure perturbations. For the first interval, good correlations between the flow perturbations in the magnetosphere and magnetosheath and an indirect signature for Kelvin-Helmholtz (K-H) vortices suggest K-H surface waves as the driver. For the second interval, good correlations are found between the magnetosheath dynamic pressure perturbations, magnetopause deformation, and magnetospheric waves, all in good correspondence to interplanetary magnetic field (IMF) discontinuities. The characteristics of these perturbations can be explained by being driven by foreshock perturbations resulting from these IMF discontinuities. This event shows that even during quiet periods, K-H-unstable magnetopause and ion foreshock perturbations can combine to create a highly dynamic magnetospheric ULF wave environment

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Whole-Ecosystem Warming Increases Plant-Available Nitrogen and Phosphorus in an Ombrotrophic Bog

Warming is expected to increase the net release of carbon from peatland soils, contributing to future warming. This positive feedback may be moderated by the response of peatland vegetation to rising atmospheric [CO 2 ] or to increased soil nutrient availability. We asked whether a gradient of whole-ecosystem warming (from + 0 °C to + 9 °C) would increase plant-available nitrogen and phosphorus in an ombrotrophic bog in northern Minnesota, USA, and whether elevated [CO 2 ] would modify the nutrient response. We tracked changes in plant-available nutrients across space and through time and in comparison with other nutrient pools, and assessed whether nutrient warming responses were captured by a point version of the land-surface model, ELM-SPRUCE. We found that warming exponentially increased plant-available ammonium and phosphate, but that nutrient dynamics were unaffected by elevated [CO 2 ]. The warming response increased by an order of magnitude between the first and fourth year of the experimental manipulation, perhaps because of dramatic mortality of Sphagnum mosses in the surface peat of the warmest treatments. However, neither the magnitude nor the temporal dynamics of the responses were captured by ELM-SPRUCE. Here, relative increases in plant-available ammonium and phosphate with warming were similar, but the response varied across raised hummocks and depressed hollows and with peat depth. Plant-available nutrient dynamics were only loosely correlated with inorganic and organic porewater nutrients, likely representing different processes. Future predictions of peatland nutrient availability under climate change scenarios must account for dynamic changes in nutrient acquisition by plants and microbes, as well as microtopography and peat depth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Soft Interactions Modify the Diffusive Dynamics of Polymer-Grafted Nanoparticles in Solutions of Free Polymer

We examine the dynamics of silica particles grafted with high molecular weight polystyrene suspended in semidilute solutions of chemically similar linear polymer using X-ray photon correlation spectroscopy. The particle dynamics decouple from the bulk viscosity despite their large hydrodynamic size and instead experience an effective viscosity that depends on the molecular weight of the free polymer chains. Unlike for hard-sphere nanoparticles in semidilute polymer solutions, the diffusivities of the polymer-grafted nanoparticles do not collapse onto a master curve solely as a function of normalized length scales. Instead, the diffusivities can be collapsed across two orders of magnitude in free polymer molecular weight and concentration and one order of magnitude in grafted molecular weight by incorporating the ratio of free to grafted polymer molecular weights. These results suggest that the soft interaction potential between polymer-grafted nanoparticles and free polymer allows polymer-grafted nanoparticles to diffuse faster than predicted based on bulk rheology and modifies the coupling between grafted particle dynamics and the relaxations of the surrounding free polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantum Monte Carlo Method in the Steady State

We present a numerically exact steady-state inchworm Monte Carlo method for nonequilibrium quantum impurity models. Rather than propagating an initial state to long times, the method is directly formulated in the steady state. This eliminates any need to traverse the transient dynamics and grants access to a much larger range of parameter regimes at vastly reduced computational costs. We benchmark the method on equilibrium Green’s functions of quantum dots in the noninteracting limit and in the unitary limit of the Kondo regime. We then consider correlated materials described with dynamical mean field theory and driven away from equilibrium by a bias voltage. We show that the response of a correlated material to a bias voltage differs qualitatively from the splitting of the Kondo resonance observed in bias-driven quantum dots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Hard X-Ray Photon Correlation Spectroscopy Methods for Materials Studies

Understanding and designing sophisticated new materials require measurements of not only their average structural properties but also their dynamic behavior. X-ray photon correlation spectroscopy (XPCS) provides this information by characterizing fluctuations in condensed matter across a broad range of length scales and timescales. Over the past two decades, XPCS has provided a wide variety of results in the study of materials properties. In this review, we provide an overview of coherence, photon correlation spectroscopy, and the dynamic structure factor as well as information on the mechanics of XPCS experiments. As a result, we highlight the impact that this infrastructure has had on materials research and the bright future that is forthcoming with the anticipated upgrade of many third-generation synchrotron sources to fourth-generation multibend achromat sources.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Untangleing the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts

Here, we present a detailed analysis of coarse-grained molecular dynamics simulations of semiflexible polymer melts in contact with a strongly adsorbing substrate. We have characterized the segments in the interfacial layer by counting the number of trains, loops, tails and unadsorbed segments. For more rigid chains, a tail and an adsorbed segment (a train) dominate while loops are more prevalent in more flexible chains. The tails exhibit a non-uniformly stretched conformation akin to the polydispersed pseudobrush envisioned by Guiselin. To probe the dynamics of the segments we computed the layer z-resolved intermediate coherent collective dynamics structure factor, S(q, t, z), mean-square displacement of segments, and the 2nd Legendre polynomial of the time-autocorrelation of unit bond vectors, 2 [n i (t,z)•n i (0,z)]>. Our results show that segmental dynamics is slower for stiffer chains and there is a strong correlation between the structure and dynamics in the interfacial layer. There is no glassy layer, and the slowing down in dynamics of stiffer chains in the adsorbed region can be attributed to the densification and the more persistent layering of segments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ligand modulation of the conformational dynamics of the A 2A adenosine receptor revealed by single-molecule fluorescence

G protein-coupled receptors (GPCRs) are the largest class of transmembrane proteins, making them an important target for therapeutics. Activation of these receptors is modulated by orthosteric ligands, which stabilize one or several states within a complex conformational ensemble. The intra- and inter-state dynamics, however, is not well documented. Here, we used single-molecule fluorescence to measure ligand-modulated conformational dynamics of the adenosine A 2A receptor (A 2A R) on nanosecond to millisecond timescales. Experiments were performed on detergent-purified A 2R in either the ligand-free (apo) state, or when bound to an inverse, partial or full agonist ligand. Single-molecule Förster resonance energy transfer (smFRET) was performed on detergent-solubilized A 2A R to resolve active and inactive states via the separation between transmembrane (TM) helices 4 and 6. The ligand-dependent changes of the smFRET distributions are consistent with conformational selection and with inter-state exchange lifetimes ≥ 3 ms. Local conformational dynamics around residue 229 6.31 on TM6 was measured using fluorescence correlation spectroscopy (FCS), which captures dynamic quenching due to photoinduced electron transfer (PET) between a covalently-attached dye and proximal aromatic residues. Global analysis of PET-FCS data revealed fast (150–350 ns), intermediate (50–60 μs) and slow (200–300 μs) conformational dynamics in A 2A R, with lifetimes and amplitudes modulated by ligands and a G-protein mimetic (mini-G s ). Most notably, the agonist binding and the coupling to mini-G s accelerates and increases the relative contribution of the sub-microsecond phase. Molecular dynamics simulations identified three tyrosine residues (Y112, Y288 7.53 , and Y290 7.55 ) as being responsible for the dynamic quenching observed by PET-FCS and revealed associated helical motions around residue 229 6.31 on TM6. As a result, this study provides a quantitative description of conformational dynamics in A 2A R and supports the idea that ligands bias not only GPCR conformations but also the dynamics within and between distinct conformational states of the receptor.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Unravel Electronic Structure in Strongly Correlated Materials [Slides]

Outline: Introduction and motivation - Correlated electron materials; Theoretical approaches to strongly correlated materials - First-principles dynamical mean-field theory (DMFT) framework - Applications to f -electron correlation effects; Summary and outlook.

36 MATERIALS SCIENCE↗
NASA NTRS2018

International Space Station Model Correlation Analysis

This paper summarizes the on-orbit structural dynamic data and the related modal analysis, model validation and correlation performed for the International Space Station (ISS) configuration ISS Stage ULF7, 2015 Dedicated Thruster Firing (DTF). The objective of this analysis is to validate and correlate the analytical models used to calculate the ISS internal dynamic loads and compare the 2015 DTF with previous tests. During the ISS configurations under consideration, on-orbit dynamic measurements were collected using the three main ISS instrumentation systems; Internal Wireless Instrumentation System (IWIS), External Wireless Instrumentation System (EWIS) and the Structural Dynamic Measurement System (SDMS). The measurements were recorded during several nominal on-orbit DTF tests on August 18, 2015. Experimental modal analyses were performed on the measured data to extract modal parameters including frequency, damping, and mode shape information. Correlation and comparisons between test and analytical frequencies and mode shapes were performed to assess the accuracy of the analytical models for the configurations under consideration. These mode shapes were also compared to earlier tests. Based on the frequency comparisons, the accuracy of the mathematical models is assessed and model refinement recommendations are given. In particular, results of the first fundamental mode will be discussed, nonlinear results will be shown, and accelerometer placement will be assessed.

Modal Analysis↗
DOE OSTI2014

X-ray Photon Correlation Spectroscopy Studies of Surfaces and Thin Films

The technique of X-ray Photon Correlation Spectroscopy (XPCS) is reviewed as a method for studying the relatively slow dynamics of materials on time scales ranging from microseconds to thousands of seconds and length scales ranging from microns down to nanometers. We focus on the application of this technique to study dynamical fluctuations of surfaces, interfaces and thin films. We first discuss instrumental issues such as the effects of partial coherence (or alternatively finite instrumental resolution) and optimization of signal-to-noise ratios in the experiments. We then review what has been learned from recent XPCS studies of capillary wave fluctuations on liquid surfaces and polymer films, of nanoparticles used as probes to study the interior dynamics of polymer films, of liquid crystals and multilamellar surfactant films, and of metal surfaces, and magnetic domain wall fluctuations in antiferromagnets. We then discuss studies of non-equilibrium dynamics described by 2-time correlation functions. Finally, we briefly speculate on possible future XPCS experiments at new synchrotron sources currently under development including studies of dynamics on time scales down to femtoseconds.

Sinha, Sunil K.↗
NASA NTRS1994

Role of intrinsic width in fragment momentum distributions in heavy ion collisions

It is demonstrated that the intrinsic widths incorporating correlations in conjunction with dynamical contributions give better agreement with experiments for collisions in the energy range of 200 A MeV to 2.4 GeV than using only intrinsic widths without correlations. The sensitivity of the intrinsic width decreases with increasing projectile mass. A simple recipe for calculating intrinsic width correlations is presented.

Townsend, L. W.↗
NASA NTRS2009

ISS Stage 12A Post-Flight Modal Analysis, Model Validation and Correlation

This paper summarizes the on-orbit structural dynamic data and the related modal analysis, model validation and correlation performed for the ISS configurations spanning ISS Stage 12A. The objective of this analysis is to validate and correlate analytical models used to verify the ISS critical interface dynamic loads and improve its fatigue life prediction. On-Orbit dynamic responses were measured during the ISS configurations throughout ISS Stage 12A by the two main ISS instrumentation systems; Internal Wireless Instrumentation System (IWIS) and the Structural Dynamic Measurement System (SDMS). These nominal on-orbit events include Russian vehicle docking and undockings. Also, the ISS photogrammetric system recorded the movements of the 2A and 4A solar arrays during a modified ISS maneuver. Modal analyses were performed on the measured data to extract modal parameters including frequency, damping and mode shapes. Correlation and comparisons between the test and analytical frequencies and mode shapes were performed to assess the accuracy of the analytical models for the ISS configurations under consideration.

Fitzpatrick, Kristin↗
DOE OSTI2025

Combined molecular and spin dynamics simulation of BCC iron with vacancy defects

Utilizing an atomistic computational model, which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects on spin wave excitations in ferromagnetic iron. Fourier transforms of space- and time-displaced correlation functions yield the dynamic structure factor, providing characteristic frequencies and lifetimes of the spin wave modes. A comparison of the system with a 5% vacancy concentration with pure lattice data shows a decrease in frequency and a decrease in lifetime for all transverse spin wave excitations observed. In addition, the clearly defined transverse spin wave excitations are distorted with the introduction of vacancy defects, and we observe reduced excitation lifetimes due to increased magnon–magnon scattering. We observe further evidence of increased magnon–magnon scattering, as the peaks in the longitudinal spin wave spectrum become less distinct. Finally, similar impacts are observed in the vibrational subsystem, with a decrease in characteristic phonon frequency and flattening of lattice excitation signals due to vacancy defects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Cell dynamics simulations of coupled charge and magnetic phase transformation in correlated oxides

In this work, we present a comprehensive numerical study on the kinetics of phase transition that is characterized by two nonconserved scalar order parameters coupled by a special linear-quadratic interaction. This particular Ginzburg-Landau theory has been proposed to describe the coupled charge and magnetic transition in nickelates and the collinear stripe phase in cuprates. The inhomogeneous state of such systems at low temperatures consists of magnetic domains separated by quasimetallic domain walls where the charge order is reduced. By performing large-scale cell dynamics simulations, we find a two-stage phase-ordering process in which a short period of independent evolution of the two order parameters is followed by a correlated coarsening process. The long-time growth and coarsening of magnetic domains is shown to follow the Allen-Cahn power law. We further show that the nucleation-and-growth dynamics during phase transformation to the ordered states is well described by the Kolmogorov-Johnson-Mehl-Avrami theory in two dimensions. On the other hand, the presence of quasimetallic magnetic domain walls in the ordered states gives rise to a very different kinetics for transformation to the high-temperature paramagnetic phase. In this scenario, the phase transformation is initiated by the decay of magnetic domain walls into two insulator-metal boundaries, which subsequently move away from each other. Implications of our findings to recent nano-imaging experiments on nickelates are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Modal simulation of gearbox vibration with experimental correlation

A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predictions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

Choy, Fred K.↗
NASA NTRS1992

Modal simulation of gearbox vibration with experimental correlation

A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predicitions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

Choy, Fred K.↗