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At least 451 records · Page 25

Dynamic EKG Study

The use of the dynamic EKG study as a part of periodic health examination is considered to be a valuable complement to other forms of stress testing with its ability to detect abnormal heart responses to stress stimuli. It is believed that statistical correlations of dynamic EKG findings with physical examination results contribute greatly to the understanding of cardiac abnormalities.

Fleck, R. L.↗

JT15D simulated flight data evaluation

The noise characteristics of the JT15D turbofan engine was analyzed with the objectives of: (1) assessing the state-of-art ability to simulate flight acoustic data using test results acquired in wind tunnel and outdoor (turbulence controlled) environments; and (2) predicting the farfield noise directivity of the blade passage frequency (BPF) tonal components using results from rotor blade mounted dynamic pressure instrumentation. Engine rotor tip speeds at subsonic, transonic, and supersonic conditions were evaluated. The ability to simulate flight results was generally within 2-3 dB for both outdoor and wind tunnel acoustic results. Some differences did occur in the broadband noise level and in the multiple-pure-tone harmonics at supersonic tip speeds. The prediction of blade passage frequency tone directivity from dynamic pressure measurements was accomplished for the three tip speed conditions. Predictions were made of the random and periodic components of the tone directivity. The technique for estimating the random tone component used hot wire data to establish a correlation between dynamic pressure and turbulence intensity. This prediction overestimated the tone level by typically 10 dB with the greatest overestimates occurring at supersonic conditions.

Holm, R. G.↗

Tuning linear response dynamics near the Dirac points in the bosonic Mott insulator

Optical lattice systems offer the possibility of creating and tuning Dirac points which are present in the tight-binding lattice dispersions. For example, such a behavior can be achieved in the staggered flux lattice or honeycomb type of lattices. Here we focus on the strongly correlated bosonic dynamics in the vicinity of Dirac points. In particular, we investigate bosonic Mott insulator phase in which quasiparticle excitations have a simple particle–hole interpretation. We show that linear response dynamics around Dirac points, can be significantly engineered at least in two ways: by the type of external perturbation or by changing the lattice properties. The key role is played by the interband transitions. Moreover, we explain that the behavior of these transitions is directly connected to different energy scales of the effective hopping amplitudes for particles and holes. Presented in this work theoretical study about tunability of linear response dynamics near the Dirac points can be directly simulated in the optical lattice systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Unified understanding of the impact of semiflexibility, concentration, and molecular weight on macromolecular-scale ring diffusion

Conformationally fluctuating, globally compact macromolecules such as polymeric rings, single-chain nanoparticles, microgels, and many-arm stars display complex dynamic behaviors due to their rich topological structure and intermolecular organization. Synthetic rings are hybrid objects with conformations that display both ideal random walk and compact globular features, which can serve as models of genomic DNA. To date, emphasis has been placed on the effect of ring molecular weight on their unusual behaviors. Here, we combine simulations and a microscopic force-level theory to build a unified understanding for how key aspects of ring dynamics depend on different tunable molecular properties including backbone rigidity, monomer concentration, degree of traditional entanglement, and molecular weight. Our large-scale molecular dynamics simulations of ring melts with very different backbone stiffnesses reveal unanticipated behaviors which agree well with our generalized theory. This includes a universal master curve for center-of-mass diffusion constants as a function of molecular weight scaled by a chemistry and thermodynamic state-dependent critical molecular weight that generalizes the concept of an entanglement cross-over for linear chains. The key physics is how backbone rigidity and monomer concentration induced changes of the entanglement length, interring packing, degree of interpenetration, and liquid compressibility slow down space-time dynamic-force correlations on macromolecular scales. A power law decay of the center-of-mass diffusion constant with inverse molecular weight squared is the first consequence, followed by an ultraslow activated hopping transport regime. Our results set the stage to address slow dynamics and kinetic arrest in different families of compact synthetic and biological polymeric systems.

Science & Technology - Other Topics↗

Charge transport in organic crystals: Critical role of correlated fluctuations unveiled by analysis of Feynman diagrams

Organic crystals have unique charge transport properties that lie somewhere between delocalised band-type transport and localised hopping transport. In this paper, we use a stochastic tight-binding model to explore how dynamical disorder in organic crystals affects charge transport. By analysing the model in terms of Feynman diagrams (virtual processes), we expose the crucial role of correlated dynamical disorder to the charge transport dynamics in the model at short times in the order of a few hundred femtoseconds. Under correlated dynamical disorder, the random motions of molecules in the crystal allow for low-energy “bonding”-type interactions between neighboring molecular orbitals can persist over long periods of time. On the other hand, the dependence of charge transport on correlated dynamical disorder also tends to localize the charge, as correlated disorder cannot persist far in space. This concept of correlation may be the “missing link” for describing the intermediate regime between band transport and hopping transport that occurs in organic crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rotation curves and dynamical masses of MaNGA barred galaxies

In this paper we analyse a sample of 46 barred galaxies of MaNGA. Our goal is to investigate the stellar kinematics of these galaxies and obtain their rotation curves. Additionally, we aim to derive the total stellar and dynamical masses, as well as the maximum rotation velocity, in order to examine their distributions and scaling relations. Using the Pipe3D dataproducts publicly available we obtained the rotation curves, which were fitted considering two components of an axisymmetric Miyamoto–Nagai gravitational potential. We found a wide range of the maximum rotation velocities (117–340 ${\rm km\, s^{-1}}$), with a mean value of 200 ${\rm km\, s^{-1}}$. In addition we found that the total stellar and dynamical masses are in the range of log(M star /M ⊙ ) = 10.1−11.5, with a mean value of log(M star /M ⊙ ) = 10.8, and log(M dyn /M ⊙ ) = 10.4−12.0, with a mean value of log(M dyn /M ⊙ ) = 11.1, respectively. We found a strong correlation between dynamical mass and maximum velocity, between maximum velocity and magnitude, and between stellar mass and maximum velocity. According to these results, barred galaxies exhibit similar behaviour to that of normal spiral galaxies with respect to these relations, as well as in terms of the distribution of their dynamical mass and maximum rotation velocity. However, we found that the distribution of stellar masses of barred galaxies is statistically different from other samples including non-barred galaxies. Finally, analysing the galaxies that show nuclear activity, we find no difference with the rotation curves of normal galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Single-ion properties of the S eff = 1 2 XY antiferromagnetic pyrochlores Na A ' Co 2 F 7 ( A ' = Ca 2 + , Sr 2 + )

The antiferromagnetic pyrochlore material NaCaCo 2 F 7 is a thermal spin liquid over a broad temperature range (≈140 K down to T F =2.4 K), in which magnetic correlations between Co 2+ dipole moments explore a continuous manifold of antiferromagnetic XY states. The thermal spin liquid is interrupted by spin freezing at a temperature that is ~2% of the mean-field interaction strength, leading to short-range static XY clusters with distinctive relaxation dynamics. Here we report the low-energy inelastic neutron scattering response from the related compound NaSrCo 2 F 7 , confirming that it hosts the same static and dynamic spin correlations as NaCaCo 2 F 7 . We then present the single-ion levels of Co 2+ in these materials as measured by inelastic neutron scattering. An intermediate spin-orbit coupling model applied to an ensemble of trigonally distorted octahedral crystal fields accounts for the observed transitions. The single-ion ground state of Co 2+ is a Kramers doublet with a strongly XY-like g tensor ( gxy/gz ~3). The local disorder inherent from the mixed pyrochlore A sites (Na + /Ca 2+ and Na + /Sr 2+ ) is evident in these measurements as exaggerated broadening of some of the levels. A simple model that reproduces the salient features of the single-ion spectrum produces approximately 8.4% and 4.1% variation in the z and xy components of the g tensor, respectively. In conclusion, this study confirms that an S eff = 1/2 model with XY antiferromagnetic exchange and weak exchange disorder serves as a basic starting point in understanding the low-temperature magnetic behavior of these strongly frustrated magnets.

36 MATERIALS SCIENCE↗

Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr 2 IrO 4 films observed by femtosecond X-ray pulses

We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr 2 IrO 4 film by femtosecond X-ray diffraction using a laser plasma-based X-ray source. The ultrafast structural dynamics of Sr 2 IrO 4 thin films are determined by observing the shift and broadening of (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by photoinduced quasiparticles (QPs). Employing a normalized phonon propagation model, we found that the photoinduced angular shifts of the Bragg peak collapse into a universal curve after introducing normalizedn coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, we report a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Polarization-dependent exciton dynamics in tetracene single crystals

We conduct polarization-dependent ultrafast spectroscopy to study the dynamics of singlet fission (SF) in tetracene single crystals. The spectrotemporal species for singlet and triplet excitons in transient absorption spectra are found to be strongly dependent on probe polarization. By carefully analyzing the polarization dependence, the signals contributed by different transitions related to singlet excitons have been disentangled, which is further applied to construct the correlation between dynamics of singlet and triplet excitons. The anisotropy of exciton dynamics provides an alternative approach to tackle the long-standing challenge in understanding the mechanism of singlet fission in organic semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for x ranging from 0 up to 0.3, with particular emphasis on the effect of doping on the Cu(2+) magnetic correlations and dynamics, are reviewed. In the low doping limit, x less than or equal to 0.05, the results can be interpreted consistently in terms of a simple phenomenological 'two-fluids' model whereby the effect of thermally-activated mobile O(2p) holes is the one of disrupting locally the Cu(2+) spin correlations. For x greater than or equal to 0.1, the results indicate the onset, as T approaches T(sub c)(+), of a strong coupling between Cu(2+) spins and the Fermi liquid of O(2p) holes leading to the apparent disappearance of localized Cu(2+) moment in connection with the opening of a superconducting gap.

Borsa, F.↗

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond the limitations imposed upon synchrotron measurements by radiation damage. The need for very short XFEL pulses is relieved through gating of Bragg diffraction by loss of crystalline order as damage progresses, but not if ionization events are spatially non-uniform due to underlying elemental distributions, as in biological samples. Indeed, correlated movements of iron and sulfur ions were observed in XFEL-irradiated ferredoxin microcrystals using unusually long pulses of 80 fs. Here, we report a femtosecond time-resolved X-ray pump/X-ray probe experiment on protein nanocrystals. We observe changes in the protein backbone and aromatic residues as well as disulfide bridges. Simulations show that the latter’s correlated structural dynamics are much slower than expected for the predicted high atomic charge states due to significant impact of ion caging and plasma electron screening. This indicates that dense-environment effects can strongly affect local radiation damage-induced structural dynamics.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Ultrafast hole relaxation dynamics in quantum dots revealed by two-dimensional electronic spectroscopy

Elucidating the population dynamics of correlated electron-hole pairs (bound excitons) in semiconducting quantum dots (QDs) is key for developing our fundamental understanding of nanoscale photophysics as well as for the optimal design of devices, such as lasers. For decades, it was assumed that holes did not contribute to band edge bleach signals in QDs. Here, we employ two-dimensional electronic spectroscopy to monitor electron and hole dynamics in both CdSe and CdSe/CdS/ZnS QDs to probe electron and hole dynamics. Based on a combination of time and frequency resolution, we observe a previously unresolved bleaching signal in CdSe QDs on timescales faster than 30 fs due to hole cooling. Atomistic semiempirical pseudopotential calculations are used to rationalize the order of magnitude difference in the observed hole dynamics in CdSe and CdSe/CdS/ZnS QDs. This picture advances our understanding of QD excitonics past the prevailing continuum effective mass theories generally used to describe QD electronic structure and dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing Complexity using the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS)

The goal of our research program is to investigate fundamental interactions between photons and molecular/nano-systems to advance our quantitative understanding of electron correlations, charge transfer and many body phenomena. Our research projects focus on probing, on a femtosecond time-scale, multi-electron interactions and tracing nuclear motion in order to understand, and ultimately control energy flow and charge transfer processes from electromagnetic radiation to matter. The experiments will be carried out with state of the art instrumentation built by the P.I. team with funds from a DoE "Single Investigator and Small Group Research" (SISGR) grant. The research projects carried out the past three years consisted of first experiments using the Linac Coherent Light Source (LCLS) x-ray free electron laser (FEL) facility at the SLAC National Laboratory, as well as the study of correlated processes in select anions using the Advanced Light Source (ALS). A report for the past cycle is described in section II. These studies have paved the way for our renewal application for the next three years. Our research interests for the next three years extend our past and present research by carrying out time-resolved measurements described in section III. They will consist of: a) The study of molecular dynamics that happen on ultrafast time scales, using pump-probe schemes and the study of non-linear physics in the x-ray regime via multi-photon absorption from the LCLS. This will be achieved by measuring and examining both electronic and nuclear dynamics subsequent to the interaction of molecules and nano-systems with LCLS pulses of various wavelength, intensity and pulse duration as described in section III.A. b) The study of molecular dynamics and correlated processes via absorption of vuv-soft x-rays from the Advanced Light Source (ALS) at Lawrence Berkeley Laboratory to provide single-photon ionization baseline results for LCLS studies. In addition, we will study the photodetachment of anions using the ALS as described in section III. B. The PI has an ALS approved program (AP) thus has guaranteed beamtime. Our research underpins several aspects of the DOE mission since our investigations of the formation and evolution of energized states in molecules and nanostructures provides a fundamental basis for understanding elementary processes in solar energy conversion and radiation-induced chemistry. Most of our work is carried out in a strong partnership with theorists. Our proposed work falls in the class of research reported to be timely and necessary by the 2013 DoE Basic Energy Sciences Advisory Committee (BESAC) Subcommittee report on Future X-ray Light Sources. Specifically, our proposed experiments fall in the category labeled class II, “Spectroscopy and Dynamics with FELs”.

74 ATOMIC AND MOLECULAR PHYSICS↗

Glucose Metabolism Gene Expression Patterns and Tumor Uptake of {sup 18}F-Fluorodeoxyglucose After Radiation Treatment

Purpose: To investigate whether radiation treatment influences the expression of glucose metabolism genes and compromises the potential use of {sup 18}F-fluorodeoxyglucose positron emission tomography (FDG-PET) as a tool to monitor the early response of head and neck cancer xenografts to radiation therapy (RT). Methods and Materials: Low passage head and neck squamous cancer cells (UT14) were injected to the flanks of female nu/nu mice to generate xenografts. After tumors reached a size of 500 mm{sup 3} they were treated with either sham RT or 15 Gy in 1 fraction. At different time points, days 3, 9, and 16 for controls and days 4, 7, 12, 21, 30, and 40 after irradiation, 2 to 3 mice were assessed with dynamic FDG-PET acquisition over 2 hours. Immediately after the FDG-PET the tumors were harvested for global gene expression analysis and immunohistochemical evaluation of GLUT1 and HK2. Different analytic parameters were used to process the dynamic PET data. Results: Radiation had no effect on key genes involved in FDG uptake and metabolism but did alter other genes in the HIF1α and glucose transport–related pathways. In contrast to the lack of effect on gene expression, changes in the protein expression patterns of the key genes GLUT1/SLC2A1 and HK2 were observed after radiation treatment. The changes in GLUT1 protein expression showed some correlation with dynamic FDG-PET parameters, such as the kinetic index. Conclusion: {sup 18}F-fluorodeoxyglucose positron emission tomography changes after RT would seem to represent an altered metabolic state and not a direct effect on the key genes regulating FDG uptake and metabolism.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

In situ observations of reacting Al/Fe 2 O 3 thermite: Relating dynamic particle size to macroscopic burn time

Time-resolved x-ray imaging is used to capture high-resolution images of the Al/Fe 2 O 3 thermite reaction as it proceeds in an extended burn tube. The observed thermite reaction products are generally large, multi-phase composite particles. Image processing algorithms are developed to extract a continuous record of composite particle size as a function of time and distance from the ignition point. Small particles are observed immediately after ignition, followed by a rapid increase in particle size and a gradual decline toward late times. Correlating the dynamic particle size with visible light emission from the reaction, we propose a two-stage mechanism where the combination of early ignition and delayed expansion causes the material closest to the ignition point to undergo substantial coalescence before it begins moving down the tube. We also identify two mechanisms that may contribute to particle size refinement at late times, both based on the collapse of large gas bubbles that are observed preferentially in particles at earlier times. A new approach to extracting burn times from luminous intensity data is explored, and we find that a more nuanced analysis of burn time and luminous intensity may help to improve reactivity assessments when data from in situ studies is unavailable.

36 MATERIALS SCIENCE↗

Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer

We examine the extent to which the exchange-correlation (XC) approximation influences modeling interfacial charge transfer using fewest-switches surface hopping (FSSH) simulations within the single-particle description. A heterogeneous interface between a lithium ion and an extended boron-nitride sheet was considered here, being an extreme case in which wave function localization and energy level alignments are highly sensitive to the XC approximation. The PBE0 hybrid XC approximation yields nonadiabatic couplings (NACs) that are significantly smaller than the values obtained from the PBE-GGA approximation by an order of magnitude for localized electronic states. This difference between the two XC functionals for the calculated NACs was found to derive mainly from the wave function characteristics rather than from the lattice movement although first-principles molecular dynamics trajectories, along which NACs are obtained, differ noticeably between the two XC functionals. Using the NACs and single-particle energy level alignments at different levels of theory, FSSH simulations were performed to model the electron transfer dynamics at the interface. Here, the electron transfer time scale was found to vary as much as, but not more than, 1 order of magnitude. The time scale was found to be quite sensitive to both NACs and energy level alignments. While the order of magnitude consistency for the charge transfer rate is encouraging even for this rather extreme model of heterojunction interface, continued advancement in electronic structure methods is required for quantitatively accurate determination of the transfer rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phonons, Q-dependent Kondo spin fluctuations, and 4f phonon resonance in YbAl 3

4f intermediate valence (IV) compounds are canonical hosts of correlated electron physics and can contribute to our understanding of the larger class of correlated electron materials. In this work, we study the prototype IV compound YbAl 3 which exhibits a nonintegral valence with a moderately heavy fermion ground state and a large Kondo temperature (T K ~500–600K). To better characterize the correlated physics of YbAl 3 , we have measured the phonon and the magnetic excitation spectra on single crystals of this material by time-of-flight inelastic neutron scattering and inelastic x-ray scattering. We have also performed theoretical calculations of the phonon spectra. We present three findings of these measurements. First, we observe that the measured phonon spectra can be described adequately by a calculation based on standard DFT+U density functional theory. The calculated energies, however, are 10% too low compared to the measured energies. This discrepancy may reflect a hardening of the phonons due to dynamic 4f correlations. Second, the low-temperature spin fluctuations on the Kondo energy scale k B T K have a momentum (Q) dependence similar to that seen recently in the IV compound CePd 3 . For that system, the Q dependence has been attributed to particle-hole excitations in a coherent itinerant 4f correlated ground state. We suggest a similar origin for the momentum dependence seen in YbAl 3 . This Q dependence disappears as the temperature is raised towards room temperature and the 4f electron band states become increasingly incoherent. Such a coherent/incoherent crossover is expected to be generic for correlated electron systems. Third, a low-temperature magnetic peak observed in the neutron scattering near 30 meV shows dispersion identical to a particular optic-phonon branch. This 4f/phonon resonance disappears for T≥150K. The phonon spectrum appears to be unaffected by the resonance. We discuss several possibilities for the origin of this unusual excitation, which may be unique to YbAl 3 . We suggest that the excitation may arise from the large amplitude beating of the light Al atoms against the heavy Yb atoms, resulting in a dynamic 4f/3p hybridization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Imprint of the Sun’s Evolving Polar Winds on IBEX Energetic Neutral Atom All-sky Observations of the Heliosphere

With 7 years of Interstellar Boundary Explorer ( IBEX ) measurements of energetic neutral atoms (ENAs), IBEX has shown a clear correlation between dynamic changes in the solar wind and the heliosphere’s response in the formation of ENAs. In this paper, we investigate temporal variations in the latitudinal-dependent ENA spectrum from IBEX and their relationship to the solar wind speed observed at 1 au. We find that the variation in latitude of the transition in ENA spectral indices between low (≲1.8) and high (≳1.8) values, as well as the distribution of ENA spectral indices at high and low latitudes, correlates well with the evolution of the fast and slow solar wind latitudinal structure observed near 1 au. This correlation includes a delay due to the time it takes the solar wind to propagate to the termination shock and into the inner heliosheath, and for ENAs to be generated via charge-exchange and travel back toward 1 au. Moreover, we observe a temporal asymmetry in the steepening of the ENA spectrum in the northern and southern hemispheres, consistent with asymmetries observed in the solar wind and polar coronal holes. While this asymmetry is observed near the upwind direction of the heliosphere, it is not yet observed in the tail direction, suggesting a longer line-of-sight integration distance or different processing of the solar wind plasma downstream of the termination shock.

79 ASTRONOMY AND ASTROPHYSICS↗