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At least 163 records · Page 9

Magnetohydrodynamic turbulence: Observation and experiment

We provide a tutorial on the paradigms and tools of magnetohydrodynamic (MHD) turbulence. The principal paradigm is that of a turbulent cascade from large scales to small, resulting in power law behavior for the frequency power spectrum for magnetic fluctuations E{sub B}(f). We will describe five useful statistical tools for MHD turbulence in the time domain: the temporal autocorrelation function, the frequency power spectrum, the probability distribution function of temporal increments, the temporal structure function, and the permutation entropy. Each of these tools will be illustrated with an example taken from MHD fluctuations in the solar wind. A single dataset from the Wind satellite will be used to illustrate all five temporal statistical tools.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On a theory of stability for nonlinear stochastic chemical reaction networks

We present elements of a stability theory for small, stochastic, nonlinear chemical reaction networks. Steady state probability distributions are computed with zero-information (ZI) closure, a closure algorithm that solves chemical master equations of small arbitrary nonlinear reactions. Stochastic models can be linearized around the steady state with ZI-closure, and the eigenvalues of the Jacobian matrix can be readily computed. Eigenvalues govern the relaxation of fluctuation autocorrelation functions at steady state. Autocorrelation functions reveal the time scales of phenomena underlying the dynamics of nonlinear reaction networks. In accord with the fluctuation-dissipation theorem, these functions are found to be congruent to response functions to small perturbations. Significant differences are observed in the stability of nonlinear reacting systems between deterministic and stochastic modeling formalisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comprehensive comparisons of geodesic acoustic mode characteristics and dynamics between Tore Supra experiments and gyrokinetic simulations

In a dedicated collisionality scan in Tore Supra, the geodesic acoustic mode (GAM) is detected and identified with the Doppler backscattering technique. Observations are compared to the results of a simulation with the gyrokinetic code GYSELA. We found that the GAM frequency in experiments is lower than predicted by simulation and theory. Moreover, the disagreement is higher in the low collisionality scenario. Bursts of non harmonic GAM oscillations have been characterized with filtering techniques, such as the Hilbert-Huang transform. When comparing this dynamical behaviour between experiments and simulation, the probability density function of GAM amplitude and the burst autocorrelation time are found to be remarkably similar. In the simulation, where the radial profile of GAM frequency is continuous, we observed a phenomenon of radial phase mixing of the GAM oscillations, which could influence the burst autocorrelation time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Narayanaswamy’s 1971 aging theory and material time

The Bochkov-Kuzovlev nonlinear fluctuation-dissipation theorem is used to derive Narayanaswamy’s phenomenological theory of physical aging, in which this highly nonlinear phenomenon is described by a linear material-time convolution integral. A characteristic property of the Narayanaswamy aging description is material-time translational invariance, which is here taken as the basic assumption of the derivation. It is shown that only one possible definition of the material time obeys this invariance, namely, the square of the distance travelled from a configuration of the system far back in time. The paper concludes with suggestions for computer simulations that test for consequences of material-time translational invariance. One of these is the “unique-triangles property” according to which any three points on the system’s path form a triangle such that two side lengths determine the third; this is equivalent to the well-known triangular relation for time-autocorrelation functions of aging spin glasses [L. F. Cugliandolo and J. Kurchan, J. Phys. A: Math. Gen. 27, 5749 (1994)]. The unique-triangles property implies a simple geometric interpretation of out-of-equilibrium time-autocorrelation functions, which extends to aging a previously proposed framework for such functions in equilibrium [J. C. Dyre, e-print arXiv:cond-mat/9712222 (1997)].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mammograms restoration by using Wiener filter

Restoration of digital mammograms, as a pre-processing tool, using deconvolution procedures, is analysed. It implies, knowing Modulation Transfer Function (MTF) of the mammography device and the estimation of the mammogram’s noise. Wiener filter is used, as the most objective in mammograms restoration by deconvolution. Using MATLAB program the deconvolution procedures are conducted in two ways with different level of approximation. The first method approximates the noise/signal power ratio by a constant and the second method uses autocorrelation functions of the noise and signals. Abilities and limitations of the methods are analysed and checked by using the raw images of the bar-pattern due to better visualisation of the obtained results. The raw images are obtained at a Computed Radiography (CR) mammography device in Clinical Centre in Podgorica. It is found that quality of the restored image highly depends of knowledge of type and magnitude of noise. In the both methods spatial resolution of the restored images are improved, but much better in a case where autocorrelation functions of the noise and signal are used. This procedure is proposed as an objective pre-processing tool to put back imperfectness of mammography devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Asymptotic neutron scattering laws for anomalously diffusing quantum particles

The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t{sup α}, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons

The role of internal motions and molecular geometry on 1 H NMR relaxation rates in liquid-state hydrocarbons is investigated using MD (molecular dynamics) simulations of the autocorrelation functions for intramolecular and intermolecular 1 H– 1 H dipole-dipole interactions. The effects of molecular geometry and internal motions on the functional form of the autocorrelation functions are studied by comparing symmetric molecules such as neopentane and benzene to corresponding straight-chain alkanes n-pentane and n-hexane, respectively. Comparison of rigid versus flexible molecules shows that internal motions cause the intramolecular and intermolecular correlation-times to get significantly shorter, and the corresponding relaxation rates to get increasingly smaller, especially for longer-chain n-alkanes. Site-by-site simulations of 1 H’s across the chains indicate significant variations in correlation times and relaxation rates across the molecule, and comparison with measurements reveals insights into cross-relaxation effects. Moreover, the simulations reveal new insights into the relative strength of intramolecular versus intermolecular relaxation as a function of internal motions, as a function of molecular geometry, and on a site-by-site basis across the chain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Determining velocity of detonation using high-resolution time domain reflectometry

Two methods are presented to make measurements of the length of a coaxial cable with submillimeter and submicrosecond accuracy. If the cable is destroyed by the passage of a strong shock, for instance, from the detonation of an explosive, a measure of the phase velocity of the detonation (VOD) can be obtained with high accuracy (≈0.25%). The first method introduces a series of short Gaussian electrical pulses (<300 ps) into the cable that reflect off the cable end and are compared to the time of the original outgoing pulse by using a fast digitizer (100 gigasamples per second). By curve fitting a Gaussian form to the outgoing and reflected pulses, a measurement of the cable length can be made with subsample accuracy. So, as long as the pulses do not overlap, a large number may be present in the cable at any time allowing pulse repetition rates of 40–135 MHz depending on the cable length. Averaging allows accurate VOD measurements to be made that are comparable with the best traditional techniques. The second method replaces the pulser with a wide-spectrum (0.1–10 GHz) amplified random noise source. A similar setup and digitizer are used before autocorrelating short (80–160 ns) subsamples of the total waveform to measure the reflected delay time. That is, a smaller amplitude version of the original waveform appears time shifted by twice the transit time in the cable and this time is estimated via autocorrelation. The advantage of this method is that a new subsample needs only to be selected from a time increment in which new spectral information is present for a new measure of the length to be made. In this manner, many more length estimates can be averaged to establish the VOD than with the Gaussian approach. As a result, a detailed description of the implementation of both methods is presented together with an example of the type of data collected and limitations found.

47 OTHER INSTRUMENTATION↗

Electrical conductivity, ion pairing, and ion self-diffusion in aqueous NaCl solutions at elevated temperatures and pressures

We have performed classical molecular dynamics (MD) simulations of aqueous sodium chloride (NaCl) solutions from 298 to 674 K at 200 bars to understand the influence of ion pairing and ion self-diffusion on electrical conductivity in high-temperature/high-pressure salt solutions. Conductivity data obtained from the MD simulation highlight an apparent anomaly, namely, a conductivity maximum as temperature increases along an isobar, which has been also observed in experimental studies. By examining both velocity autocorrelation and cross-correlation terms of the Green-Kubo integral, we quantitatively demonstrate that the conductivity anomaly arises mainly from a competition between the single-ion self-diffusion and the contact ion pair formation. The velocity autocorrelation function in conjunction with structural analysis suggests that diffusive motion of ions is suppressed at high temperatures due to the persistence of an inner hydration shell. Here, the contribution of velocity cross-correlation functions between oppositely charged ions becomes significant at the onset of the conductivity decrease. Structural analysis based on Voronoi tessellation and pair correlation functions indicates that the fraction of contact ion pairs increases as temperature increases. Spatial decomposition of the electrical conductivity also indicates that the formation of contact ion pairs significantly decreases the electrical conductivity compared to Nernst-Einstein conductivity, but the contribution of distant opposite charges cannot be ignored except at the highest temperature due to unscreened long-range interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling

In the Monte Carlo many-body perturbation (MC-MP) method, the conventional correlation-correction formula, which is a long sum of products of low-dimensional integrals, is first recast into a short sum of high-dimensional integrals over electron-pair and imaginary-time coordinates. These high-dimensional integrals are then evaluated by the Monte Carlo method with random coordinates generated by the Metropolis–Hasting algorithm according to a suitable distribution. The latter algorithm, while advantageous in its ability to sample nearly any distribution, introduces autocorrelation in sampled coordinates, which in turn increases the statistical uncertainty of the integrals and thus the computational cost. It also involves wasteful rejected moves and an initial “burn-in” step as well as displays hysteresis. Here, an algorithm is proposed that directly produces a random sequence of electron-pair coordinates for the same distribution used in the MC-MP method, which is free from autocorrelation, rejected moves, a burn-in step, or hysteresis. Furthermore, this direct-sampling algorithm is shown to accelerate second- (MC-MP2) and third-order Monte Carlo many-body perturbation (MC-MP3) calculations by up to 222% and 38%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncovering surface plasmon optical resonances in nanohole arrays through interferometric photoemission electron microscopy

In this work, the role of surface plasmon polaritons (SPPs) in nanohole array optical extinction spectra is explored using a time-resolved technique capable of isolating the air/metal interfacial SPP contribution to the typical Fano profile in optical transmission curves. A pair of interferometrically locked broad-band femtosecond pulses is used to launch SPPs from lithographically patterned plasmonic nanohole arrays. SPPs launched in the co- and counter-propagating directions are probed using a third probe pulse in a photoemission electron microscope. Using this approach, we record interferometric SPP–SPP linear autocorrelations that selectively report on the resonances of SPPs launched from arrays of varying pitches and hole diameters. Aside from advancing an approach to selective SPP spectroscopy, we illustrate that resonant coupling in the counter-propagating direction may be exploited to control the spatial, temporal, and spectral characteristics of SPPs. For the counter-propagating direction, we show that tuning the array pitch near the fundamental plasmon resonance generates color-tuned (~770–820 nm), narrow bandwidth SPPs, and the bandwidth may be controlled by changing the ratio of pitch to hole diameter. The SPP resonances we recover through Fourier transforms of the interferometric autocorrelations shed light on the classical problem of Fano interference in nanohole array extinction spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results

Structural and vibrational properties of aqueous solutions of alkali hydroxides (LiOH, NaOH, and KOH) are computed using quantum molecular dynamics simulations for solute concentrations ranging between 1 and 10M. Element-resolved partial radial distribution functions, neutron and x-ray structure factors, and angular distribution functions are computed for the three hydroxide solutions as a function of concentration. The vibrational spectra and frequency-dependent conductivity are computed from the Fourier transforms of velocity autocorrelation and current autocorrelation functions. Our results for the structure are validated with the available neutron data for 17M concentration of NaOH in water [Semrouni et al., Phys. Chem. Chem. Phys. 21, 6828 (2019)]. We found that the larger ionic radius [rLi+

Chemistry↗

Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.

Yang, Nan↗

0.94-2.42 μm ground-based transmission spectra of the hot Jupiter HD-189733b

We present here new transmission spectra of the hot Jupiter HD-189733b using the SpeX instrument on the NASA Infrared Telescope Facility. We obtained two nights of observations where we recorded the primary transit of the planet in the J, H, and K bands simultaneously, covering a spectral range from 0.94 to 2.42 μm. We used Fourier analysis and other detrending techniques validated previously on other data sets to clean the data. We tested the statistical significance of our results by calculating the autocorrelation function, and we found that, after the detrending, autocorrelative noise is diminished at most frequencies. Additionally, we repeated our analysis on the out-of-transit data only, showing that the residual telluric contamination is well within the error bars. While these techniques are very efficient when multiple nights of observations are combined together, our results prove that even one good night of observations is enough to provide statistically meaningful data. Our observed spectra are consistent with space-based data recorded in the same wavelength interval by multiple instruments, indicating that ground-based facilities are becoming a viable and complementary option to spaceborne observatories. The best fit to the features in our data was obtained with water vapor. Our error bars are not small enough to address the presence of additional molecules; however, by combining the information contained in other data sets with our results, it is possible to explain all the available observations with a modeled atmospheric spectrum containing water vapor, methane, carbon monoxide, and hazes/clouds.

79 ASTRONOMY AND ASTROPHYSICS↗

DYNAMICS OF SELF-GRAVITY WAKES IN DENSE PLANETARY RINGS. I. PITCH ANGLE

We investigate the dynamics of self-gravity wakes in dense planetary rings. In particular, we examine how the pitch angles of self-gravity wakes depend on ring parameters using N-body simulations. We calculate the pitch angles using the two-dimensional autocorrelation function of the ring surface density. We obtain the pitch angles for the inner and outer parts of the autocorrelation function separately. We confirm that the pitch angles are 15°–30° for reasonable ring parameters, which are consistent with previous studies. We find that the inner pitch angle increases with the Saturnicentric distance, while it barely depends on the optical depth and the restitution coefficient of ring particles. The increase of the inner pitch angle with the Saturnicentric distance is consistent with the observations of the A ring. The outer pitch angle does not have a clear dependence on any ring parameters and is about 10°–15°. This value is consistent with the pitch angle of spiral arms in collisionless systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Dark Energy Survey Year 3 results: magnification modelling and impact on cosmological constraints from galaxy clustering and galaxy–galaxy lensing

We study the effect of magnification in the Dark Energy Survey Year 3 analysis of galaxy clustering and galaxy–galaxy lensing, using two different lens samples: a sample of luminous red galaxies, redMaGiC, and a sample with a redshift-dependent magnitude limit, MagLim. We account for the effect of magnification on both the flux and size selection of galaxies, accounting for systematic effects using the Balrog image simulations. We estimate the impact of magnification on the galaxy clustering and galaxy–galaxy lensing cosmology analysis, finding it to be a significant systematic for the MagLim sample. We show cosmological constraints from the galaxy clustering autocorrelation and galaxy–galaxy lensing signal with different magnifications priors, finding broad consistency in cosmological parameters in ΛCDM and wCDM. However, when magnification bias amplitude is allowed to be free, we find the two-point correlation functions prefer a different amplitude to the fiducial input derived from the image simulations. We validate the magnification analysis by comparing the cross-clustering between lens bins with the prediction from the baseline analysis, which uses only the autocorrelation of the lens bins, indicating that systematics other than magnification may be the cause of the discrepancy. We show that adding the cross-clustering between lens redshift bins to the fit significantly improves the constraints on lens magnification parameters and allows uninformative priors to be used on magnification coefficients, without any loss of constraining power or prior volume concerns.

79 ASTRONOMY AND ASTROPHYSICS↗

Measuring and unbiasing the BAO shift in the Ly α forest with AbacusSummit

ABSTRACT The Dark Energy Spectroscopic Instrument (DESI) places sub- per cent constraints on measurements of the Baryon Acoustic Oscillation (BAO) scaling parameters from the Ly $\alpha$ forest. However, no systematic error budget stemming from non-linearities in the three-dimensional clustering of the Ly $\alpha$ forest is included in the DESI-Ly $\alpha$ analysis. In this work, we measure the size of the shift of the BAO peak using large Ly $\alpha$ forest mocks produced on the N-body simulation suite AbacusSummit, which adopt the Fluctuating–Gunn–Peterson Approximation (FGPA). Specifically, we measure the Ly $\alpha$ autocorrelation and the Ly $\alpha$-quasar cross-correlation functions. To mitigate the noise, we adopt a linear control variates technique, reducing the error bars by a factor of up to $\sim \sqrt{50}$ on large scales. From the autocorrelation, we detect a small positive shift in radial direction of $\Delta \alpha _{\parallel }= 0.35~{{\ \rm per\ cent}}$ at the 3$\sigma$ level and virtually no shift in the transverse direction, $\alpha _\perp$. From the cross-correlation, we see a similar shift to $\Delta \alpha _\parallel$, albeit with larger error bars, and a small negative shift, $\Delta \alpha _{\perp }=\sim$0.25 per cent, at the 2$\sigma$ level. We also make a connection with the Ly $\alpha$ forest effective field theory (EFT) framework and find that the one-loop EFT power spectrum yields unbiased measurements of the BAO shift parameters in radial and transverse direction for Ly $\alpha$ auto- and the Ly $\alpha$-quasar cross-correlation measurements. When using the one-loop EFT framework, we find that we can recover the BAO parameters without a shift, which has important implications for future Ly $\alpha$ forest analyses based on EFT. This work paves the way for novel full-shape analyses of the currently observing DESI and future surveys such as the PFS, WEAVE-QSO, and 4MOST.

Hadzhiyska, Boryana↗