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At least 613 records · Page 34

The Net Decay Time of Anomalies in Concentrations of Atmospheric Pollutants

This paper introduces a new parameter to characterize the random component in temporal variability of atmospheric pollutants and proposes a simple statistical technique for its evaluation. That parameter is the net decay time (or the time scale) of the local anomalies in concentrations of atmospheric pollutants, rather than the traditionally used chemical lifetimes of total amounts of the species. Using widely available data of hourly multi-year surface trace gas pollutant concentrations we demonstrate a simplified way to estimate the net decay time with an exponential approximation of lag-correlation functions. We assessed the decay times of fluctuations in observations of eight atmospheric pollutants (SO2, NO, NO2, NOy, O3, CO, NH3, and HNO3) at two urban sites and one cleaner rural site in the Eastern US. The time scales of temporal fluctuations (net decay times) vary from about one hour to slightly more than one day. These scales are generally much shorter in urban environments than in remote regions. We also compared day- and night-time observations in warm and cold seasons. At night in the cold season, time scales of fluctuations in atmospheric pollutants are usually the longest. Such estimates should be useful to air quality prediction, public health, and satellite remote sensing research communities.

air quality prediction↗

Simultaneous Retrieval of Surface Roughness Parameters for Bare Soils from Combined Active-Passive Microwave SMAP Observations

An active-passive microwave retrieval algorithm for simultaneous determination of soil surface roughness parameters [vertical root-mean-square (RMS) height (s) and horizontal correlation length (l)] is presented for bare soils. The algorithm is based on active-passive microwave covariation, including the improved Integral Equation Method (I²EM), and is tested with global soil moisture active passive (SMAP) observations. The estimated retrieval results for s and l are overall consistent with values in the literature, indicating the validity of the proposed algorithm. Sensitivity analyses showed that the developed roughness retrieval algorithm is independent of permittivity for εₛ > 10 [-]. Furthermore, the physical model basis of this approach (I²EM) allows the application of different autocorrelation functions (ACF), such as Gaussian and exponential ACFs. Global roughness retrieval results confirm bare areas in deserts such as Sahara or Gobi. However, the type of ACF used within roughness parameter estimation is important. Retrieval results for the Gaussian ACF describe a rougher surface than retrieval results for the exponential ACF. No correlations were found between roughness results and the amount of precipitation or the soil texture, which could be due to the coarse spatial resolution of the SMAP data. The extension of this approach to vegetated soils is planned as an add-on study.

correlation length↗

Simultaneous Retrieval of Surface Roughness Parameters for Bare Soils From Combined Active–Passive Microwave SMAP Observations

An active–passive microwave retrieval algorithm for simultaneous determination of soil surface roughness parameters [vertical root-mean-square (RMS) height ( s ) and horizontal correlation length ( l )] is presented for bare soils. The algorithm is based on active–passive microwave covariation, including the improved Integral Equation Method (I(exp 2) EM), and is tested with global soil moisture active passive (SMAP) observations. The estimated retrieval results for s and l are overall consistent with values in the literature, indicating the validity of the proposed algorithm. Sensitivity analyses showed that the developed roughness retrieval algorithm is independent of permittivity for E(sub s) > 10 [-]. Furthermore, the physical model basis of this approach (I(exp 2) EM) allows the application of different autocorrelation functions (ACF), such as Gaussian and exponential ACFs. Global roughness retrieval results confirm bare areas in deserts such as Sahara or Gobi. However, the type of ACF used within roughness parameter estimation is important. Retrieval results for the Gaussian ACF describe a rougher surface than retrieval results for the exponential ACF. No correlations were found between roughness results and the amount of precipitation or the soil texture, which could be due to the coarse spatial resolution of the SMAP data. The extension of this approach to vegetated soils is planned as an add-on study.

Correlation length↗

Statistical analysis and modeling of intermittent transport events in the tokamak scrape-off layer

The turbulence observed in the scrape-off-layer of a tokamak is often characterized by intermittent events of bursty nature, a feature which raises concerns about the prediction of heat loads on the physical boundaries of the device. It appears thus necessary to delve into the statistical properties of turbulent physical fields such as density, electrostatic potential, and temperature, focusing on the mathematical expression of tails of the probability distribution functions. The method followed here is to generate statistical information from time-traces of the plasma density stemming from Braginskii-type fluid simulations and check this against a first-principles theoretical model. The analysis of the numerical simulations indicates that the probability distribution function of the intermittent process contains strong exponential tails, as predicted by the analytical theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analytic Theory for the Dynamics of Wide Quantum Neural Networks

Here, parametrized quantum circuits can be used as quantum neural networks and have the potential to outperform their classical counterparts when trained for addressing learning problems. To date, much of the results on their performance on practical problems are heuristic in nature. In particular, the convergence rate for the training of quantum neural networks is not fully understood. Here, we analyze the dynamics of gradient descent for the training error of a class of variational quantum machine learning models. We define wide quantum neural networks as parametrized quantum circuits in the limit of a large number of qubits and variational parameters. Then, we find a simple analytic formula that captures the average behavior of their loss function and discuss the consequences of our findings. For example, for random quantum circuits, we predict and characterize an exponential decay of the residual training error as a function of the parameters of the system. Finally, we validate our analytic results with numerical experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Assembly, disassembly and repair of large truss structures in space

This paper addresses the problem of planning assembly, disassembly and repair sequences for large truss structures in space. First, the AND/OR graph representation scheme for mechanical assemblies is reviewed and extended to truss structures. The assembly, disassembly and repair sequence planning problem is then formulated as a graph search problem using assembly's AND/OR graph and appropriate cost functions. The general search problem, which is known to be exponential, is simplified by taking advantage of the symmetries that exist in truss structures. General cost functions for truss assembly are discussed.

Desai, Rajiv S.↗

Transcendental equations in the Schwinger-Keldysh nonequilibrium theory and nonvanishing correlations

The Schwinger-Keldysh nonequilibrium theory allows the description of various transport phenomena involving bosons (fermions) embedded in bosonic (fermionic) environments. The retarded Green’s function obeys the Dyson equation and determines via its non-vanishing asymptotic behavior the dissipationless open dynamics. The appearance of this regime is conditioned by the existence of the solution of a general class of transcendental equations in complex domain that we study. Particular cases consist in transcendental equations containing exponential, hyperbolic, power law, logarithmic, and special functions. The present analysis provides an analytical description of the thermal and temporal correlation function of two general observables of a quantum system in terms of the corresponding spectral function. Special integral properties of the spectral function guarantee non-vanishing asymptotic behavior of the correlation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Efficient lattice QCD computation of radiative-leptonic-decay form factors at multiple positive and negative photon virtualities

In previous work [D. Giusti, Methods for high-precision determinations of radiative-leptonic decay form factors using lattice QCD, Phys. Rev. D 107, 074507 (2023)], we showed that form factors for radiative leptonic decays of pseudoscalar mesons can be determined efficiently and with high precision from lattice QCD using the “three-dimensional (3D) method,” in which three-point functions are computed for all values of the current insertion time and the time integral is performed at the data-analysis stage. Here, we demonstrate another benefit of the 3D method: the form factors can be extracted for any number of nonzero photon virtualities from the same three-point functions at no extra cost. We present results for the $D_s → ℓνγ*$ vector form factor as a function of photon energy and photon virtuality, for both positive and negative virtuality, for a single ensemble with 340 MeV pion mass and 0.11 fm lattice spacing. In our analysis, we separately consider the two different time orderings and the different quark flavors in the electromagnetic current. We discuss in detail the behavior of the unwanted exponentials contributing to the three-point functions, as well as the choice of fit models and fit ranges used to remove them for various values of the virtuality. While positive photon virtuality is relevant for decays to multiple charged leptons, negative photon virtuality suppresses soft contributions and is of interest in QCD-factorization studies of the form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Spectral scheme for atomic structure calculations in density functional theory

In this study, we present a spectral scheme for atomic structure calculations in pseudopotential Kohn-Sham density functional theory. In particular, after applying an exponential transformation of the radial coordinates, we employ global polynomial interpolation on a Chebyshev grid, with derivative operators approximated using the Chebyshev differentiation matrix, and integrations using Clenshaw-Curtis quadrature. We demonstrate the accuracy and efficiency of the scheme through spin-polarized and unpolarized calculations for representative atoms, while considering local, semilocal, and hybrid exchange-correlation functionals. In particular, we find that $\mathcal{O}$(200) grid points are sufficient to achieve an accuracy of 1 microhartree in the eigenvalues for optimized norm conserving Vanderbilt pseudopotentials spanning the periodic table from atomic number Ζ = 1 to 83.

74 ATOMIC AND MOLECULAR PHYSICS↗

Searching for low-lying multi-particle thresholds in lattice spectroscopy

We explore the Euclidean-time tails of odd-parity nucleon correlation functions in a search for the S-wave pion–nucleon scattering-state threshold contribution. The analysis is performed using 2+1 flavor 32{sup 3}×64 PACS-CS gauge configurations available via the ILDG. Correlation matrices composed with various levels of fermion source/sink smearing are used to project low-lying states. The consideration of 25,600 fermion propagators reveals the presence of more than one state in what would normally be regarded as an eigenstate-projected correlation function. This observation is in accord with the scenario where the eigenstates contain a strong mixing of single and multi-particle states but only the single particle component has a strong coupling to the interpolating field. Employing a two-exponential fit to the eigenvector-projected correlation function, we are able to confirm the presence of two eigenstates. The lower-lying eigenstate is consistent with a Nπ scattering threshold and has a relatively small coupling to the three-quark interpolating field. We discuss the impact of this small scattering-state contamination in the eigenvector projected correlation function on previous results presented in the literature. -- Highlights: • Correlation-matrix projected correlators reveal more than one state contributing. • Results are associated with strong mixing of single and multi-particle states in QCD. • A two-exponential fit confirms the presence of two QCD eigenstates. •The lower-lying eigenstate is consistent with a nucleon–pion scattering threshold. •The impact of this small contamination on the higher-lying state is examined.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NMR spin-rotation relaxation and diffusion of methane

The translational diffusion-coefficient and the spin-rotation contribution to the 1 H NMR relaxation rate for methane (CH 4 ) are investigated using MD (molecular dynamics) simulations, over a wide range of densities and temperatures, spanning the liquid, supercritical, and gas phases. Here, the simulated diffusion-coefficients agree well with measurements, without any adjustable parameters in the interpretation of the simulations. A minimization technique is developed to compute the angular velocity for non-rigid spherical molecules, which is used to simulate the autocorrelation function for spin-rotation interactions. With increasing diffusivity, the autocorrelation function shows increasing deviations from the single-exponential decay predicted by the Langevin theory for rigid spheres, and the deviations are quantified using inverse Laplace transforms. The 1 H spin-rotation relaxation rate derived from the autocorrelation function using the “kinetic model” agrees well with measurements in the supercritical/gas phase, while the relaxation rate derived using the “diffusion model” agrees well with measurements in the liquid phase. 1 H spin-rotation relaxation is shown to dominate over the MD-simulated 1 H- 1 H dipole-dipole relaxation at high diffusivity, while the opposite is found at low diffusivity. At high diffusivity, the simulated spin-rotation correlation time agrees with the kinetic collision time for gases, which is used to derive a new expression for 1 H spin-rotation relaxation, without any adjustable parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systematic properties of CO emission from galaxies. I - Luminosity function

A sensitive survey of normal galaxies covering a wide range of luminosities and morphological types is combined with galaxy observations in the literature to provide a sample for statistical study. The global CO emission of these galaxies is extrapolated by modeling the galaxies with an exponential radial profile. The maximum-likelihood distribution functions of CO luminosity and CO/H I flux ratio are similar in behavior. Both have long tails of bright galaxies. However, the typical galaxy has a CO luminosity of about 10 to the 6th Jy km/s Mpc-squared or less and a CO/H I ratio of the order of 10 or less. Averages of the distributions of CO luminosity and CO/H I flux ratio are higher for galaxies of Hubble type Sb-Sbc than for groups of earlier or later types. Quantitative estimates of the possible error sources in the conversion of CO luminosity to molecular mass indicates that the peaking of CO emission at intermediate types is a fairly confident result.

Verter, Frances↗

On the maximum-entropy/autoregressive modeling of time series

The autoregressive (AR) model of a random process is interpreted in the light of the Prony's relation which relates a complex conjugate pair of poles of the AR process in the z-plane (or the z domain) on the one hand, to the complex frequency of one complex harmonic function in the time domain on the other. Thus the AR model of a time series is one that models the time series as a linear combination of complex harmonic functions, which include pure sinusoids and real exponentials as special cases. An AR model is completely determined by its z-domain pole configuration. The maximum-entropy/autogressive (ME/AR) spectrum, defined on the unit circle of the z-plane (or the frequency domain), is nothing but a convenient, but ambiguous visual representation. It is asserted that the position and shape of a spectral peak is determined by the corresponding complex frequency, and the height of the spectral peak contains little information about the complex amplitude of the complex harmonic functions.

Chao, B. F.↗

Application of the embedded atom method to Pb and Be

We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.

Karimi, M.↗

The luminosity function of quasars

We propose a new evolutionary model for the optical luminosity function of quasars. Our analytical model is derived from fits to the empirical luminosity function estimated by Hartwick and Schade and Warren, Hewett, and Osmer on the basis of more than 1200 quasars over the range of redshifts 0 approximately less than z approximately less than 4.5. We find that the evolution of quasars over this entire redshift range can be well fitted by a Gaussian distribution, while the shape of the luminosity function can be well fitted by either a double power law or an exponential L(exp 1/4) law. The predicted number counts of quasars, as a function of either apparent magnitude or redshift, are fully consistent with the observed ones. Our model indicates that the evolution of quasars reaches its maximum at z approximately = 2.8 and declines at higher redshifts. An extrapolation of the evolution to z approximately greater than 4.5 implies that quasars may have started their cosmic fireworks at z(sub f) approximately = 5.2-5.5. Forthcoming surveys of quasars at these redshifts will be critical to constrain the epoch of quasar formation. All the results we derived are based on observed quasars and are therefore subject to the bias of obscuration by dust in damped Ly alpha systems. Future surveys of these absorption systems at z approximately greater than 3 will also be important if the formation epoch of quasars is to be known unambiguously.

Pei, Yichuan C.↗

Exact Enumeration of the Phase Space of an Ising Model of Ni2MnGa

Exact evaluations of partition functions are generally prohibitively expensive due to exponential growth of phase space with the number of degrees of freedom. For an Ising model with sites the number of possible states is requiring the use of better scaling methods such as importance sampling Monte-Carlo calculations for all but the smallest systems. Yet the ability to obtain exact solutions for as large as possible systems can provide important benchmark results and opportunities for unobscured insight into the underlying physicsofthesystem.HerewepresentanIsingmodelforthemagneticsublatticesoftheimportantmagneto-caloricmaterialNi MnGa and use an exact enumeration algorithm to calculate the number of states for each energy and sublattice magne- tizations and . This allows the efficient calculation of the partition function and derived thermodynamic quantities such as specific heat and susceptibility. Utilizing the jaguarpf system at Oak Ridge we are able to calculate for systems of up to48sites,whichprovidesimportantinsightintothemechanismforthelargemagnet-caloriceffectinNi MnGaaswellasanimportant benchmark for Monte-Carlo (esp. Wang-Landau method).

Eisenbach, Markus↗

Elastic Properties of Plasma-Exposed Tungsten Predicted by Molecular-Dynamics Simulations

We report results of systematic molecular-dynamics computations of the elastic properties of single-crystalline tungsten containing structural defects, voids and overpressurized He nanobubbles, related to plasma exposure of tungsten serving as a plasma- facing component (PFC) in nuclear fusion devices. Our computations reveal that the empty voids are centers of dilatation resulting in development of tensile stress in the tungsten matrix, whereas He-filled voids (nanobubbles) introduce compressive stress in the plasma-exposed tungsten. We find that the dependence of the elastic moduli of plasma-exposed tungsten, namely, the bulk, Young, and shear modulus, on its void fraction follows a universal exponential scaling relation. We also find that the elastic moduli of plasma-exposed tungsten soften substantially as a function of He content in the tungsten matrix, following an exponential scaling relation; this He-induced exponential softening is in addition to the softening caused in the matrix with increasing temperature. A systematic characterization of the dependence of the elastic moduli on the He bubble size reveals that He bubble growth affects significantly both the bulk modulus and the Poisson ratio of plasma-exposed tungsten, while its effect on the Young and shear moduli of the plasma-exposed material is weak. Our findings contribute directly to the development of a structure-properties database that is required for the predictive modeling of the dynamical response of PFCs in nuclear fusion devices.

36 MATERIALS SCIENCE↗