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At least 1,099 records · Page 61

Landau damping and the onset of particle trapping in quantum plasmas

Using analytical theory and simulations, we assess the impact of quantum effects on non-linear wave-particle interactions in quantum plasmas. We more specifically focus on the resonant interaction between Langmuir waves and electrons, which, in classical plasmas, lead to particle trapping. Two regimes are identified depending on the difference between the time scale of oscillation t{sub B}(k)=√(m/eEk) of a trapped electron and the quantum time scale t{sub q}(k)=2m/ℏk{sup 2} related to recoil effect, where E and k are the wave amplitude and wave vector. In the classical-like regime, t{sub B}(k) < t{sub q}(k), resonant electrons are trapped in the wave troughs and greatly affect the evolution of the system long before the wave has had time to Landau damp by a large amount according to linear theory. In the quantum regime, t{sub B}(k) > t{sub q}(k), particle trapping is hampered by the finite recoil imparted to resonant electrons in their interactions with plasmons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Orthogonal Recursive Bisection (ORB) Based Time Advancement Algorithm for CFD-DEM Solvers

The time integration of the granular phase in coupled computational fluid dynamics (CFD) – discrete element method (DEM) simulations presents a unique computational challenge brought about by the large variations in particle collisional time scales. Particles in the dilute regions of the computational domain can be advanced with large time steps while dense regions require much smaller time increments. However, the time step size in most solvers is globally set as the limit for accuracy and stability imposed by the collisions and is typically orders of magnitude less than that required away from collisions. This work addresses this precise issue and provides a strategy to avoid the use of a global conservative small time step size for the entire set of particles.A novel time stepping algorithm for CFD-DEM solvers using a partitioning approach using orthogonal recursive bisection (ORB) that allows for variable time steps among particles is described and its computational performance is compared against baseline explicit methods, typically used in several CFD-DEM solvers. ORB has advantages of being relatively quick and easy to update incrementally and has the required heuristic behavior (i.e., it will split the region in half with a cluster on each side) when groups of particles are well separated (clustered). The algorithm presented in this work uses a local time stepping approach to resolve collisional time scales for subsets of particles that are present at the leaves of the ORB, thereby resulting in substantial reduction of computational cost. The parallel implementation of this method where a ``knapsack” algorithm is used in tandem with ORB for effective load-balancing is also presented, where a best possible partitioning is obtained based on number of particles and local time-stepping costs. The algorithm is tested against benchmark problems with varying particle distributions that include fluidized bed and riser flow scenarios. Preliminary results indicate that the approach is 2-3X faster than traditional explicit methods for problems that involve both dense and dilute regions, while maintaining the same level of accuracy.

adaptive timestepping↗

Better, Cheaper, Faster Molecular Dynamics

Recent, revolutionary progress in genomics and structural, molecular and cellular biology has created new opportunities for molecular-level computer simulations of biological systems by providing vast amounts of data that require interpretation. These opportunities are further enhanced by the increasing availability of massively parallel computers. For many problems, the method of choice is classical molecular dynamics (iterative solving of Newton's equations of motion). It focuses on two main objectives. One is to calculate the relative stability of different states of the system. A typical problem that has' such an objective is computer-aided drug design. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), "native" state. Perhaps the best example of such a problem is protein folding. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to "quasi non-ergodicity", whereby a part of phase space is inaccessible on time scales of the simulation. To overcome this difficulty and to extend molecular dynamics to "biological" time scales (millisecond or longer) new physical formulations and new algorithmic developments are required. To be efficient they should account for natural limitations of multi-processor computer architecture. I will present work along these lines done in my group. In particular, I will focus on a new approach to calculating the free energies (stability) of different states and to overcoming "the curse of rare events". I will also discuss algorithmic improvements to multiple time step methods and to the treatment of slowly decaying, log-ranged, electrostatic effects.

Pohorille, Andrew↗

Correcting Satellite Image Derived Surface Model for Atmospheric Effects

This project was a continuation of the project entitled "Resolution Earth Surface Features from Repeat Moderate Resolution Satellite Imagery". In the previous study, a Bayesian Maximum Posterior Estimate (BMPE) algorithm was used to obtain a composite series of repeat imagery from the Advanced Very High Resolution Radiometer (AVHRR). The spatial resolution of the resulting composite was significantly greater than the 1 km resolution of the individual AVHRR images. The BMPE algorithm utilized a simple, no-atmosphere geometrical model for the short-wave radiation budget at the Earth's surface. A necessary assumption of the algorithm is that all non geometrical parameters remain static over the compositing period. This assumption is of course violated by temporal variations in both the surface albedo and the atmospheric medium. The effect of the albedo variations is expected to be minimal since the variations are on a fairly long time scale compared to the compositing period, however, the atmospheric variability occurs on a relatively short time scale and can be expected to cause significant errors in the surface reconstruction. The current project proposed to incorporate an atmospheric correction into the BMPE algorithm for the purpose of investigating the effects of a variable atmosphere on the surface reconstructions. Once the atmospheric effects were determined, the investigation could be extended to include corrections various cloud effects, including short wave radiation through thin cirrus clouds. The original proposal was written for a three year project, funded one year at a time. The first year of the project focused on developing an understanding of atmospheric corrections and choosing an appropriate correction model. Several models were considered and the list was narrowed to the two best suited. These were the 5S and 6S shortwave radiation models developed at NASA/GODDARD and tested extensively with data from the AVHRR instrument. Although the 6S model was a successor to the 5S and slightly more advanced, the 5S was selected because outputs from the individual components comprising the short-wave radiation budget were more easily separated. The separation was necessary since both the 5S and 6S did not include geometrical corrections for terrain, a fundamental constituent of the BMPE algorithm. The 5S correction code was incorporated into the BMPE algorithm and many sensitivity studies were performed.

Emery, William↗

Fast polarization changes in mm microwave emission of weak multistructured solar bursts

Circular polarization of weak multistructured solar bursts was measured at mm microwaves with unprecedented sensitivity (0.03 sfu rms) and high time resolution (1ms). It was shown that sudden changes occur in the degree of polarization with time scales of 0.04 to 0.3 s. In most cases the degree of polarization attained maximum values before the maximum flux in both mm microwaves and hard X-rays with time scales of 0.04 to 1.0 s. The timing accuracy in determining the degree of polarization was 40 ms. Physical phenomena are discussed invoking one or a combination of various possible causes for the observed effects. The bursts at mm microwaves were weak compared to the contribution of the preexisting active regions, and therefore the changes in magnetoionic propagation conditions for emerging radiation plays an important role in the observed effects. Composite effects due to more than one polarizing mechanism or more than one polarized spots within the antenna beam are discussed.

Kaufmann, P.↗

Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks

Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.

97 MATHEMATICS AND COMPUTING↗

South African droughts and decadal variability

We explore the historical occurrence of extensive droughts over South Africa within the context of decadal climate variability. A Standardized Precipitation Index dataset is developed and used to assess the spatial extent of droughts in South Africa for the period 1920–2014. The most extensive droughts over the period at various time scales are identified and discussed. Results of a wavelet analysis are also presented towards identifying statistically significant regional climate variation with which the occurrence of droughts is associated. The occurrence of drought with respect to the El Niño Southern Oscillation and decadal climate variability is also considered. Significant associations between short-term droughts and decadal variability are pointed out. An overview of global sea surface temperature and Southern Hemisphere sea-level pressure associations with three prominent scales of multi-year climate variability is given. Dry epochs at the most prominent time scales are shown to be significantly negatively related to the Southern Annular Mode and associated sea surface temperature anomalies in the mid-to-high southern latitudes. Relations with the Pacific Decadal Oscillation, Inter-Decadal Pacific Oscillation and ENSO, which are all associated with a Southern Annular Mode of opposite sign, are also highlighted.

Geology↗

New Perspectives on Vibrational Energy Transfer in Energetic Materials: Insights from Pressure-Tuned Ultrafast Spectroscopy

Understanding the manner in which vibrational energy flows between molecular and lattice vibrations is of great interest in physical chemistry due to its central role in reactivity and energy dissipation in molecular materials. Here, in this feature article, we highlight our recent efforts employing ultrafast broadband infrared spectroscopy toward understanding the interplay between molecular and lattice vibrations in energetic materials, motivated by the open questions surrounding the role of vibrational energy transfer (VET) in reaction initiation in these materials. Our work addresses the ongoing debate on the participation of doorway modes in VET. We further present new results from high-pressure ultrafast experiments on RDX, a hydrogen-bonded material, and BNFF, a hydrogen-free material, to explore how intermolecular interaction strength governs VET pathways and time scales. Collectively, our findings reveal that vibrational dynamics in these systems occurs across three distinct time regimes, with VET being incomplete out to hundreds of picoseconds, suggesting the importance of considering nonstatistical reactions in the modeling of these materials. These time scales vary as intermolecular interaction strength is indirectly modified by application of static pressure, indicating dramatic changes to the vibrational structure of these materials under shock-relevant conditions. Our results thus shed light on how intermolecular interactions shape vibrational energy redistribution in molecular materials, and highlight the need for further theoretical and experimental investigation.

Carlson, Daniel Ryan [Sandia National Laboratories↗

Magnetic field dependence of nonlinear magnetic response and tricritical point in the monoaxial chiral helimagnet Cr 1 / 3 Nb S 2

We present a comprehensive study of the magnetization dynamics and phase evolution in the chiral helimagnet Cr 1/3 NbS 2 , which realizes a chiral soliton lattice (CSL). The magnetic field dependence of the ac magnetic response is analyzed for the first five harmonic components, M nω (H ) (n = 1–5), using a phase sensitive measurement over a frequency range, f = 11–10 000 Hz. At a critical field, the modulated CSL continuously evolves from a helicity-rich to a ferromagnetic domain-rich structure, where the crossover is revealed by the onset of an anomalous nonlinear magnetic response that coincides with extremely slow dynamics. The behavior is indicative of the formation of a spatially coherent array of large ferromagnetic domains, which relax on macroscopic time scales. The frequency dependence of the ac magnetic loss displays an asymmetric distribution of relaxation times across the highly nonlinear CSL regime, which shift to shorter time scales with increasing temperature. We experimentally resolve the tricritical point at T TCP in a temperature regime above the ferromagnetic Curie temperature which separates the linear and nonlinear magnetic regimes of the CSL at the phase transition. A comprehensive phase diagram is constructed which summarizes the features of the field and temperature dependence of the magnetic crossovers and phase transitions in Cr 1/3 NbS 2 .

36 MATERIALS SCIENCE↗

Numerical methods for large-scale, time-dependent partial differential equations

A survey of numerical methods for time dependent partial differential equations is presented. The emphasis is on practical applications to large scale problems. A discussion of new developments in high order methods and moving grids is given. The importance of boundary conditions is stressed for both internal and external flows. A description of implicit methods is presented including generalizations to multidimensions. Shocks, aerodynamics, meteorology, plasma physics and combustion applications are also briefly described.

Turkel, E.↗

Basic properties and variability

Giant and supergiant M, S, and C stars are discussed in this survey of research. Basic properties as determined by spectra, chemical composition, photometry, or variability type are discussed. Space motions and space distributions of cool giants are described. Distribution of these stars in our galaxy and those nearby is discussed. Mira variables in particular are surveyed with emphasis on the following topics: (1) phase lag phenomenon; (2) Mira light curves; (3) variations in color indices; (4) determination of multiple periods; (5) correlations between quantities such as period length, light-curve shape, infrared (IR) excess, and visible and IR color diagram; (6) semiregular (SR) variables and different time scales in SR light variations; (7) irregular variable Lb and Lc stars; (8) different time-scale light variations; (9) hydrogen-deficient carbon (HdC) stars, in particular RCB stars; and (10) irreversible changes and rapid evolution in red variable stars.

Querci, Francois R.↗

Recurrent episodic mass loss in a B2e star - 66 Ophiuchi, 1982-1985

The results of three intensive ultraviolet monitoring campaigns for 66 Oph in September-October 1982, September 1983, and September 1984, supplemented by the available IUE archival data from April, 1982 to June, 1985 are reported. The stellar wind went through at least two and probably three episodes of weak-wind absorption. At wind minimum, the resonance profiles and equivalent widths of C IV, Si IV, Si III, and Al III are similar to those observed in normal B stars of comparable luminosity, effective temperature, and v sin i. The strong-wind absorption profiles show one or more shortward-shifted discrete components superposed upon the weak-wind absorption profiles. Significant profile variations are seen on time scales spanning over two orders of magnitude, ranging from small-amplitude changes detected on time scales of hours to the transitions from wind minimum to maximum, which take months.

Grady, C. A.↗

Overview of Proposal on High Resolution Climate Model Simulations of Recent Hurricane and Typhoon Activity: The Impact of SSTs and the Madden Julian Oscillation

This talk gives an update on the progress and further plans for a coordinated project to carry out and analyze high-resolution simulations of tropical storm activity with a number of state-of-the-art global climate models. Issues addressed include, the mechanisms by which SSTs control tropical storm. activity on inter-annual and longer time scales, the modulation of that activity by the Madden Julian Oscillation on sub-seasonal time scales, as well as the sensitivity of the results to model formulation. The project also encourages companion coarser resolution runs to help assess resolution dependence, and. the ability of the models to capture the large-scale and long-terra changes in the parameters important for hurricane development. Addressing the above science questions is critical to understanding the nature of the variability of the Asian-Australian monsoon and its regional impacts, and thus CLIVAR RAMP fully endorses the proposed tropical storm simulation activity. The project is open to all interested organizations and investigators, and the results from the runs will be shared among the participants, as well as made available to the broader scientific community for analysis.

Schubert, Siegfried↗

Nonlinear physics of shear Alfvén waves

Shear Alfvén waves (SAW) play fundamental roles in thermonuclear plasmas of fusion interest, since they are readily excited by energetic particles in the MeV range as well as by the thermal plasma components. Thus, understanding fluctuation induced transport in burning plasmas requires understanding nonlinear SAW physics. There exist two possible routes to nonlinear SAW physics: (i) wave-wave interactions and the resultant spectral energy transfer; (ii) nonlinear wave-particle interactions of SAW instabilities with energetic particles. Within the first route, it is advantageous to understand and describe nonlinear processes in term of proximity of the system to the Alfvénic state, where wave-wave interactions are minimized due to the cancellation of Reynolds and Maxwell stresses. Here, various wave-wave nonlinear dynamics are elucidated in terms of how they break the Alfvénic state. In particular, we discuss the qualitative and quantitative modification of the SAW parametric decay process due to finite ion compressibility and finite ion Larmor radius. We also show that toroidal geometry plays a crucial role in the nonlinear excitation of zonal structures by Alfvén eigenmodes. Within the second route, the coherent nonlinear dynamics of structures in the energetic particle phase space, by which secular resonant particle transport can occur on meso- and macro-scales, must be addressed and understood. These 'nonlinear equilibria' or 'phase-space zonal structures' dynamically evolve on characteristic (fluctuation induced) turbulent transport time scales, which are generally of the same order of the nonlinear time scale of the underlying fluctuations. In this work, we introduce the general structure of nonlinear Schrödinger equations with complex integro-differential nonlinear terms, which govern these physical processes. To elucidate all these aspects, theoretical analyses are presented together with numerical simulation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Chaotic Long-Term X-Ray Variability of 4U 1705-44

The low-mass X-ray binary 4U1705-44 exhibits dramatic long-term X-ray time variability with a time-scale of several hundred days. The All-SkyMonitor (ASM) aboard the Rossi X-ray Timing Explorer (RXTE) and the Japanese Monitor of All-sky X-ray Image (MAXI) aboard the International Space Station together have continuously observed the source from 1995 December through 2014 May. The combined ASM-MAXI data provide a continuous time series over 50 times the length of the time-scale of interest. Topological analysis can help us identify 'fingerprints' in the phase space of a system unique to its equations of motion. The Birman-Williams theorem postulates that if such fingerprints are the same between two systems, then their equations of motion must be closely related. The phase-space embedding of the source light curve shows a strong resemblance to the double-welled non-linear Duffing oscillator. We explore a range of parameters for which the Duffing oscillator closely mirrors the time evolution of 4U1705-44. We extract low period, unstable periodic orbits from the 4U1705-44 and Duffing time series and compare their topological information. The Duffing and 4U1705-44 topological properties are identical, providing strong evidence that they share the same underlying template. This suggests that we can look to the Duffing equation to help guide the development of a physical model to describe the long-term X-ray variability of this and other similarly behaved X-ray binary systems.

Rossi X-ray Timing Explorer (RXTE)↗

Statistics of particle time-temperature histories: Progress report for August 2012

Progress toward predictions of the statistics of particle time-temperature histories is presented. The joint statistics of a scalar like the temperature and an exposure time scale are of interest. We have related these quantities to statistics of conserved scalars, their gradients and their diffusive time scales. Future work will apply the one-dimensional turbulence (ODT) model to evaluate the suitability of these statistics to predicting particle time-temperature histories. To that end, we have reported on past performance of the ODT model and have implemented a Lagrangian particle tracking capability into the ODT code. The results of ODT-driven particle dispersion have been compared with classical experimental data, and preliminary statistics of particle evolution in reacting flows are also reported.

Hewson, John C.↗

Reconstructing the Solar VUV Irradiance Over the Past 60 Years

Actual observations of the solar spectral irradiance are extremely limited on climate time scales; therefore, various empirical models use solar proxies to reconstruct the actual output of the Sun over long time scales. The Flare Irradiance Spectral Model (FISM) is an empirical model of the solar irradiance spectrum from 0.1 to 190 nm at 1 nm spectral resolution and on a I-minute time cadence. The goal of FISM is to provide accurate solar spectral irradiances over the vacuum ultraviolet (VUV: 0-200 nm) range as input for ionospheric and thermospheric. A brief overview of the proxies used in the FISM model will be given, and also discussed is how the Solar Dynamics Observatory (SDO) EUV Variability Experiment (EVE) will contribute to improving FISM estimates and its accuracies. Also presented will be a discussion of other solar irradiance proxies and measurements, and their associated uncertainties, used for solar spectral reconstructions.

Chamberlin, Phillip C.↗

Complete information acquisition in scanning probe microscopy

In the last three decades, scanning probe microscopy (SPM) has emerged as a primary tool for exploring and controlling the nanoworld. A critical part of the SPM measurements is the information transfer from the tip-surface junction to a macroscopic measurement system. This process reduces the many degrees of freedom of a vibrating cantilever to relatively few parameters recorded as images. Similarly, the details of dynamic cantilever response at sub-microsecond time scales of transients, higher-order eigenmodes and harmonics are averaged out by transitioning to millisecond time scale of pixel acquisition. Hence, the amount of information available to the external observer is severely limited, and its selection is biased by the chosen data processing method. Here, we report a fundamentally new approach for SPM imaging based on information theory-type analysis of the data stream from the detector. This approach allows full exploration of complex tip-surface interactions, spatial mapping of multidimensional variability of material s properties and their mutual interactions, and SPM imaging at the information channel capacity limit.

77 NANOSCIENCE AND NANOTECHNOLOGY↗