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At least 415 records · Page 23

Nonlinear dynamics of the ion Weibel-filamentation instability: An analytical model for the evolution of the plasma and spectral properties

We present a predictive model of the nonlinear phase of the Weibel instability induced by two symmetric, counter-streaming ion beams in the non-relativistic regime. This self-consistent model combines the quasilinear kinetic theory of Davidson et al. [Phys. Fluids 15, 317 (1972)] with a simple description of current filament coalescence. It allows us to follow the evolution of the ion parameters up to a stage close to complete isotropization, and is thus of prime interest to understand the dynamics of collisionless shock formation. Its predictions are supported by 2-D and 3-D particle-in-cell simulations of the ion Weibel instability. The derived approximate analytical solutions reveal the various dependencies of the ion relaxation to isotropy. In particular, it is found that the influence of the electron screening can affect the results of simulations using an unphysical electron mass.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics

It is noted that the recently developed symmetrical quasi-classical (SQC) treatment of the Meyer-Miller (MM) model for the simulation of electronically non-adiabatic dynamics provides a good description of detailed balance, even though the dynamics which results from the classical MM Hamiltonian is “Ehrenfest dynamics” (i.e., the force on the nuclei is an instantaneous coherent average over all electronic states). This is seen to be a consequence of the SQC windowing methodology for “processing” the results of the trajectory calculation. For a particularly simple model discussed here, this is shown to be true regardless of the choice of windowing function employed in the SQC model, and for a more realistic full classical molecular dynamics simulation, it is seen to be maintained correctly for very long time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimizing the emission, propagation, and focusing of an intense electron beam

Intense electron beams can be used to study the dynamical response of materials under shocks in order to adjust the models developed for hydrodynamics simulations. We present in this paper a characterization of beams produced in a field emission diode coupled to the generator RKA at CEA/CESTA. Cherenkov emission, produced by the beam interacting in a fused silica disk, was observed by fast optical cameras to estimate beam homogeneity. GEANT4 simulations were performed to estimate the transfer function of the silica target and to optimize the anode foil. First, we chose the best cathode material available among the most common materials used in field emission systems. In addition, we found that by optimization of the anode thickness, we could improve the spatial homogeneity of the beam which is of prime importance for computing the interaction of the beam with materials. Next, we changed the beam fluence by increasing the beam current and by reducing the beam radius. Finally, we studied the propagation and focusing of the electron beam in low pressure gases and observed that we could use self-magnetic field focusing in order to increase beam fluence at the target location. The experimental results are in good agreement with PIC simulations.

43 PARTICLE ACCELERATORS↗

Simulation and quasilinear theory of aperiodic ordinary mode instability

The purely growing ordinary (O) mode instability driven by excessive parallel temperature anisotropy for high-beta plasmas was first discovered in the 1970s. This instability receives renewed attention because it may be applicable to the solar wind plasma. The electrons in the solar wind feature temperature anisotropies whose upper values are apparently limited by plasma instabilities. The O-mode instability may be important in this regard. Previous studies of O mode instability have been based on linear theory, but the actual solar wind electrons may be in saturated state. The present paper investigates the nonlinear saturation behavior of the O mode instability by means of one-dimensional particle-in-cell simulation and quasilinear theory. It is shown that the quasilinear method accurately reproduces the simulation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Communication: Probing anomalous diffusion in frequency space

Anomalous diffusion processes are usually detected by analyzing the time-dependent mean square displacement of the diffusing particles. The latter evolves asymptotically as W(t) ∼ 2D{sub α}t{sup α}, where D{sub α} is the fractional diffusion constant and 0 < α < 2. In this article we show that both D{sub α} and α can also be extracted from the low-frequency Fourier spectrum of the corresponding velocity autocorrelation function. This offers a simple method for the interpretation of quasielastic neutron scattering spectra from complex (bio)molecular systems, in which subdiffusive transport is frequently encountered. The approach is illustrated and validated by analyzing molecular dynamics simulations of molecular diffusion in a lipid POPC bilayer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Overview: Understanding nucleation phenomena from simulations of lattice gas models

Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of the use of the LCR circuit model for evaluating the resonant response of thin rectangular nanoantennas

We demonstrate the possibility of estimating in a simple way the expected frequency of the resonant response to an external electromagnetic field in a thin golden nanoantenna having a rectangular cross section. The paper considers nanoantennas with a thickness smaller than the thickness of the skin layer or comparable with it. Analytical expressions for estimating the resonance response are presented, and full-wave simulation is performed. The algorithm for obtaining such estimates is important, in particular, for planning experiments without using full-wave simulation, which is often rather resource consuming. To obtain analytical expressions, a refined LCR circuit model is used. The analytical estimates obtained for the characteristics of the resonant response are in good agreement with the results of the full-wave simulation. (nanoantennas)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

GIANT MOLECULAR CLOUD FORMATION IN DISK GALAXIES: CHARACTERIZING SIMULATED VERSUS OBSERVED CLOUD CATALOGS

We present the results of a study of simulated giant molecular clouds (GMCs) formed in a Milky Way-type galactic disk with a flat rotation curve. This simulation, which does not include star formation or feedback, produces clouds with masses ranging between 10{sup 4} M{sub ☉} and 10{sup 7} M{sub ☉}. We compare our simulated cloud population to two observational surveys: the Boston University-Five College Radio Astronomy Observatory Galactic Ring Survey and the BIMA All-Disk Survey of M33. An analysis of the global cloud properties as well as a comparison of Larson's scaling relations is carried out. We find that simulated cloud properties agree well with the observed cloud properties, with the closest agreement occurring between the clouds at comparable resolution in M33. Our clouds are highly filamentary—a property that derives both from their formation due to gravitational instability in the sheared galactic environment, as well as to cloud-cloud gravitational encounters. We also find that the rate at which potentially star-forming gas accumulates within dense regions—wherein n{sub thresh} ≥ 10{sup 4} cm{sup –3}—is 3% per 10 Myr, in clouds of roughly 10{sup 6} M{sub ☉}. This suggests that star formation rates in observed clouds are related to the rates at which gas can be accumulated into dense subregions within GMCs via filamentary flows. The most internally well-resolved clouds are chosen for listing in a catalog of simulated GMCs—the first of its kind. The cataloged clouds are available as an extracted data set from the global simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

RELATIONS BETWEEN CENTRAL BLACK HOLE MASS AND TOTAL GALAXY STELLAR MASS IN THE LOCAL UNIVERSE

Scaling relations between central black hole (BH) mass and host galaxy properties are of fundamental importance to studies of BH and galaxy evolution throughout cosmic time. Here we investigate the relationship between BH mass and host galaxy total stellar mass using a sample of 262 broad-line active galactic nuclei (AGNs) in the nearby universe (z < 0.055), as well as 79 galaxies with dynamical BH masses. The vast majority of our AGN sample is constructed using Sloan Digital Sky Survey spectroscopy and searching for Seyfert-like narrow-line ratios and broad Hα emission. BH masses are estimated using standard virial techniques. We also include a small number of dwarf galaxies with total stellar masses M{sub stellar} ≲ 10{sup 9.5} M{sub ⊙} and a subsample of the reverberation-mapped AGNs. Total stellar masses of all 341 galaxies are calculated in the most consistent manner feasible using color-dependent mass-to-light ratios. We find a clear correlation between BH mass and total stellar mass for the AGN host galaxies, with M{sub BH} ∝ M{sub stellar}, similar to that of early-type galaxies with dynamically detected BHs. However, the relation defined by the AGNs has a normalization that is lower by more than an order of magnitude, with a BH-to-total stellar mass fraction of M{sub BH}/M{sub stellar} ∼ 0.025% across the stellar mass range 10{sup 8} ≤ M{sub stellar}/M{sub ⊙} ≤ 10{sup 12}. This result has significant implications for studies at high redshift and cosmological simulations in which stellar bulges cannot be resolved.

79 ASTRONOMY AND ASTROPHYSICS↗

TH-E-18A-01: Developments in Monte Carlo Methods for Medical Imaging

Monte Carlo simulation methods are widely used in medical physics research and are starting to be implemented in clinical applications such as radiation therapy planning systems. Monte Carlo simulations offer the capability to accurately estimate quantities of interest that are challenging to measure experimentally while taking into account the realistic anatomy of an individual patient. Traditionally, practical application of Monte Carlo simulation codes in diagnostic imaging was limited by the need for large computational resources or long execution times. However, recent advancements in high-performance computing hardware, combined with a new generation of Monte Carlo simulation algorithms and novel postprocessing methods, are allowing for the computation of relevant imaging parameters of interest such as patient organ doses and scatter-to-primaryratios in radiographic projections in just a few seconds using affordable computational resources. Programmable Graphics Processing Units (GPUs), for example, provide a convenient, affordable platform for parallelized Monte Carlo executions that yield simulation times on the order of 10{sup 7} xray/ s. Even with GPU acceleration, however, Monte Carlo simulation times can be prohibitive for routine clinical practice. To reduce simulation times further, variance reduction techniques can be used to alter the probabilistic models underlying the x-ray tracking process, resulting in lower variance in the results without biasing the estimates. Other complementary strategies for further reductions in computation time are denoising of the Monte Carlo estimates and estimating (scoring) the quantity of interest at a sparse set of sampling locations (e.g. at a small number of detector pixels in a scatter simulation) followed by interpolation. Beyond reduction of the computational resources required for performing Monte Carlo simulations in medical imaging, the use of accurate representations of patient anatomy is crucial to the virtual generation of medical images and accurate estimation of radiation dose and other imaging parameters. For this, detailed computational phantoms of the patient anatomy must be utilized and implemented within the radiation transport code. Computational phantoms presently come in one of three format types, and in one of four morphometric categories. Format types include stylized (mathematical equation-based), voxel (segmented CT/MR images), and hybrid (NURBS and polygon mesh surfaces). Morphometric categories include reference (small library of phantoms by age at 50th height/weight percentile), patient-dependent (larger library of phantoms at various combinations of height/weight percentiles), patient-sculpted (phantoms altered to match the patient's unique outer body contour), and finally, patient-specific (an exact representation of the patient with respect to both body contour and internal anatomy). The existence and availability of these phantoms represents a very important advance for the simulation of realistic medical imaging applications using Monte Carlo methods. New Monte Carlo simulation codes need to be thoroughly validated before they can be used to perform novel research. Ideally, the validation process would involve comparison of results with those of an experimental measurement, but accurate replication of experimental conditions can be very challenging. It is very common to validate new Monte Carlo simulations by replicating previously published simulation results of similar experiments. This process, however, is commonly problematic due to the lack of sufficient information in the published reports of previous work so as to be able to replicate the simulation in detail. To aid in this process, the AAPM Task Group 195 prepared a report in which six different imaging research experiments commonly performed using Monte Carlo simulations are described and their results provided. The simulation conditions of all six cases are provided in full detail, with all necessary data on material composition, source, geometry, scoring and other parameters provided. The results of these simulations when performed with the four most common publicly available Monte Carlo packages are also provided in tabular form. The Task Group 195 Report will be useful for researchers needing to validate their Monte Carlo work, and for trainees needing to learn Monte Carlo simulation methods. In this symposium we will review the recent advancements in highperformance computing hardware enabling the reduction in computational resources needed for Monte Carlo simulations in medical imaging. We will review variance reduction techniques commonly applied in Monte Carlo simulations of medical imaging systems and present implementation strategies for efficient combination of these techniques with GPU acceleration. Trade-offs involved in Monte Carlo acceleration by means of denoising and “sparse sampling” will be discussed. A method for rapid scatter correction in cone-beam CT (<5 min/scan) will be presented as an illustration of the simulation speeds achievable with optimized Monte Carlo simulations. We will also discuss the development, availability, and capability of the various combinations of computational phantoms for Monte Carlo simulation of medical imaging systems. Finally, we will review some examples of experimental validation of Monte Carlo simulations and will present the AAPM Task Group 195 Report. Learning Objectives: Describe the advances in hardware available for performing Monte Carlo simulations in high performance computing environments. Explain variance reduction, denoising and sparse sampling techniques available for reduction of computational time needed for Monte Carlo simulations of medical imaging. List and compare the computational anthropomorphic phantoms currently available for more accurate assessment of medical imaging parameters in Monte Carlo simulations. Describe experimental methods used for validation of Monte Carlo simulations in medical imaging. Describe the AAPM Task Group 195 Report and its use for validation and teaching of Monte Carlo simulations in medical imaging.

60 APPLIED LIFE SCIENCES↗

A new simulation model for inhomogeneous Au/n-GaN structure

The larger the device area, the more difficult to carry on homogeneity during the fabrication and following treatments. Structural inhomogeneity may indicate themselves in variations in local electronic device parameters. Electrical current through the potential barriers is exponentially sensitive to the local device parameters and its fluctuations in the Schottky devices. A new simulation program is developed to describe a relation between multiple, random barrier heights and current-voltage characteristics of the Schottky device. We model the barrier height inhomogeneity in terms of random microcells connected in parallel, which have different barrier height values. Analyzing the integral of the simulated light current-voltage curves show that fluctuations of the local barrier height result in a degradation of the open circuit voltage, fill factor and in consequence, of the over all power conversation efficiency. The implementation described here is quite general and can be used to simulate any device parameter fluctuations in the Schottky devices.

36 MATERIALS SCIENCE↗

Computational Design of Advanced Nuclear Fuels

The objective of the project was to develop a method for theoretical understanding of nuclear fuel materials whose physical and thermophysical properties can be predicted from first principles using a novel dynamical mean field method for electronic structure calculations. We concentrated our study on uranium, plutonium, their oxides, nitrides, carbides, as well as some rare earth materials whose 4f eletrons provide a simplified framework for understanding complex behavior of the f electrons. We addressed the issues connected to the electronic structure, lattice instabilities, phonon and magnon dynamics as well as thermal conductivity. This allowed us to evaluate characteristics of advanced nuclear fuel systems using computer based simulations and avoid costly experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Using Supercomputers to Probe the Early Universe

For decades physicists have been trying to decipher the first moments after the Big Bang. Using very large telescopes, for example, scientists scan the skies and look at how fast galaxies move. Satellites study the relic radiation left from the Big Bang, called the cosmic microwave background radiation. And finally, particle colliders, like the Large Hadron Collider at CERN, allow researchers to smash protons together and analyze the debris left behind by such collisions. Physicists at Los Alamos National Laboratory, however, are taking a different approach: they are using computers. In collaboration with colleagues at University of California San Diego, the Los Alamos researchers developed a computer code, called BURST, that can simulate conditions during the first few minutes of cosmological evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Sources of Emittance in RF Photocathode Injectors

Advances in electron beam technology have been central to creating the current generation of x-ray free electron lasers and ultra-fast electron microscopes. These once exotic devices have become essential tools for basic research and applied science. One important beam technology for both is the electron source which, for many of these instruments, is the photocathode RF gun. The invention of the photocathode gun and the concepts of emittance compensation and beam matching in the presence of space charge and RF forces have made these high-quality beams possible. Achieving even brighter beams requires a taking a finer resolution view of the electron dynamics near the cathode during photoemission and the initial acceleration of the beam. In addition, the high brightness beam is more sensitive to degradation by the optical aberrations of the gun’s RF and magnetic lenses. This paper discusses these topics including the beam properties due to fundamental photoemission physics, space charge effects close to the cathode, and optical distortions introduced by the RF and solenoid fields. Analytic relations for these phenomena are derived and compared with numerical simulations.

43 PARTICLE ACCELERATORS↗

Superhigh-Speed Electric Motor with Unipolar Magnetic Bearing

New unipolar magnetic bearings of high-speed and superhigh-speed electric motors for different branches of industry are described. A new design is proposed and investigated by computer simulation. On the basis of the results, a mockup is created, and the computer models are verified.

42 ENGINEERING↗

SMR Re-Scaling and Modeling for Load Following Studies

This study investigates the creation of a new set of scaling parameters for the Oregon State University Multi-Application Small Light Water Reactor (MASLWR) scaled thermal hydraulic test facility which modeled the NuScale power SMR design. As part of a study being undertaken by Idaho National Lab involving nuclear reactor load following characteristics, full power operations need to be simulated, and therefore properly scaled. Presented here is the scaling analysis and plans for RELAP5-3D simulation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

History-Dependent Problems with Applications to Contact Models for Elastic Beams

We prove an existence and uniqueness result for a class of subdifferential inclusions which involve a history-dependent operator. Then we specialize this result in the study of a class of history-dependent hemivariational inequalities. Problems of such kind arise in a large number of mathematical models which describe quasistatic processes of contact. To provide an example we consider an elastic beam in contact with a reactive obstacle. The contact is modeled with a new and nonstandard condition which involves both the subdifferential of a nonconvex and nonsmooth function and a Volterra-type integral term. We derive a variational formulation of the problem which is in the form of a history-dependent hemivariational inequality for the displacement field. Then, we use our abstract result to prove its unique weak solvability. Finally, we consider a numerical approximation of the model, solve effectively the approximate problems and provide numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation of the Performance of Flow Models for TWIP Steel

Modeling of metal processing requires constitutive laws able to represent the experimental material behavior. Of the large number of available empirical constitutive equations, only a subset may be fitted accurately to given experimental data. The present work is aimed at identifying the equations that can be used to model the ambient temperature mechanical behavior of high Mn twinning-induced plasticity (TWIP) steels. These are fitted to experimental data for TWIP900 and further compared in terms of their ability to predict springback. The reference springback value is determined experimentally for the same material. The study provides guidelines for the selection of the constitutive model in forming simulations for this type of steel.

36 MATERIALS SCIENCE↗