Development of fine-resolution analyses and expanded large-scale forcing properties. Part II: Scale-awareness and application to single-column model experiments

DOE PAGES

Feng, Sha; Vogelmann, Andrew M.; Li, Zhijin; ...

2015-01-20

Fine-resolution three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy’s Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multi-scale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scalesmore » larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 (CAM5) is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.« less

IS THE SMALL-SCALE MAGNETIC FIELD CORRELATED WITH THE DYNAMO CYCLE?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karak, Bidya Binay; Brandenburg, Axel, E-mail: bbkarak@nordita.org

2016-01-01

The small-scale magnetic field is ubiquitous at the solar surface—even at high latitudes. From observations we know that this field is uncorrelated (or perhaps even weakly anticorrelated) with the global sunspot cycle. Our aim is to explore the origin, and particularly the cycle dependence, of such a phenomenon using three-dimensional dynamo simulations. We adopt a simple model of a turbulent dynamo in a shearing box driven by helically forced turbulence. Depending on the dynamo parameters, large-scale (global) and small-scale (local) dynamos can be excited independently in this model. Based on simulations in different parameter regimes, we find that, when onlymore » the large-scale dynamo is operating in the system, the small-scale magnetic field generated through shredding and tangling of the large-scale magnetic field is positively correlated with the global magnetic cycle. However, when both dynamos are operating, the small-scale field is produced from both the small-scale dynamo and the tangling of the large-scale field. In this situation, when the large-scale field is weaker than the equipartition value of the turbulence, the small-scale field is almost uncorrelated with the large-scale magnetic cycle. On the other hand, when the large-scale field is stronger than the equipartition value, we observe an anticorrelation between the small-scale field and the large-scale magnetic cycle. This anticorrelation can be interpreted as a suppression of the small-scale dynamo. Based on our studies we conclude that the observed small-scale magnetic field in the Sun is generated by the combined mechanisms of a small-scale dynamo and tangling of the large-scale field.« less

SCALE-UP OF RAPID SMALL-SCALE ADSORPTION TESTS TO FIELD-SCALE ADSORBERS: THEORETICAL AND EXPERIMENTAL BASIS

EPA Science Inventory

Design of full-scale adsorption systems typically includes expensive and time-consuming pilot studies to simulate full-scale adsorber performance. Accordingly, the rapid small-scale column test (RSSCT) was developed and evaluated experimentally. The RSSCT can simulate months of f...

Laminar and Turbulent Dynamos in Chiral Magnetohydrodynamics. II. Simulations

NASA Astrophysics Data System (ADS)

Schober, Jennifer; Rogachevskii, Igor; Brandenburg, Axel; Boyarsky, Alexey; Fröhlich, Jürg; Ruchayskiy, Oleg; Kleeorin, Nathan

2018-05-01

Using direct numerical simulations (DNS), we study laminar and turbulent dynamos in chiral magnetohydrodynamics with an extended set of equations that accounts for an additional contribution to the electric current due to the chiral magnetic effect (CME). This quantum phenomenon originates from an asymmetry between left- and right-handed relativistic fermions in the presence of a magnetic field and gives rise to a chiral dynamo. We show that the magnetic field evolution proceeds in three stages: (1) a small-scale chiral dynamo instability, (2) production of chiral magnetically driven turbulence and excitation of a large-scale dynamo instability due to a new chiral effect (α μ effect), and (3) saturation of magnetic helicity and magnetic field growth controlled by a conservation law for the total chirality. The α μ effect becomes dominant at large fluid and magnetic Reynolds numbers and is not related to kinetic helicity. The growth rate of the large-scale magnetic field and its characteristic scale measured in the numerical simulations agree well with theoretical predictions based on mean-field theory. The previously discussed two-stage chiral magnetic scenario did not include stage (2), during which the characteristic scale of magnetic field variations can increase by many orders of magnitude. Based on the findings from numerical simulations, the relevance of the CME and the chiral effects revealed in the relativistic plasma of the early universe and of proto-neutron stars are discussed.

Signatures Of Coronal Heating Driven By Footpoint Shuffling: Closed and Open Structures.

NASA Astrophysics Data System (ADS)

Velli, M. C. M.; Rappazzo, A. F.; Dahlburg, R. B.; Einaudi, G.; Ugarte-Urra, I.

2017-12-01

We have previously described the characteristic state of the confined coronal magnetic field as a special case of magnetically dominated magnetohydrodynamic (MHD) turbulence, where the free energy in the transverse magnetic field is continuously cascaded to small scales, even though the overall kinetic energy is small. This coronal turbulence problem is defined by the photospheric boundary conditions: here we discuss recent numerical simulations of the fully compressible 3D MHD equations using the HYPERION code. Loops are forced at their footpoints by random photospheric motions, energizing the field to a state with continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scales that, in the solar corona, remain observationally unresolved: the plasma of simulated loops is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. We will also compare Reduced MHD simulations with fully compressible simulations and photospheric forcings with different time-scales compared to the Alfv'en transit time. Finally, we will discuss the differences between the closed field and open field (solar wind) turbulence heating problem, leading to observational consequences that may be amenable to Parker Solar Probe and Solar Orbiter.

Development of a parallel FE simulator for modeling the whole trans-scale failure process of rock from meso- to engineering-scale

NASA Astrophysics Data System (ADS)

Li, Gen; Tang, Chun-An; Liang, Zheng-Zhao

2017-01-01

Multi-scale high-resolution modeling of rock failure process is a powerful means in modern rock mechanics studies to reveal the complex failure mechanism and to evaluate engineering risks. However, multi-scale continuous modeling of rock, from deformation, damage to failure, has raised high requirements on the design, implementation scheme and computation capacity of the numerical software system. This study is aimed at developing the parallel finite element procedure, a parallel rock failure process analysis (RFPA) simulator that is capable of modeling the whole trans-scale failure process of rock. Based on the statistical meso-damage mechanical method, the RFPA simulator is able to construct heterogeneous rock models with multiple mechanical properties, deal with and represent the trans-scale propagation of cracks, in which the stress and strain fields are solved for the damage evolution analysis of representative volume element by the parallel finite element method (FEM) solver. This paper describes the theoretical basis of the approach and provides the details of the parallel implementation on a Windows - Linux interactive platform. A numerical model is built to test the parallel performance of FEM solver. Numerical simulations are then carried out on a laboratory-scale uniaxial compression test, and field-scale net fracture spacing and engineering-scale rock slope examples, respectively. The simulation results indicate that relatively high speedup and computation efficiency can be achieved by the parallel FEM solver with a reasonable boot process. In laboratory-scale simulation, the well-known physical phenomena, such as the macroscopic fracture pattern and stress-strain responses, can be reproduced. In field-scale simulation, the formation process of net fracture spacing from initiation, propagation to saturation can be revealed completely. In engineering-scale simulation, the whole progressive failure process of the rock slope can be well modeled. It is shown that the parallel FE simulator developed in this study is an efficient tool for modeling the whole trans-scale failure process of rock from meso- to engineering-scale.

Scaling and pedotransfer in numerical simulations of flow and transport in soils

USDA-ARS?s Scientific Manuscript database

Flow and transport parameters of soils in numerical simulations need to be defined at the support scale of computational grid cells. Such support scale can substantially differ from the support scale in laboratory or field measurements of flow and transport parameters. The scale-dependence of flow a...

Global Simulations of Dynamo and Magnetorotational Instability in Madison Plasma Experiments and Astrophysical Disks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebrahimi, Fatima

2014-07-31

Large-scale magnetic fields have been observed in widely different types of astrophysical objects. These magnetic fields are believed to be caused by the so-called dynamo effect. Could a large-scale magnetic field grow out of turbulence (i.e. the alpha dynamo effect)? How could the topological properties and the complexity of magnetic field as a global quantity, the so called magnetic helicity, be important in the dynamo effect? In addition to understanding the dynamo mechanism in astrophysical accretion disks, anomalous angular momentum transport has also been a longstanding problem in accretion disks and laboratory plasmas. To investigate both dynamo and momentum transport,more » we have performed both numerical modeling of laboratory experiments that are intended to simulate nature and modeling of configurations with direct relevance to astrophysical disks. Our simulations use fluid approximations (Magnetohydrodynamics - MHD model), where plasma is treated as a single fluid, or two fluids, in the presence of electromagnetic forces. Our major physics objective is to study the possibility of magnetic field generation (so called MRI small-scale and large-scale dynamos) and its role in Magneto-rotational Instability (MRI) saturation through nonlinear simulations in both MHD and Hall regimes.« less

Violation of Field Line Conservation and Associated Spatial Scales in Particle-in-Cell Simulations and MMS Data

NASA Astrophysics Data System (ADS)

Wendel, D. E.; Liu, Y. H.; Giles, B. L.; Torbert, R. B.

2017-12-01

For the first time, space flight technology exists to detect, in situ, violation of magnetic field line conservation. The violation of magnetic line conservation on scales smaller than the system size is a necessary and sufficient condition for magnetic reconnection. We demonstrate that violation of line conservation produces a detectable, structured signature in both particle-in-cell simulations of reconnection and in data from the Magnetospheric Multi-Scale mission. In particle-in-cell simulations of asymmetric reconnection, the quantity-which we call M-that identifies this violation achieves a significant value in electron skin depth-scale layers that extend from the electron diffusion region along the separatrices, with higher values emerging on the low density, high magnetic field side of the current sheet. In two MMS burst data intervals associated with detection of the electron diffusion region—one interval with antiparallel reconnecting fields and the other with a guide field-we determine the location and scale of M and of the diffusion region relative to electron outflows and the magnetic separatrices. We find that M exceeds measurement uncertainties both at the diffusion region and near the separatrices, where it attains its highest values in layered structures. The observed magnitude scales as the simulated magnitude after adjusting for the artificial parameters of the simulation. Bipolar forms of the quantity also appear further from the diffusion region, possibly associated with electron holes. The measure serves not only as a powerful diagnostic for magnetic reconnection, but reveals that electrons transport this signature of reconnection away from the x-line.

Large Eddy Simulation in the Computation of Jet Noise

NASA Technical Reports Server (NTRS)

Mankbadi, R. R.; Goldstein, M. E.; Povinelli, L. A.; Hayder, M. E.; Turkel, E.

1999-01-01

Noise can be predicted by solving Full (time-dependent) Compressible Navier-Stokes Equation (FCNSE) with computational domain. The fluctuating near field of the jet produces propagating pressure waves that produce far-field sound. The fluctuating flow field as a function of time is needed in order to calculate sound from first principles. Noise can be predicted by solving the full, time-dependent, compressible Navier-Stokes equations with the computational domain extended to far field - but this is not feasible as indicated above. At high Reynolds number of technological interest turbulence has large range of scales. Direct numerical simulations (DNS) can not capture the small scales of turbulence. The large scales are more efficient than the small scales in radiating sound. The emphasize is thus on calculating sound radiated by large scales.

Impact of spectral nudging on the downscaling of tropical cyclones in regional climate simulations

NASA Astrophysics Data System (ADS)

Choi, Suk-Jin; Lee, Dong-Kyou

2016-06-01

This study investigated the simulations of three months of seasonal tropical cyclone (TC) activity over the western North Pacific using the Advanced Research WRF Model. In the control experiment (CTL), the TC frequency was considerably overestimated. Additionally, the tracks of some TCs tended to have larger radii of curvature and were shifted eastward. The large-scale environments of westerly monsoon flows and subtropical Pacific highs were unreasonably simulated. The overestimated frequency of TC formation was attributed to a strengthened westerly wind field in the southern quadrants of the TC center. In comparison with the experiment with the spectral nudging method, the strengthened wind speed was mainly modulated by large-scale flow that was greater than approximately 1000 km in the model domain. The spurious formation and undesirable tracks of TCs in the CTL were considerably improved by reproducing realistic large-scale atmospheric monsoon circulation with substantial adjustment between large-scale flow in the model domain and large-scale boundary forcing modified by the spectral nudging method. The realistic monsoon circulation took a vital role in simulating realistic TCs. It revealed that, in the downscaling from large-scale fields for regional climate simulations, scale interaction between model-generated regional features and forced large-scale fields should be considered, and spectral nudging is a desirable method in the downscaling method.

Grand Minima and Equatorward Propagation in a Cycling Stellar Convective Dynamo

NASA Astrophysics Data System (ADS)

Augustson, Kyle C.; Brun, Allan Sacha; Miesch, Mark; Toomre, Juri

2015-08-01

The 3-D magnetohydrodynamic (MHD) Anelastic Spherical Harmonic (ASH) code, using slope-limited diffusion, is employed to capture convective and dynamo processes achieved in a global-scale stellar convection simulation for a model solar-mass star rotating at three times the solar rate. The dynamo generated magnetic fields possesses many time scales, with a prominent polarity cycle occurring roughly every 6.2 years. The magnetic field forms large-scale toroidal wreaths, whose formation is tied to the low Rossby number of the convection in this simulation. The polarity reversals are linked to the weakened differential rotation and a resistive collapse of the large-scale magnetic field. An equatorial migration of the magnetic field is seen, which is due to the strong modulation of the differential rotation rather than a dynamo wave. A poleward migration of magnetic flux from the equator eventually leads to the reversal of the polarity of the high-latitude magnetic field. This simulation also enters an interval with reduced magnetic energy at low latitudes lasting roughly 16 years (about 2.5 polarity cycles), during which the polarity cycles are disrupted and after which the dynamo recovers its regular polarity cycles. An analysis of this grand minimum reveals that it likely arises through the interplay of symmetric and antisymmetric dynamo families. This intermittent dynamo state potentially results from the simulations relatively low magnetic Prandtl number. A mean-field-based analysis of this dynamo simulation demonstrates that it is of the α-Ω type. The time scales that appear to be relevant to the magnetic polarity reversal are also identified.

Deep Convection, Magnetism and Solar Supergranulation

NASA Astrophysics Data System (ADS)

Lord, J. W.

We examine the effect of deep convection and magnetic fields on solar supergranulation. While supergranulation was originally identified as a convective flow from relatively great depth below the solar surface, recent work suggests that supergranules may originate near the surface. We use the MURaM code to simulate solar-like surface convection with a realistic photosphere and domain size up to 197 x 197 x 49 Mm3. This yields nearly five orders of magnitude of density contrast between the bottom of the domain and the photosphere which is the most stratified solar-like convection simulations that we are aware of. Magnetic fields were thought to be a passive tracer in the photosphere, but recent work suggests that magnetism could provide a mechanism that enhances the supergranular scale flows at the surface. In particular, the enhanced radiative losses through long lived magnetic network elements may increase the lifetime of photospheric downflows and help organize low wavenumber flows. Since our simulation does not have sufficient resolution to resolve increased cooling by magnetic bright points, we artificially increase the radiative cooling in elements with strong magnetic flux. These simulations increase the cooling by 10% for magnetic field strength greater than 100 G. We find no statistically significant difference in the velocity or magnetic field spectrum by enhancing the radiative cooling. We also find no differences in the time scale of the flows or the length scales of the magnetic energy spectrum. This suggests that the magnetic field is determined by the flows and is largely a passive tracer. We use these simulations to construct a two-component model of the flows: for scales smaller than the driving (integral) scale (which is four times the local density scale height) the flows follow a Kolmogorov (k-5/3) spectrum, while larger scale modes decay with height from their driving depth (i.e. the depth where the wavelength of the mode is equal to the driving (integral) scale). This model reproduces the MURaM results well and suggests that the low wavenumber power in the photosphere imprints from below. In particular, the amplitude of the driving (integral) scale mode at each depth determines how much power imprints on the surface flows. This is validated by MURaM simulations of varying depth that show that increasing depths contribute power at a particular scale (or range of scales) that is always at lower wavenumbers than shallower flows. The mechanism for this imprinting remains unclear but, given the importance of the balances in the continuity equation to determining the spectrum of the flows, we suggest that pressure perturbations in the convective upflows are the imprinting mechanism. By comparing the MURaM simulations to SDO/HMI observations (using the coherent structure tracking code to compute the inferred horizontal velocities on both data sets), we find that the simulations have significant excess power for scales larger than supergranulation. The only way to match observations is by using an artificial energy flux to transport the solar luminosity for all depths greater than 10 Mm below the photosphere (down to the bottom of the domain at 49 Mm depth). While magnetic fields from small-scale dynamo simulations help reduce the rms velocity required to transport the solar luminosity below the surface, this provides only a small reduction in low wavenumber power in the photosphere. The convective energy transport in the Sun is constrained by theoretical models and the solar radiative luminosity. The amplitude or scale of the convective flows that transport the energy, however, are not constrained. The strong low wavenumber flows found in these local simulations are also present in current generation global simulations. While local or global dynamo magnetic fields may help suppress these large-scale flows, the magnetic fields must be substantially stronger throughout the convection domains for these simulations to match observations. The significant decrease in low wavenumber flow amplitude in the artificial energy flux simulation that matches the observed photospheric horizontal velocity spectrum suggests that convection in the Sun transports the solar luminosity with much weaker large-scale flows. This suggests that we do not understand how convective transport works in the Sun for depths greater than 10 Mm below the photosphere.

Spatial and spectral simulation of LANDSAT images of agricultural areas

NASA Technical Reports Server (NTRS)

Pont, W. F., Jr. (Principal Investigator)

1982-01-01

A LANDSAT scene simulation capability was developed to study the effects of small fields and misregistration on LANDSAT-based crop proportion estimation procedures. The simulation employs a pattern of ground polygons each with a crop ID, planting date, and scale factor. Historical greenness/brightness crop development profiles generate the mean signal values for each polygon. Historical within-field covariances add texture to pixels in each polygon. The planting dates and scale factors create between-field/within-crop variation. Between field and crop variation is achieved by the above and crop profile differences. The LANDSAT point spread function is used to add correlation between nearby pixels. The next effect of the point spread function is to blur the image. Mixed pixels and misregistration are also simulated.

Field-Scale Evaluation of Infiltration Parameters From Soil Texture for Hydrologic Analysis

NASA Astrophysics Data System (ADS)

Springer, Everett P.; Cundy, Terrance W.

1987-02-01

Recent interest in predicting soil hydraulic properties from simple physical properties such as texture has major implications in the parameterization of physically based models of surface runoff. This study was undertaken to (1) compare, on a field scale, soil hydraulic parameters predicted from texture to those derived from field measurements and (2) compare simulated overland flow response using these two parameter sets. The parameters for the Green-Ampt infiltration equation were obtained from field measurements and using texture-based predictors for two agricultural fields, which were mapped as single soil units. Results of the analyses were that (1) the mean and variance of the field-based parameters were not preserved by the texture-based estimates, (2) spatial and cross correlations between parameters were induced by the texture-based estimation procedures, (3) the overland flow simulations using texture-based parameters were significantly different than those from field-based parameters, and (4) simulations using field-measured hydraulic conductivities and texture-based storage parameters were very close to simulations using only field-based parameters.

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

Effect of the presence of oil on foam performance; A field simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Law, D.H.S.; Yang, Z.M.; Stone, T.W.

1992-05-01

This paper describes a field-scale sensitivity study of the effect of the presence of oil on foam performance in a steam-foam-drive process. The 2D field-scale simulation was based on a field pilot in the Karamay formation in Zin-Jiang, China. Numerical results showed that the detrimental effect of oil on the foam performance in field operations is significant. The success of a steam-foam process depended mainly on the ability of the foam to divert steam from the depleted zone.

Resolved magnetic dynamo action in the simulated intracluster medium

NASA Astrophysics Data System (ADS)

Vazza, F.; Brunetti, G.; Brüggen, M.; Bonafede, A.

2018-02-01

Faraday rotation and synchrotron emission from extragalactic radio sources give evidence for the presence of magnetic fields extending over ˜ Mpc scales. However, the origin of these fields remains elusive. With new high-resolution grid simulations, we studied the growth of magnetic fields in a massive galaxy cluster that in several aspects is similar to the Coma cluster. We investigated models in which magnetic fields originate from primordial seed fields with comoving strengths of 0.1 nG at redshift z = 30. The simulations show evidence of significant magnetic field amplification. At the best spatial resolution (3.95 kpc), we are able to resolve the scale where magnetic tension balances the bending of magnetic lines by turbulence. This allows us to observe the final growth stage of the small-scale dynamo. To our knowledge, this is the first time that this is seen in cosmological simulations of the intracluster medium. Our mock observations of Faraday rotation provide a good match to observations of the Coma cluster. However, the distribution of magnetic fields shows strong departures from a simple Maxwellian distribution, suggesting that the three-dimensional structure of magnetic fields in real clusters may be significantly different than what is usually assumed when inferring magnetic field values from rotation measure observations.

Formation of Electrostatic Potential Drops in the Auroral Zone

NASA Technical Reports Server (NTRS)

Schriver, D.; Ashour-Abdalla, M.; Richard, R. L.

2001-01-01

In order to examine the self-consistent formation of large-scale quasi-static parallel electric fields in the auroral zone on a micro/meso scale, a particle in cell simulation has been developed. The code resolves electron Debye length scales so that electron micro-processes are included and a variable grid scheme is used such that the overall length scale of the simulation is of the order of an Earth radii along the magnetic field. The simulation is electrostatic and includes the magnetic mirror force, as well as two types of plasmas, a cold dense ionospheric plasma and a warm tenuous magnetospheric plasma. In order to study the formation of parallel electric fields in the auroral zone, different magnetospheric ion and electron inflow boundary conditions are used to drive the system. It has been found that for conditions in the primary (upward) current region an upward directed quasi-static electric field can form across the system due to magnetic mirroring of the magnetospheric ions and electrons at different altitudes. For conditions in the return (downward) current region it is shown that a quasi-static parallel electric field in the opposite sense of that in the primary current region is formed, i.e., the parallel electric field is directed earthward. The conditions for how these different electric fields can be formed are discussed using satellite observations and numerical simulations.

Parsec-Scale Obscuring Accretion Disk with Large-Scale Magnetic Field in AGNs

NASA Technical Reports Server (NTRS)

Dorodnitsyn, A.; Kallman, T.

2017-01-01

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc (parsec) -scale torus in AGNs (Active Galactic Nuclei). Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate that the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.

Parsec-scale Obscuring Accretion Disk with Large-scale Magnetic Field in AGNs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dorodnitsyn, A.; Kallman, T.

A magnetic field dragged from the galactic disk, along with inflowing gas, can provide vertical support to the geometrically and optically thick pc-scale torus in AGNs. Using the Soloviev solution initially developed for Tokamaks, we derive an analytical model for a rotating torus that is supported and confined by a magnetic field. We further perform three-dimensional magneto-hydrodynamic simulations of X-ray irradiated, pc-scale, magnetized tori. We follow the time evolution and compare models that adopt initial conditions derived from our analytic model with simulations in which the initial magnetic flux is entirely contained within the gas torus. Numerical simulations demonstrate thatmore » the initial conditions based on the analytic solution produce a longer-lived torus that produces obscuration that is generally consistent with observed constraints.« less

Large-scale three-dimensional phase-field simulations for phase coarsening at ultrahigh volume fraction on high-performance architectures

NASA Astrophysics Data System (ADS)

Yan, Hui; Wang, K. G.; Jones, Jim E.

2016-06-01

A parallel algorithm for large-scale three-dimensional phase-field simulations of phase coarsening is developed and implemented on high-performance architectures. From the large-scale simulations, a new kinetics in phase coarsening in the region of ultrahigh volume fraction is found. The parallel implementation is capable of harnessing the greater computer power available from high-performance architectures. The parallelized code enables increase in three-dimensional simulation system size up to a 5123 grid cube. Through the parallelized code, practical runtime can be achieved for three-dimensional large-scale simulations, and the statistical significance of the results from these high resolution parallel simulations are greatly improved over those obtainable from serial simulations. A detailed performance analysis on speed-up and scalability is presented, showing good scalability which improves with increasing problem size. In addition, a model for prediction of runtime is developed, which shows a good agreement with actual run time from numerical tests.

Tropospheric transport differences between models using the same large-scale meteorological fields

NASA Astrophysics Data System (ADS)

Orbe, Clara; Waugh, Darryn W.; Yang, Huang; Lamarque, Jean-Francois; Tilmes, Simone; Kinnison, Douglas E.

2017-01-01

The transport of chemicals is a major uncertainty in the modeling of tropospheric composition. A common approach is to transport gases using the winds from meteorological analyses, either using them directly in a chemical transport model or by constraining the flow in a general circulation model. Here we compare the transport of idealized tracers in several different models that use the same meteorological fields taken from Modern-Era Retrospective analysis for Research and Applications (MERRA). We show that, even though the models use the same meteorological fields, there are substantial differences in their global-scale tropospheric transport related to large differences in parameterized convection between the simulations. Furthermore, we find that the transport differences between simulations constrained with the same-large scale flow are larger than differences between free-running simulations, which have differing large-scale flow but much more similar convective mass fluxes. Our results indicate that more attention needs to be paid to convective parameterizations in order to understand large-scale tropospheric transport in models, particularly in simulations constrained with analyzed winds.

Solar Wind Turbulent Cascade from MHD to Sub-ion Scales: Large-size 3D Hybrid Particle-in-cell Simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Landi, Simone; Verdini, Andrea; Matteini, Lorenzo; Hellinger, Petr

2018-01-01

Properties of the turbulent cascade from fluid to kinetic scales in collisionless plasmas are investigated by means of large-size 3D hybrid (fluid electrons, kinetic protons) particle-in-cell simulations. Initially isotropic Alfvénic fluctuations rapidly develop a strongly anisotropic turbulent cascade, mainly in the direction perpendicular to the ambient magnetic field. The omnidirectional magnetic field spectrum shows a double power-law behavior over almost two decades in wavenumber, with a Kolmogorov-like index at large scales, a spectral break around ion scales, and a steepening at sub-ion scales. Power laws are also observed in the spectra of the ion bulk velocity, density, and electric field, at both magnetohydrodynamic (MHD) and kinetic scales. Despite the complex structure, the omnidirectional spectra of all fields at ion and sub-ion scales are in remarkable quantitative agreement with those of a 2D simulation with similar physical parameters. This provides a partial, a posteriori validation of the 2D approximation at kinetic scales. Conversely, at MHD scales, the spectra of the density and of the velocity (and, consequently, of the electric field) exhibit differences between the 2D and 3D cases. Although they can be partly ascribed to the lower spatial resolution, the main reason is likely the larger importance of compressible effects in the full 3D geometry. Our findings are also in remarkable quantitative agreement with solar wind observations.

Dispersion Analysis Using Particle Tracking Simulations Through Heterogeneity Based on Outcrop Lidar Imagery

NASA Astrophysics Data System (ADS)

Klise, K. A.; Weissmann, G. S.; McKenna, S. A.; Tidwell, V. C.; Frechette, J. D.; Wawrzyniec, T. F.

2007-12-01

Solute plumes are believed to disperse in a non-Fickian manner due to small-scale heterogeneity and variable velocities that create preferential pathways. In order to accurately predict dispersion in naturally complex geologic media, the connection between heterogeneity and dispersion must be better understood. Since aquifer properties can not be measured at every location, it is common to simulate small-scale heterogeneity with random field generators based on a two-point covariance (e.g., through use of sequential simulation algorithms). While these random fields can produce preferential flow pathways, it is unknown how well the results simulate solute dispersion through natural heterogeneous media. To evaluate the influence that complex heterogeneity has on dispersion, we utilize high-resolution terrestrial lidar to identify and model lithofacies from outcrop for application in particle tracking solute transport simulations using RWHet. The lidar scan data are used to produce a lab (meter) scale two-dimensional model that captures 2-8 mm scale natural heterogeneity. Numerical simulations utilize various methods to populate the outcrop structure captured by the lidar-based image with reasonable hydraulic conductivity values. The particle tracking simulations result in residence time distributions used to evaluate the nature of dispersion through complex media. Particle tracking simulations through conductivity fields produced from the lidar images are then compared to particle tracking simulations through hydraulic conductivity fields produced from sequential simulation algorithms. Based on this comparison, the study aims to quantify the difference in dispersion when using realistic and simplified representations of aquifer heterogeneity. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-08-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River Basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow-paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW simulation environment, and the PEST tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop log-normally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow-paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

The scaling of oblique plasma double layers

NASA Technical Reports Server (NTRS)

Borovsky, J. E.

1983-01-01

Strong oblique plasma double layers are investigated using three methods, i.e., electrostatic particle-in-cell simulations, numerical solutions to the Poisson-Vlasov equations, and analytical approximations to the Poisson-Vlasov equations. The solutions to the Poisson-Vlasov equations and numerical simulations show that strong oblique double layers scale in terms of Debye lengths. For very large potential jumps, theory and numerical solutions indicate that all effects of the magnetic field vanish and the oblique double layers follow the same scaling relation as the field-aligned double layers.

High-resolution hybrid simulations of turbulence from inertial to sub-proton scales

NASA Astrophysics Data System (ADS)

Franci, Luca; Hellinger, Petr; Landi, Simone; Matteini, Lorenzo; Verdini, Andrea

2015-04-01

We investigate properties of turbulence from MHD scales to ion scales by means of two-dimensional, large-scale, high-resolution hybrid particle-in-cell simulations, which to our knowledge constitute the most accurate hybrid simulations of ion scale turbulence ever presented so far. We impose an initial ambient magnetic field perpendicular to the simulation box, and we add a spectrum of large-scale, linearly polarized Alfvén waves, balanced and Alfvénically equipartitioned, on average. When turbulence is fully developed, we observe an inertial range which is characterized by the power spectrum of perpendicular magnetic field fluctuations following a Kolmogorov law with spectral index close to -5/3, while the proton bulk velocity fluctuations exhibit a less steeper slope with index close to -3/2. Both these trends hold over a full decade. A definite transition is observed at a scale of the order of the proton inertial length, above which both spectra steepen, with the perpendicular magnetic field still exhibiting a power law with spectral index about -3 over another full decade. The spectrum of perpendicular electric fluctuations follows the one of the proton bulk velocity at MHD scales and reaches a sort of plateau at small scales. The turbulent nature of our data is also supported by the presence of intermittency. This is revealed by the non-Gaussianity of the probability distribution functions of MHD primitive variables increasing as approaching kinetic scales. All these features are in good agreement with solar wind observations.

Global diffusion of cosmic rays in random magnetic fields

NASA Astrophysics Data System (ADS)

Snodin, A. P.; Shukurov, A.; Sarson, G. R.; Bushby, P. J.; Rodrigues, L. F. S.

2016-04-01

The propagation of charged particles, including cosmic rays, in a partially ordered magnetic field is characterized by a diffusion tensor whose components depend on the particle's Larmor radius RL and the degree of order in the magnetic field. Most studies of the particle diffusion presuppose a scale separation between the mean and random magnetic fields (e.g. there being a pronounced minimum in the magnetic power spectrum at intermediate scales). Scale separation is often a good approximation in laboratory plasmas, but not in most astrophysical environments such as the interstellar medium (ISM). Modern simulations of the ISM have numerical resolution of the order of 1 pc, so the Larmor radius of the cosmic rays that dominate in energy density is at least 106 times smaller than the resolved scales. Large-scale simulations of cosmic ray propagation in the ISM thus rely on oversimplified forms of the diffusion tensor. We take the first steps towards a more realistic description of cosmic ray diffusion for such simulations, obtaining direct estimates of the diffusion tensor from test particle simulations in random magnetic fields (with the Larmor radius scale being fully resolved), for a range of particle energies corresponding to 10-2 ≲ RL/lc ≲ 103, where lc is the magnetic correlation length. We obtain explicit expressions for the cosmic ray diffusion tensor for RL/lc ≪ 1, that might be used in a sub-grid model of cosmic ray diffusion. The diffusion coefficients obtained are closely connected with existing transport theories that include the random walk of magnetic lines.

Prediction of Gas Injection Performance for Heterogeneous Reservoirs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blunt, Martin J.; Orr, Franklin M.

This report describes research carried out in the Department of Petroleum Engineering at Stanford University from September 1997 - September 1998 under the second year of a three-year grant from the Department of Energy on the "Prediction of Gas Injection Performance for Heterogeneous Reservoirs." The research effort is an integrated study of the factors affecting gas injection, from the pore scale to the field scale, and involves theoretical analysis, laboratory experiments, and numerical simulation. The original proposal described research in four areas: (1) Pore scale modeling of three phase flow in porous media; (2) Laboratory experiments and analysis of factorsmore » influencing gas injection performance at the core scale with an emphasis on the fundamentals of three phase flow; (3) Benchmark simulations of gas injection at the field scale; and (4) Development of streamline-based reservoir simulator. Each state of the research is planned to provide input and insight into the next stage, such that at the end we should have an integrated understanding of the key factors affecting field scale displacements.« less

Evolution of the magnetorotational instability on initially tangled magnetic fields

NASA Astrophysics Data System (ADS)

Bhat, Pallavi; Ebrahimi, Fatima; Blackman, Eric G.; Subramanian, Kandaswamy

2017-12-01

The initial magnetic field of previous magnetorotational instability (MRI) simulations has always included a significant system-scale component, even if stochastic. However, it is of conceptual and practical interest to assess whether the MRI can grow when the initial field is turbulent. The ubiquitous presence of turbulent or random flows in astrophysical plasmas generically leads to a small-scale dynamo (SSD), which would provide initial seed turbulent velocity and magnetic fields in the plasma that becomes an accretion disc. Can the MRI grow from these more realistic initial conditions? To address this, we supply a standard shearing box with isotropically forced SSD generated magnetic and velocity fields as initial conditions and remove the forcing. We find that if the initially supplied fields are too weak or too incoherent, they decay from the initial turbulent cascade faster than they can grow via the MRI. When the initially supplied fields are sufficient to allow MRI growth and sustenance, the saturated stresses, large-scale fields and power spectra match those of the standard zero net flux MRI simulation with an initial large-scale vertical field.

Flow field prediction in full-scale Carrousel oxidation ditch by using computational fluid dynamics.

PubMed

Yang, Yin; Wu, Yingying; Yang, Xiao; Zhang, Kai; Yang, Jiakuan

2010-01-01

In order to optimize the flow field in a full-scale Carrousel oxidation ditch with many sets of disc aerators operating simultaneously, an experimentally validated numerical tool, based on computational fluid dynamics (CFD), was proposed. A full-scale, closed-loop bioreactor (Carrousel oxidation ditch) in Ping Dingshan Sewage Treatment Plant in Ping Dingshan City, a medium-sized city in Henan Province of China, was evaluated using CFD. Moving wall model was created to simulate many sets of disc aerators which created fluid motion in the ditch. The simulated results were acceptable compared with the experimental data and the following results were obtained: (1) a new method called moving wall model could simulate the flow field in Carrousel oxidation ditch with many sets of disc aerators operating simultaneously. The whole number of cells of grids decreased significantly, thus the calculation amount decreased, and (2) CFD modeling generally characterized the flow pattern in the full-scale tank. 3D simulation could be a good supplement for improving the hydrodynamic performance in oxidation ditch designs.

Validity of flowmeter data in heterogeneous alluvial aquifers

NASA Astrophysics Data System (ADS)

Bianchi, Marco

2017-04-01

Numerical simulations are performed to evaluate the impact of medium-scale sedimentary architecture and small-scale heterogeneity on the validity of the borehole flowmeter test, a widely used method for measuring hydraulic conductivity (K) at the scale required for detailed groundwater flow and solute transport simulations. Reference data from synthetic K fields representing the range of structures and small-scale heterogeneity typically observed in alluvial systems are compared with estimated values from numerical simulations of flowmeter tests. Systematic errors inherent in the flowmeter K estimates are significant when the reference K field structure deviates from the hypothetical perfectly stratified conceptual model at the basis of the interpretation method of flowmeter tests. Because of these errors, the true variability of the K field is underestimated and the distributions of the reference K data and log-transformed spatial increments are also misconstrued. The presented numerical analysis shows that the validity of flowmeter based K data depends on measureable parameters defining the architecture of the hydrofacies, the conductivity contrasts between the hydrofacies and the sub-facies-scale K variability. A preliminary geological characterization is therefore essential for evaluating the optimal approach for accurate K field characterization.

Solar Magnetic Carpet III: Coronal Modelling of Synthetic Magnetograms

NASA Astrophysics Data System (ADS)

Meyer, K. A.; Mackay, D. H.; van Ballegooijen, A. A.; Parnell, C. E.

2013-09-01

This article is the third in a series working towards the construction of a realistic, evolving, non-linear force-free coronal-field model for the solar magnetic carpet. Here, we present preliminary results of 3D time-dependent simulations of the small-scale coronal field of the magnetic carpet. Four simulations are considered, each with the same evolving photospheric boundary condition: a 48-hour time series of synthetic magnetograms produced from the model of Meyer et al. ( Solar Phys. 272, 29, 2011). Three simulations include a uniform, overlying coronal magnetic field of differing strength, the fourth simulation includes no overlying field. The build-up, storage, and dissipation of magnetic energy within the simulations is studied. In particular, we study their dependence upon the evolution of the photospheric magnetic field and the strength of the overlying coronal field. We also consider where energy is stored and dissipated within the coronal field. The free magnetic energy built up is found to be more than sufficient to power small-scale, transient phenomena such as nanoflares and X-ray bright points, with the bulk of the free energy found to be stored low down, between 0.5 - 0.8 Mm. The energy dissipated is currently found to be too small to account for the heating of the entire quiet-Sun corona. However, the form and location of energy-dissipation regions qualitatively agree with what is observed on small scales on the Sun. Future MHD modelling using the same synthetic magnetograms may lead to a higher energy release.

Large-scale modeling of rain fields from a rain cell deterministic model

NASA Astrophysics Data System (ADS)

FéRal, Laurent; Sauvageot, Henri; Castanet, Laurent; Lemorton, JoëL.; Cornet, FréDéRic; Leconte, Katia

2006-04-01

A methodology to simulate two-dimensional rain rate fields at large scale (1000 × 1000 km2, the scale of a satellite telecommunication beam or a terrestrial fixed broadband wireless access network) is proposed. It relies on a rain rate field cellular decomposition. At small scale (˜20 × 20 km2), the rain field is split up into its macroscopic components, the rain cells, described by the Hybrid Cell (HYCELL) cellular model. At midscale (˜150 × 150 km2), the rain field results from the conglomeration of rain cells modeled by HYCELL. To account for the rain cell spatial distribution at midscale, the latter is modeled by a doubly aggregative isotropic random walk, the optimal parameterization of which is derived from radar observations at midscale. The extension of the simulation area from the midscale to the large scale (1000 × 1000 km2) requires the modeling of the weather frontal area. The latter is first modeled by a Gaussian field with anisotropic covariance function. The Gaussian field is then turned into a binary field, giving the large-scale locations over which it is raining. This transformation requires the definition of the rain occupation rate over large-scale areas. Its probability distribution is determined from observations by the French operational radar network ARAMIS. The coupling with the rain field modeling at midscale is immediate whenever the large-scale field is split up into midscale subareas. The rain field thus generated accounts for the local CDF at each point, defining a structure spatially correlated at small scale, midscale, and large scale. It is then suggested that this approach be used by system designers to evaluate diversity gain, terrestrial path attenuation, or slant path attenuation for different azimuth and elevation angle directions.

Extended-Range High-Resolution Dynamical Downscaling over a Continental-Scale Domain

NASA Astrophysics Data System (ADS)

Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

2014-12-01

High-resolution mesoscale simulations, when applied for downscaling meteorological fields over large spatial domains and for extended time periods, can provide valuable information for many practical application scenarios including the weather-dependent renewable energy industry. In the present study, a strategy has been proposed to dynamically downscale coarse-resolution meteorological fields from Environment Canada's regional analyses for a period of multiple years over the entire Canadian territory. The study demonstrates that a continuous mesoscale simulation over the entire domain is the most suitable approach in this regard. Large-scale deviations in the different meteorological fields pose the biggest challenge for extended-range simulations over continental scale domains, and the enforcement of the lateral boundary conditions is not sufficient to restrict such deviations. A scheme has therefore been developed to spectrally nudge the simulated high-resolution meteorological fields at the different model vertical levels towards those embedded in the coarse-resolution driving fields derived from the regional analyses. A series of experiments were carried out to determine the optimal nudging strategy including the appropriate nudging length scales, nudging vertical profile and temporal relaxation. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil-moisture, and snow conditions, towards their expected values obtained from a high-resolution offline surface scheme was also devised to limit any considerable deviation in the evolving surface fields due to extended-range temporal integrations. The study shows that ensuring large-scale atmospheric similarities helps to deliver near-surface statistical scores for temperature, dew point temperature and horizontal wind speed that are better or comparable to the operational regional forecasts issued by Environment Canada. Furthermore, the meteorological fields resulting from the proposed downscaling strategy have significantly improved spatiotemporal variance compared to those from the operational forecasts, and any time series generated from the downscaled fields do not suffer from discontinuities due to switching between the consecutive forecasts.

Space-based Doppler lidar sampling strategies: Algorithm development and simulated observation experiments

NASA Technical Reports Server (NTRS)

Emmitt, G. D.; Wood, S. A.; Morris, M.

1990-01-01

Lidar Atmospheric Wind Sounder (LAWS) Simulation Models (LSM) were developed to evaluate the potential impact of global wind observations on the basic understanding of the Earth's atmosphere and on the predictive skills of current forecast models (GCM and regional scale). Fully integrated top to bottom LAWS Simulation Models for global and regional scale simulations were developed. The algorithm development incorporated the effects of aerosols, water vapor, clouds, terrain, and atmospheric turbulence into the models. Other additions include a new satellite orbiter, signal processor, line of sight uncertainty model, new Multi-Paired Algorithm and wind error analysis code. An atmospheric wind field library containing control fields, meteorological fields, phenomena fields, and new European Center for Medium Range Weather Forecasting (ECMWF) data was also added. The LSM was used to address some key LAWS issues and trades such as accuracy and interpretation of LAWS information, data density, signal strength, cloud obscuration, and temporal data resolution.

From innervation density to tactile acuity: 1. Spatial representation.

PubMed

Brown, Paul B; Koerber, H Richard; Millecchia, Ronald

2004-06-11

We tested the hypothesis that the population receptive field representation (a superposition of the excitatory receptive field areas of cells responding to a tactile stimulus) provides spatial information sufficient to mediate one measure of static tactile acuity. In psychophysical tests, two-point discrimination thresholds on the hindlimbs of adult cats varied as a function of stimulus location and orientation, as they do in humans. A statistical model of the excitatory low threshold mechanoreceptive fields of spinocervical, postsynaptic dorsal column and spinothalamic tract neurons was used to simulate the population receptive field representations in this neural population of the one- and two-point stimuli used in the psychophysical experiments. The simulated and observed thresholds were highly correlated. Simulated and observed thresholds' relations to physiological and anatomical variables such as stimulus location and orientation, receptive field size and shape, map scale, and innervation density were strikingly similar. Simulated and observed threshold variations with receptive field size and map scale obeyed simple relationships predicted by the signal detection model, and were statistically indistinguishable from each other. The population receptive field representation therefore contains information sufficient for this discrimination.

Large-eddy simulation of laminar-turbulent breakdown at high speeds with dynamic subgrid-scale modeling

NASA Technical Reports Server (NTRS)

El-Hady, Nabil M.

1993-01-01

The laminar-turbulent breakdown of a boundary-layer flow along a hollow cylinder at Mach 4.5 is investigated with large-eddy simulation. The subgrid scales are modeled dynamically, where the model coefficients are determined from the local resolved field. The behavior of the dynamic-model coefficients is investigated through both an a priori test with direct numerical simulation data for the same case and a complete large-eddy simulation. Both formulations proposed by Germano et al. and Lilly are used for the determination of unique coefficients for the dynamic model and their results are compared and assessed. The behavior and the energy cascade of the subgrid-scale field structure are investigated at various stages of the transition process. The investigations are able to duplicate a high-speed transition phenomenon observed in experiments and explained only recently by the direct numerical simulations of Pruett and Zang, which is the appearance of 'rope-like' waves. The nonlinear evolution and breakdown of the laminar boundary layer and the structure of the flow field during the transition process were also investigated.

The effects of magnetic fields and protostellar feedback on low-mass cluster formation

NASA Astrophysics Data System (ADS)

Cunningham, Andrew J.; Krumholz, Mark R.; McKee, Christopher F.; Klein, Richard I.

2018-05-01

We present a large suite of simulations of the formation of low-mass star clusters. Our simulations include an extensive set of physical processes - magnetohydrodynamics, radiative transfer, and protostellar outflows - and span a wide range of virial parameters and magnetic field strengths. Comparing the outcomes of our simulations to observations, we find that simulations remaining close to virial balance throughout their history produce star formation efficiencies and initial mass function (IMF) peaks that are stable in time and in reasonable agreement with observations. Our results indicate that small-scale dissipation effects near the protostellar surface provide a feedback loop for stabilizing the star formation efficiency. This is true regardless of whether the balance is maintained by input of energy from large-scale forcing or by strong magnetic fields that inhibit collapse. In contrast, simulations that leave virial balance and undergo runaway collapse form stars too efficiently and produce an IMF that becomes increasingly top heavy with time. In all cases, we find that the competition between magnetic flux advection towards the protostar and outward advection due to magnetic interchange instabilities, and the competition between turbulent amplification and reconnection close to newly formed protostars renders the local magnetic field structure insensitive to the strength of the large-scale field, ensuring that radiation is always more important than magnetic support in setting the fragmentation scale and thus the IMF peak mass. The statistics of multiple stellar systems are similarly insensitive to variations in the initial conditions and generally agree with observations within the range of statistical uncertainty.

Particle Acceleration and Magnetic Field Generation in Electron-Positron Relativistic Shocks

NASA Technical Reports Server (NTRS)

Nishikawa, K.-L.; Hardee, P.; Richardson, G.; Preece, R.; Sol, H.; Fishman, G. J.

2004-01-01

Shock acceleration is an ubiquitous phenomenon in astrophysical plasmas. Plasma waves and their associated instabilities (e.g., Buneman, Weibel and other two-stream instabilities) created in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a 3-D relativistic electromagnetic particle (REMP) code, we have investigated particle acceleration associated with a relativistic electron-positron jet front propagating into an ambient electron-positron plasma with and without initial magnetic fields. We find small differences in the results for no ambient and modest ambient magnetic fields. Simulations show that the Weibel instability created in the collisionless shock front accelerates jet and ambient particles both perpendicular and parallel to the jet propagation direction. The non-linear fluctuation amplitudes of densities, currents, electric, and magnetic fields in the electron-positron shock are larger than those found in the electron-ion shock studied in a previous paper at the comparable simulation time. This comes from the fact that both electrons and positrons contribute to generation of the Weibel instability. Additionally, we have performed simulations with different electron skin depths. We find that growth times scale inversely with the plasma frequency, and the sizes of structures created by the Weibel instability scale proportional to the electron skin depth. This is the expected result and indicates that the simulations have sufficient grid resolution. While some Fermi acceleration may occur at the jet front, the majority of electron and positron acceleration takes place behind the jet front and cannot be characterized as Fermi acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying nonuniform: small-scale magnetic fields which contribute to the electron's (positron's) transverse deflection behind the jet head. This small scale magnetic field structure is appropriate to the generation of jitter radiation from deflected electrons (positrons) as opposed to synchrotron radiation. The jitter radiation has different properties than synchrotron radiation calculated assuming a a uniform magnetic field. The jitter radiation resulting from small scale magnetic field structures may be important for understanding the complex time structure and spectral evolution observed in gamma-ray bursts or other astrophysical sources containing relativistic jets and relativistic collisionless shocks.

Particle Acceleration and Magnetic Field Generation in Electron-Positron Relativistic Shocks

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Hardee, P.; Richardson, G.; Preece, R.; Sol, H.; Fishman, G. J.

2005-01-01

Shock acceleration is a ubiquitous phenomenon in astrophysical plasmas. Plasma waves and their associated instabilities (e.g., Buneman, Weibel, and other two-stream instabilities) created in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a three-dimensional relativistic electromagnetic particle (REMP) code, we have investigated particle acceleration associated with a relativistic electron-positron jet front propagating into an ambient electron-positron plasma with and without initial magnetic fields. We find small differences in the results for no ambient and modest ambient magnetic fields. New simulations show that the Weibel instability created in the collisionless shock front accelerates jet and ambient particles both perpendicular and parallel to the jet propagation direction. Furthermore, the nonlinear fluctuation amplitudes of densities, currents, and electric and magnetic fields in the electron-positron shock are larger than those found in the electron-ion shock studied in a previous paper at a comparable simulation time. This comes from the fact that both electrons and positrons contribute to generation of the Weibel instability. In addition, we have performed simulations with different electron skin depths. We find that growth times scale inversely with the plasma frequency, and the sizes of structures created by tine Weibel instability scale proportionally to the electron skin depth. This is the expected result and indicates that the simulations have sufficient grid resolution. While some Fermi acceleration may occur at the jet front, the majority of electron and positron acceleration takes place behind the jet front and cannot be characterized as Fermi acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying nonuniform, small-scale magnetic fields, which contribute to the electron s (positron s) transverse deflection behind the jet head. This small- scale magnetic field structure is appropriate to the generation of "jitter" radiation from deflected electrons (positrons) as opposed to synchrotron radiation. The jitter radiation has different properties than synchrotron radiation calculated assuming a uniform magnetic field. The jitter radiation resulting from small-scale magnetic field structures may be important for understanding the complex time structure and spectral evolution observed in gamma-ray bursts or other astrophysical sources containing relativistic jets and relativistic collisionless shocks.

Effect of Varying the 1-4 Intramolecular Scaling Factor in Atomistic Simulations of Long-Chain N-alkanes with the OPLS-AA Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Almeida, Valmor F; Ye, Xianggui; Cui, Shengting

2013-01-01

A comprehensive molecular dynamics simulation study of n-alkanes using the Optimized Potential for Liquid Simulation-All Atoms (OPLS-AA) force field at ambient condition has been performed. Our results indicate that while simulations with the OPLS-AA force field accurately predict the liquid state mass density for n-alkanes with carbon number equal or less than 10, for n-alkanes with carbon number equal or exceeding 12, the OPLS-AA force field with the standard scaling factor for the 1-4 intramolecular Van der Waals and electrostatic interaction gives rise to a quasi-crystalline structure. We found that accurate predictions of the liquid state properties are obtained bymore » successively reducing the aforementioned scaling factor for each increase of the carbon number beyond n-dodecane. To better un-derstand the effects of reducing the scaling factor, we analyzed the variation of the torsion potential pro-file with the scaling factor, and the corresponding impact on the gauche-trans conformer distribution, heat of vaporization, melting point, and self-diffusion coefficient for n-dodecane. This relatively simple procedure thus allows for more accurate predictions of the thermo-physical properties of longer n-alkanes.« less

The scale invariant generator technique for quantifying anisotropic scale invariance

NASA Astrophysics Data System (ADS)

Lewis, G. M.; Lovejoy, S.; Schertzer, D.; Pecknold, S.

1999-11-01

Scale invariance is rapidly becoming a new paradigm for geophysics. However, little attention has been paid to the anisotropy that is invariably present in geophysical fields in the form of differential stratification and rotation, texture and morphology. In order to account for scaling anisotropy, the formalism of generalized scale invariance (GSI) was developed. Until now there has existed only a single fairly ad hoc GSI analysis technique valid for studying differential rotation. In this paper, we use a two-dimensional representation of the linear approximation to generalized scale invariance, to obtain a much improved technique for quantifying anisotropic scale invariance called the scale invariant generator technique (SIG). The accuracy of the technique is tested using anisotropic multifractal simulations and error estimates are provided for the geophysically relevant range of parameters. It is found that the technique yields reasonable estimates for simulations with a diversity of anisotropic and statistical characteristics. The scale invariant generator technique can profitably be applied to the scale invariant study of vertical/horizontal and space/time cross-sections of geophysical fields as well as to the study of the texture/morphology of fields.

Additional confirmation of the validity of laboratory simulation of cloud radiances

NASA Technical Reports Server (NTRS)

Davis, J. M.; Cox, S. K.

1986-01-01

The results of a laboratory experiment are presented that provide additional verification of the methodology adopted for simulation of the radiances reflected from fields of optically thick clouds using the Cloud Field Optical Simulator (CFOS) at Colorado State University. The comparison of these data with their theoretically derived counterparts indicates that the crucial mechanism of cloud-to-cloud radiance field interaction is accurately simulated in the CFOS experiments and adds confidence to the manner in which the optical depth is scaled.

A compositional reservoir simulator on distributed memory parallel computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rame, M.; Delshad, M.

1995-12-31

This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. Amore » portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented.« less

Nonlinear effects of locally heterogeneous hydraulic conductivity fields on regional stream-aquifer exchanges

NASA Astrophysics Data System (ADS)

Zhu, J.; Winter, C. L.; Wang, Z.

2015-11-01

Computational experiments are performed to evaluate the effects of locally heterogeneous conductivity fields on regional exchanges of water between stream and aquifer systems in the Middle Heihe River basin (MHRB) of northwestern China. The effects are found to be nonlinear in the sense that simulated discharges from aquifers to streams are systematically lower than discharges produced by a base model parameterized with relatively coarse effective conductivity. A similar, but weaker, effect is observed for stream leakage. The study is organized around three hypotheses: (H1) small-scale spatial variations of conductivity significantly affect regional exchanges of water between streams and aquifers in river basins, (H2) aggregating small-scale heterogeneities into regional effective parameters systematically biases estimates of stream-aquifer exchanges, and (H3) the biases result from slow paths in groundwater flow that emerge due to small-scale heterogeneities. The hypotheses are evaluated by comparing stream-aquifer fluxes produced by the base model to fluxes simulated using realizations of the MHRB characterized by local (grid-scale) heterogeneity. Levels of local heterogeneity are manipulated as control variables by adjusting coefficients of variation. All models are implemented using the MODFLOW (Modular Three-dimensional Finite-difference Groundwater Flow Model) simulation environment, and the PEST (parameter estimation) tool is used to calibrate effective conductivities defined over 16 zones within the MHRB. The effective parameters are also used as expected values to develop lognormally distributed conductivity (K) fields on local grid scales. Stream-aquifer exchanges are simulated with K fields at both scales and then compared. Results show that the effects of small-scale heterogeneities significantly influence exchanges with simulations based on local-scale heterogeneities always producing discharges that are less than those produced by the base model. Although aquifer heterogeneities are uncorrelated at local scales, they appear to induce coherent slow paths in groundwater fluxes that in turn reduce aquifer-stream exchanges. Since surface water-groundwater exchanges are critical hydrologic processes in basin-scale water budgets, these results also have implications for water resources management.

A compartmentalized solute transport model for redox zones in contaminated aquifers: 2. Field‐scale simulations

USGS Publications Warehouse

Abrams , Robert H.; Loague, Keith

2000-01-01

This paper, the second of two parts [see Abrams and Loague, this issue], reports the field‐scale application of COMPTRAN (compartmentalized solute transport model) for simulating the development of redox zones. COMPTRAN is fully developed and described in the companion paper. Redox zones, which are often delineated by the relative concentrations of dissolved oxygen, have been observed around the globe. The distribution of other redox‐sensitive species is affected by redox zonation. At the U.S. Geological Survey's Cape Cod research site, an anoxic zone containing high concentrations of dissolved iron has been observed. Field data were abstracted from the Cape Cod site for the one‐dimensional and two‐dimensional COMPTRAN simulations reported in this paper. The purpose of the concept‐development simulations was to demonstrate that the compartmentalized approach reported by Abrams et al. [1998] can be linked with a solute transport model to simulate field‐scale phenomena. The results presented in this paper show that COMPTRAN successfully simulated the development of redox zones at the field scale, including trends in pH and alkalinity. Thermodynamic constraints were used to prevent lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium among all redox species. Empirical methods of reaction inhibition were not needed for the simulations conducted for this study. COMPTRAN can be extended easily to include additional compartments and reactions and is capable of handling complex velocity fields in more than one dimension.

Continuum percolation of polydisperse rods in quadrupole fields: Theory and simulations.

PubMed

Finner, Shari P; Kotsev, Mihail I; Miller, Mark A; van der Schoot, Paul

2018-01-21

We investigate percolation in mixtures of nanorods in the presence of external fields that align or disalign the particles with the field axis. Such conditions are found in the formulation and processing of nanocomposites, where the field may be electric, magnetic, or due to elongational flow. Our focus is on the effect of length polydispersity, which-in the absence of a field-is known to produce a percolation threshold that scales with the inverse weight average of the particle length. Using a model of non-interacting spherocylinders in conjunction with connectedness percolation theory, we show that a quadrupolar field always increases the percolation threshold and that the universal scaling with the inverse weight average no longer holds if the field couples to the particle length. Instead, the percolation threshold becomes a function of higher moments of the length distribution, where the order of the relevant moments crucially depends on the strength and type of field applied. The theoretical predictions compare well with the results of our Monte Carlo simulations, which eliminate finite size effects by exploiting the fact that the universal scaling of the wrapping probability function holds even in anisotropic systems. Theory and simulation demonstrate that the percolation threshold of a polydisperse mixture can be lower than that of the individual components, confirming recent work based on a mapping onto a Bethe lattice as well as earlier computer simulations involving dipole fields. Our work shows how the formulation of nanocomposites may be used to compensate for the adverse effects of aligning fields that are inevitable under practical manufacturing conditions.

Characteristics of Tornado-Like Vortices Simulated in a Large-Scale Ward-Type Simulator

NASA Astrophysics Data System (ADS)

Tang, Zhuo; Feng, Changda; Wu, Liang; Zuo, Delong; James, Darryl L.

2018-02-01

Tornado-like vortices are simulated in a large-scale Ward-type simulator to further advance the understanding of such flows, and to facilitate future studies of tornado wind loading on structures. Measurements of the velocity fields near the simulator floor and the resulting floor surface pressures are interpreted to reveal the mean and fluctuating characteristics of the flow as well as the characteristics of the static-pressure deficit. We focus on the manner in which the swirl ratio and the radial Reynolds number affect these characteristics. The transition of the tornado-like flow from a single-celled vortex to a dual-celled vortex with increasing swirl ratio and the impact of this transition on the flow field and the surface-pressure deficit are closely examined. The mean characteristics of the surface-pressure deficit caused by tornado-like vortices simulated at a number of swirl ratios compare well with the corresponding characteristics recorded during full-scale tornadoes.

Simulations of Dynamo and Magnetorotational Instability in Madison Plasma Experiments and Astrophysical Disks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebrahimi, Fatima

Magnetic fields are observed to exist on all scales in many astrophysical sources such as stars, galaxies, and accretion discs. Understanding the origin of large scale magnetic fields, whereby the field emerges on spatial scales large compared to the fluctuations, has been a particularly long standing challenge. Our physics objective are: 1) what are the minimum ingredients for large-scale dynamo growth? 2) could a large-scale magnetic field grow out of turbulence and sustained despite the presence of dissipation? These questions are fundamental for understanding the large-scale dynamo in both laboratory and astrophysical plasmas. Here, we report major new findings inmore » the area of Large-Scale Dynamo (magnetic field generation).« less

Using nudging to improve global-regional dynamic consistency in limited-area climate modeling: What should we nudge?

NASA Astrophysics Data System (ADS)

Omrani, Hiba; Drobinski, Philippe; Dubos, Thomas

2015-03-01

Regional climate modelling sometimes requires that the regional model be nudged towards the large-scale driving data to avoid the development of inconsistencies between them. These inconsistencies are known to produce large surface temperature and rainfall artefacts. Therefore, it is essential to maintain the synoptic circulation within the simulation domain consistent with the synoptic circulation at the domain boundaries. Nudging techniques, initially developed for data assimilation purposes, are increasingly used in regional climate modeling and offer a workaround to this issue. In this context, several questions on the "optimal" use of nudging are still open. In this study we focus on a specific question which is: What variable should we nudge? in order to maintain the consistencies between the regional model and the driving fields as much as possible. For that, a "Big Brother Experiment", where a reference atmospheric state is known, is conducted using the weather research and forecasting (WRF) model over the Euro-Mediterranean region. A set of 22 3-month simulations is performed with different sets of nudged variables and nudging options (no nudging, indiscriminate nudging, spectral nudging) for summer and winter. The results show that nudging clearly improves the model capacity to reproduce the reference fields. However the skill scores depend on the set of variables used to nudge the regional climate simulations. Nudging the tropospheric horizontal wind is by far the key variable to nudge to simulate correctly surface temperature and wind, and rainfall. To a lesser extent, nudging tropospheric temperature also contributes to significantly improve the simulations. Indeed, nudging tropospheric wind or temperature directly impacts the simulation of the tropospheric geopotential height and thus the synoptic scale atmospheric circulation. Nudging moisture improves the precipitation but the impact on the other fields (wind and temperature) is not significant. As an immediate consequence, nudging tropospheric wind, temperature and moisture in WRF gives by far the best results with respect to the Big-Brother simulation. However, we noticed that a residual bias of the geopotential height persists due to a negative surface pressure anomaly which suggests that surface pressure is the missing quantity to nudge. Nudging the geopotential has no discernible effect. Finally, it should be noted that the proposed strategy ensures a dynamical consistency between the driving field and the simulated small-scale field but it does not ensure the best "observed" fine scale field because of the possible impact of incorrect driving large-scale field.

Do Plot Studies Generate “Directionally” Correct Assessments of Field Level Phosphorus Losses?

USDA-ARS?s Scientific Manuscript database

The National P Research Project (NPRP) coordinated a tremendous amount of research at the plot scale to assess the influence of nutrient management on P transport at the fields scale. The objectives of this research were to determine of plot scale rainfall simulations could be used to assess P trans...

Kinetic dissipation and anisotropic heating in a turbulent collisionless plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parashar, T. N.; Shay, M. A.; Cassak, P. A.

The kinetic evolution of the Orszag-Tang vortex is studied using collisionless hybrid simulations. In magnetohydrodynamics (MHD) this configuration leads rapidly to broadband turbulence. At large length scales, the evolution of the hybrid simulations is very similar to MHD, with magnetic power spectra displaying scaling similar to a Kolmogorov scaling of -5/3. At small scales, differences from MHD arise, as energy dissipates into heat almost exclusively through the magnetic field. The magnetic energy spectrum of the hybrid simulation shows a break where linear theory predicts that the Hall term in Ohm's law becomes significant, leading to dispersive kinetic Alfven waves. Amore » key result is that protons are heated preferentially in the plane perpendicular to the mean magnetic field, creating a proton temperature anisotropy of the type observed in the corona and solar wind.« less

Characterization of Sound Radiation by Unresolved Scales of Motion in Computational Aeroacoustics

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Zhou, Ye

1999-01-01

Evaluation of the sound sources in a high Reynolds number turbulent flow requires time-accurate resolution of an extremely large number of scales of motion. Direct numerical simulations will therefore remain infeasible for the forseeable future: although current large eddy simulation methods can resolve the largest scales of motion accurately the, they must leave some scales of motion unresolved. A priori studies show that acoustic power can be underestimated significantly if the contribution of these unresolved scales is simply neglected. In this paper, the problem of evaluating the sound radiation properties of the unresolved, subgrid-scale motions is approached in the spirit of the simplest subgrid stress models: the unresolved velocity field is treated as isotropic turbulence with statistical descriptors, evaluated from the resolved field. The theory of isotropic turbulence is applied to derive formulas for the total power and the power spectral density of the sound radiated by a filtered velocity field. These quantities are compared with the corresponding quantities for the unfiltered field for a range of filter widths and Reynolds numbers.

Development of an Improved Irrigation Subroutine in SWAT to Simulate the Hydrology of Rice Paddy Grown under Submerged Conditions

NASA Astrophysics Data System (ADS)

Muraleedharan, B. V.; Kathirvel, K.; Narasimhan, B.; Nallasamy, N. D.

2014-12-01

Soil Water Assessment Tool (SWAT) is a basin scale, distributed hydrological model commonly used to predict the effect of management decisions on the hydrologic response of watersheds. Hydrologic response is decided by the various components of water balance. In the case of watersheds located in south India as well as in several other tropical countries around the world, paddy is one of the dominant crop controlling the hydrologic response of a watershed. Hence, the suitability of SWAT in replicating the hydrology of paddy fields needs to be verified. Rice paddy fields are subjected to flooding method of irrigation, while the irrigation subroutines in SWAT are developed to simulate crops grown under non flooding conditions. Moreover irrigation is represented well in field scale models, while it is poorly represented within watershed models like SWAT. Reliable simulation of flooding method of irrigation and hydrology of the fields will assist in effective water resources management of rice paddy fields which are one of the major consumers of surface and ground water resources. The current study attempts to modify the irrigation subroutine in SWAT so as to simulate flooded irrigation condition. A field water balance study was conducted on representative fields located within Gadana, a subbasin located in Tamil Nadu (southern part of India) and dominated by rice paddy based irrigation systems. The water balance of irrigated paddy fields simulated with SWAT was compared with the water balance derived by rice paddy based crop growth model named ORYZA. The variation in water levels along with the soil moisture variation predicted by SWAT was evaluated with respect to the estimates derived from ORYZA. The water levels were further validated with field based water balance measurements taken on a daily scale. It was observed that the modified irrigation subroutine was able to simulate irrigation of rice paddy within SWAT in a realistic way compared to the existing method.

Relative distribution of cosmic rays and magnetic fields

NASA Astrophysics Data System (ADS)

Seta, Amit; Shukurov, Anvar; Wood, Toby S.; Bushby, Paul J.; Snodin, Andrew P.

2018-02-01

Synchrotron radiation from cosmic rays is a key observational probe of the galactic magnetic field. Interpreting synchrotron emission data requires knowledge of the cosmic ray number density, which is often assumed to be in energy equipartition (or otherwise tightly correlated) with the magnetic field energy. However, there is no compelling observational or theoretical reason to expect such a tight correlation to hold across all scales. We use test particle simulations, tracing the propagation of charged particles (protons) through a random magnetic field, to study the cosmic ray distribution at scales comparable to the correlation scale of the turbulent flow in the interstellar medium (≃100 pc in spiral galaxies). In these simulations, we find that there is no spatial correlation between the cosmic ray number density and the magnetic field energy density. In fact, their distributions are approximately statistically independent. We find that low-energy cosmic rays can become trapped between magnetic mirrors, whose location depends more on the structure of the field lines than on the field strength.

Formation and Reconnection of Three-dimensional Current Sheets with a Guide Field in the Solar Corona

NASA Astrophysics Data System (ADS)

Edmondson, J. K.; Lynch, B. J.

2017-11-01

We analyze a series of three-dimensional magnetohydrodynamic numerical simulations of magnetic reconnection in a model solar corona to study the effect of the guide-field component on quasi-steady-state interchange reconnection in a pseudostreamer arcade configuration. This work extends the analysis of Edmondson et al. by quantifying the mass density enhancement coherency scale in the current sheet associated with magnetic island formation during the nonlinear phase of plasmoid-unstable reconnection. We compare the results of four simulations of a zero, weak, moderate, and a strong guide field, {B}{GF}/{B}0=\\{0.0,0.1,0.5,1.0\\}, to quantify the plasmoid density enhancement’s longitudinal and transverse coherency scales as a function of the guide-field strength. We derive these coherency scales from autocorrelation and wavelet analyses, and demonstrate how these scales may be used to interpret the density enhancement fluctuation’s Fourier power spectra in terms of a structure formation range, an energy continuation range, and an inertial range—each population with a distinct spectral slope. We discuss the simulation results in the context of solar and heliospheric observations of pseudostreamer solar wind outflow and possible signatures of reconnection-generated structure.

High Fidelity Simulations of Large-Scale Wireless Networks (Plus-Up)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Onunkwo, Uzoma

Sandia has built a strong reputation in scalable network simulation and emulation for cyber security studies to protect our nation’s critical information infrastructures. Georgia Tech has preeminent reputation in academia for excellence in scalable discrete event simulations, with strong emphasis on simulating cyber networks. Many of the experts in this field, such as Dr. Richard Fujimoto, Dr. George Riley, and Dr. Chris Carothers, have strong affiliations with Georgia Tech. The collaborative relationship that we intend to immediately pursue is in high fidelity simulations of practical large-scale wireless networks using ns-3 simulator via Dr. George Riley. This project will have mutualmore » benefits in bolstering both institutions’ expertise and reputation in the field of scalable simulation for cyber-security studies. This project promises to address high fidelity simulations of large-scale wireless networks. This proposed collaboration is directly in line with Georgia Tech’s goals for developing and expanding the Communications Systems Center, the Georgia Tech Broadband Institute, and Georgia Tech Information Security Center along with its yearly Emerging Cyber Threats Report. At Sandia, this work benefits the defense systems and assessment area with promise for large-scale assessment of cyber security needs and vulnerabilities of our nation’s critical cyber infrastructures exposed to wireless communications.« less

Continuum percolation of polydisperse rods in quadrupole fields: Theory and simulations

NASA Astrophysics Data System (ADS)

Finner, Shari P.; Kotsev, Mihail I.; Miller, Mark A.; van der Schoot, Paul

2018-01-01

We investigate percolation in mixtures of nanorods in the presence of external fields that align or disalign the particles with the field axis. Such conditions are found in the formulation and processing of nanocomposites, where the field may be electric, magnetic, or due to elongational flow. Our focus is on the effect of length polydispersity, which—in the absence of a field—is known to produce a percolation threshold that scales with the inverse weight average of the particle length. Using a model of non-interacting spherocylinders in conjunction with connectedness percolation theory, we show that a quadrupolar field always increases the percolation threshold and that the universal scaling with the inverse weight average no longer holds if the field couples to the particle length. Instead, the percolation threshold becomes a function of higher moments of the length distribution, where the order of the relevant moments crucially depends on the strength and type of field applied. The theoretical predictions compare well with the results of our Monte Carlo simulations, which eliminate finite size effects by exploiting the fact that the universal scaling of the wrapping probability function holds even in anisotropic systems. Theory and simulation demonstrate that the percolation threshold of a polydisperse mixture can be lower than that of the individual components, confirming recent work based on a mapping onto a Bethe lattice as well as earlier computer simulations involving dipole fields. Our work shows how the formulation of nanocomposites may be used to compensate for the adverse effects of aligning fields that are inevitable under practical manufacturing conditions.

On the influences of key modelling constants of large eddy simulations for large-scale compartment fires predictions

NASA Astrophysics Data System (ADS)

Yuen, Anthony C. Y.; Yeoh, Guan H.; Timchenko, Victoria; Cheung, Sherman C. P.; Chan, Qing N.; Chen, Timothy

2017-09-01

An in-house large eddy simulation (LES) based fire field model has been developed for large-scale compartment fire simulations. The model incorporates four major components, including subgrid-scale turbulence, combustion, soot and radiation models which are fully coupled. It is designed to simulate the temporal and fluid dynamical effects of turbulent reaction flow for non-premixed diffusion flame. Parametric studies were performed based on a large-scale fire experiment carried out in a 39-m long test hall facility. Several turbulent Prandtl and Schmidt numbers ranging from 0.2 to 0.5, and Smagorinsky constants ranging from 0.18 to 0.23 were investigated. It was found that the temperature and flow field predictions were most accurate with turbulent Prandtl and Schmidt numbers of 0.3, respectively, and a Smagorinsky constant of 0.2 applied. In addition, by utilising a set of numerically verified key modelling parameters, the smoke filling process was successfully captured by the present LES model.

Field Scale Optimization for Long-Term Sustainability of Best Management Practices in Watersheds

NASA Astrophysics Data System (ADS)

Samuels, A.; Babbar-Sebens, M.

2012-12-01

Agricultural and urban land use changes have led to disruption of natural hydrologic processes and impairment of streams and rivers. Multiple previous studies have evaluated Best Management Practices (BMPs) as means for restoring existing hydrologic conditions and reducing impairment of water resources. However, planning of these practices have relied on watershed scale hydrologic models for identifying locations and types of practices at scales much coarser than the actual field scale, where landowners have to plan, design and implement the practices. Field scale hydrologic modeling provides means for identifying relationships between BMP type, spatial location, and the interaction between BMPs at a finer farm/field scale that is usually more relevant to the decision maker (i.e. the landowner). This study focuses on development of a simulation-optimization approach for field-scale planning of BMPs in the School Branch stream system of Eagle Creek Watershed, Indiana, USA. The Agricultural Policy Environmental Extender (APEX) tool is used as the field scale hydrologic model, and a multi-objective optimization algorithm is used to search for optimal alternatives. Multiple climate scenarios downscaled to the watershed-scale are used to test the long term performance of these alternatives and under extreme weather conditions. The effectiveness of these BMPs under multiple weather conditions are included within the simulation-optimization approach as a criteria/goal to assist landowners in identifying sustainable design of practices. The results from these scenarios will further enable efficient BMP planning for current and future usage.

Characterization of naturally occurring radioactive materials in Libyan oil pipe scale using a germanium detector and Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Habib, A. S.; Shutt, A. L.; Regan, P. H.; Matthews, M. C.; Alsulaiti, H.; Bradley, D. A.

2014-02-01

Radioactive scale formation in various oil production facilities is acknowledged to pose a potential significant health and environmental issue. The presence of such an issue in Libyan oil fields was recognized as early as 1998. The naturally occurring radioactive materials (NORM) involved in this matter are radium isotopes (226Ra and 228Ra) and their decay products, precipitating into scales formed on the surfaces of production equipment. A field trip to a number of onshore Libyan oil fields has indicated the existence of elevated levels of specific activity in a number of locations in some of the more mature oil fields. In this study, oil scale samples collected from different parts of Libya have been characterized using gamma spectroscopy through use of a well shielded HPGe spectrometer. To avoid potential alpha-bearing dust inhalation and in accord with safe working practices at this University, the samples, contained in plastic bags and existing in different geometries, are not permitted to be opened. MCNP, a Monte Carlo simulation code, is being used to simulate the spectrometer and the scale samples in order to obtain the system absolute efficiency and then to calculate sample specific activities. The samples are assumed to have uniform densities and homogeneously distributed activity. Present results are compared to two extreme situations that were assumed in a previous study: (i) with the entire activity concentrated at a point on the sample surface proximal to the detector, simulating the sample lowest activity, and; (ii) with the entire activity concentrated at a point on the sample surface distal to the detector, simulating the sample highest activity.

Large-scale derived flood frequency analysis based on continuous simulation

NASA Astrophysics Data System (ADS)

Dung Nguyen, Viet; Hundecha, Yeshewatesfa; Guse, Björn; Vorogushyn, Sergiy; Merz, Bruno

2016-04-01

There is an increasing need for spatially consistent flood risk assessments at the regional scale (several 100.000 km2), in particular in the insurance industry and for national risk reduction strategies. However, most large-scale flood risk assessments are composed of smaller-scale assessments and show spatial inconsistencies. To overcome this deficit, a large-scale flood model composed of a weather generator and catchments models was developed reflecting the spatially inherent heterogeneity. The weather generator is a multisite and multivariate stochastic model capable of generating synthetic meteorological fields (precipitation, temperature, etc.) at daily resolution for the regional scale. These fields respect the observed autocorrelation, spatial correlation and co-variance between the variables. They are used as input into catchment models. A long-term simulation of this combined system enables to derive very long discharge series at many catchment locations serving as a basic for spatially consistent flood risk estimates at the regional scale. This combined model was set up and validated for major river catchments in Germany. The weather generator was trained by 53-year observation data at 528 stations covering not only the complete Germany but also parts of France, Switzerland, Czech Republic and Australia with the aggregated spatial scale of 443,931 km2. 10.000 years of daily meteorological fields for the study area were generated. Likewise, rainfall-runoff simulations with SWIM were performed for the entire Elbe, Rhine, Weser, Donau and Ems catchments. The validation results illustrate a good performance of the combined system, as the simulated flood magnitudes and frequencies agree well with the observed flood data. Based on continuous simulation this model chain is then used to estimate flood quantiles for the whole Germany including upstream headwater catchments in neighbouring countries. This continuous large scale approach overcomes the several drawbacks reported in traditional approaches for the derived flood frequency analysis and therefore is recommended for large scale flood risk case studies.

MAGNETOHYDRODYNAMIC SIMULATION-DRIVEN KINEMATIC MEAN FIELD MODEL OF THE SOLAR CYCLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simard, Corinne; Charbonneau, Paul; Bouchat, Amelie, E-mail: corinne@astro.umontreal.ca, E-mail: paulchar@astro.umontreal.ca, E-mail: amelie.bouchat@mail.mcgill.ca

We construct a series of kinematic axisymmetric mean-field dynamo models operating in the {alpha}{Omega}, {alpha}{sup 2}{Omega} and {alpha}{sup 2} regimes, all using the full {alpha}-tensor extracted from a global magnetohydrodynamical simulation of solar convection producing large-scale magnetic fields undergoing solar-like cyclic polarity reversals. We also include an internal differential rotation profile produced in a purely hydrodynamical parent simulation of solar convection, and a simple meridional flow profile described by a single cell per meridional quadrant. An {alpha}{sup 2}{Omega} mean-field model, presumably closest to the mode of dynamo action characterizing the MHD simulation, produces a spatiotemporal evolution of magnetic fields thatmore » share some striking similarities with the zonally-averaged toroidal component extracted from the simulation. Comparison with {alpha}{sup 2} and {alpha}{Omega} mean-field models operating in the same parameter regimes indicates that much of the complexity observed in the spatiotemporal evolution of the large-scale magnetic field in the simulation can be traced to the turbulent electromotive force. Oscillating {alpha}{sup 2} solutions are readily produced, and show some similarities with the observed solar cycle, including a deep-seated toroidal component concentrated at low latitudes and migrating equatorward in the course of the solar cycle. Various numerical experiments performed using the mean-field models reveal that turbulent pumping plays an important role in setting the global characteristics of the magnetic cycles.« less

Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose Iâ

Treesearch

Fernando L. Dri; Xiawa Wu; Robert J. Moon; Ashlie Martini; Pablo D. Zavattieri

2015-01-01

Molecular dynamics simulation is commonly used to study the properties of nanocellulose-based materials at the atomic scale. It is well known that the accuracy of these simulations strongly depends on the force field that describes energetic interactions. However, since there is no force field developed specifically for cellulose, researchers utilize models...

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE PAGES

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

2015-12-07

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

Plasmon response evaluation based on image-derived arbitrary nanostructures.

PubMed

Trautmann, S; Richard-Lacroix, M; Dathe, A; Schneidewind, H; Dellith, J; Fritzsche, W; Deckert, V

2018-05-31

The optical response of realistic 3D plasmonic substrates composed of randomly shaped particles of different size and interparticle distance distributions in addition to nanometer scale surface roughness is intrinsically challenging to simulate due to computational limitations. Here, we present a Finite Element Method (FEM)-based methodology that bridges in-depth theoretical investigations and experimental optical response of plasmonic substrates composed of such silver nanoparticles. Parametrized scanning electron microscopy (SEM) images of surface enhanced Raman spectroscopy (SERS) active substrate and tip-enhanced Raman spectroscopy (TERS) probes are used to simulate the far-and near-field optical response. Far-field calculations are consistent with experimental dark field spectra and charge distribution images reveal for the first time in arbitrary structures the contributions of interparticle hybridized modes such as sub-radiant and super-radiant modes that also locally organize as basic units for Fano resonances. Near-field simulations expose the spatial position-dependent impact of hybridization on field enhancement. Simulations of representative sections of TERS tips are shown to exhibit the same unexpected coupling modes. Near-field simulations suggest that these modes can contribute up to 50% of the amplitude of the plasmon resonance at the tip apex but, interestingly, have a small effect on its frequency in the visible range. The band position is shown to be extremely sensitive to particle nanoscale roughness, highlighting the necessity to preserve detailed information at both the largest and the smallest scales. To the best of our knowledge, no currently available method enables reaching such a detailed description of large scale realistic 3D plasmonic systems.

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE PAGES

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James; ...

2017-09-21

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Vortex pairing and reverse cascade in a simulated two-dimensional rocket motor-like flow field

NASA Astrophysics Data System (ADS)

Chakravarthy, Kalyana; Chakraborty, Debasis

2017-07-01

Two-dimensional large eddy simulation of a flow experiment intended for studying and understanding transition and parietal vortex shedding has brought to light some interesting features that have never been seen in previous similar simulations and have implications for future computational work on combustion instabilities in rocket motors. The frequency spectrum of pressure at head end shows a peak at the expected value associated with parietal vortex shedding but an additional peak at half this frequency emerges at downstream location. Using vorticity spectra at various distances away from the wall, it is shown that the frequency halving is due to vortex pairing as hypothesized by Dunlap et al. ["Internal flow field studies in a simulated cylindrical port rocket chamber," J. Propul. Power 6(6), 690-704 (1990)] for a similar experiment. As the flow transitions to turbulence towards the nozzle end, inertial range with Kolmogorov scaling becomes evident in the velocity spectrum. Given that the simulation is two-dimensional, such a scaling could be associated with a reverse energy cascade as per Kraichnan-Leith-Bachelor theory. By filtering the simulated flow field and identifying where the energy backscatters into the filtered scales, the regions with a reverse cascade are identified. The implications of this finding on combustion modeling are discussed.

Field-scale and wellbore modeling of compaction-induced casing failures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hilbert, L.B. Jr.; Gwinn, R.L.; Moroney, T.A.

1999-06-01

Presented in this paper are the results and verification of field- and wellbore-scale large deformation, elasto-plastic, geomechanical finite element models of reservoir compaction and associated casing damage. The models were developed as part of a multidisciplinary team project to reduce the number of costly well failures in the diatomite reservoir of the South Belridge Field near Bakersfield, California. Reservoir compaction of high porosity diatomite rock induces localized shearing deformations on horizontal weak-rock layers and geologic unconformities. The localized shearing deformations result in casing damage or failure. Two-dimensional, field-scale finite element models were used to develop relationships between field operations, surfacemore » subsidence, and shear-induced casing damage. Pore pressures were computed for eighteen years of simulated production and water injection, using a three-dimensional reservoir simulator. The pore pressures were input to the two-dimensional geomechanical field-scale model. Frictional contact surfaces were used to model localized shear deformations. To capture the complex casing-cement-rock interaction that governs casing damage and failure, three-dimensional models of a wellbore were constructed, including a frictional sliding surface to model localized shear deformation. Calculations were compared to field data for verification of the models.« less

A functional relation for field-scale nonaqueous phase liquid dissolution developed using a pore network model

USGS Publications Warehouse

Dillard, L.A.; Essaid, H.I.; Blunt, M.J.

2001-01-01

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, Kdissai, and NAPL/water total specific interfacial area, ai. Kdissai was computed as a function of modified Peclet number (Pe???) for various NAPL saturations (SN) and ai during drainage and imbibition and during dissolution without displacement. The largest contributor to ai was the interfacial area in the water-filled corners of chambers and tubes containing NAPL. When Kdissai was divided by ai, the resulting curves of dissolution coefficient, Kdiss versus Pe??? suggested that an approximate value of Kdiss could be obtained as a weak function of hysteresis or SN. Spatially and temporally variable maps of Kdissai calculated using the network model were used in field-scale simulations of NAPL dissolution. These simulations were compared to simulations using a constant value of Kdissai and the empirical correlation of Powers et al. [Water Resour. Res. 30(2) (1994b) 321]. Overall, a methodology was developed for incorporating pore-scale processes into field-scale prediction of NAPL dissolution. Copyright ?? 2001 .

Energy transfers in large-scale and small-scale dynamos

NASA Astrophysics Data System (ADS)

Samtaney, Ravi; Kumar, Rohit; Verma, Mahendra

2015-11-01

We present the energy transfers, mainly energy fluxes and shell-to-shell energy transfers in small-scale dynamo (SSD) and large-scale dynamo (LSD) using numerical simulations of MHD turbulence for Pm = 20 (SSD) and for Pm = 0.2 on 10243 grid. For SSD, we demonstrate that the magnetic energy growth is caused by nonlocal energy transfers from the large-scale or forcing-scale velocity field to small-scale magnetic field. The peak of these energy transfers move towards lower wavenumbers as dynamo evolves, which is the reason for the growth of the magnetic fields at the large scales. The energy transfers U2U (velocity to velocity) and B2B (magnetic to magnetic) are forward and local. For LSD, we show that the magnetic energy growth takes place via energy transfers from large-scale velocity field to large-scale magnetic field. We observe forward U2U and B2B energy flux, similar to SSD.

Results of Small-scale Solid Rocket Combustion Simulator testing at Marshall Space Flight Center

NASA Technical Reports Server (NTRS)

Goldberg, Benjamin E.; Cook, Jerry

1993-01-01

The Small-scale Solid Rocket Combustion Simulator (SSRCS) program was established at the Marshall Space Flight Center (MSFC), and used a government/industry team consisting of Hercules Aerospace Corporation, Aerotherm Corporation, United Technology Chemical Systems Division, Thiokol Corporation and MSFC personnel to study the feasibility of simulating the combustion species, temperatures and flow fields of a conventional solid rocket motor (SRM) with a versatile simulator system. The SSRCS design is based on hybrid rocket motor principles. The simulator uses a solid fuel and a gaseous oxidizer. Verification of the feasibility of a SSRCS system as a test bed was completed using flow field and system analyses, as well as empirical test data. A total of 27 hot firings of a subscale SSRCS motor were conducted at MSFC. Testing of the Small-scale SSRCS program was completed in October 1992. This paper, a compilation of reports from the above team members and additional analysis of the instrumentation results, will discuss the final results of the analyses and test programs.

RANS Simulation (Virtual Blade Model [VBM]) of Single Full Scale DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Aliseda, Alberto

2013-04-10

Attached are the .cas and .dat files along with the required User Defined Functions (UDFs) and look-up table of lift and drag coefficients for Reynolds Averaged Navier-Stokes (RANS) simulation of a single full scale DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. In this case study the flow field around and in the wake of the full scale DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device.

Particle-in-cell simulation study of the scaling of asymmetric magnetic reconnection with in-plane flow shear

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doss, C. E.; Cassak, P. A., E-mail: Paul.Cassak@mail.wvu.edu; Swisdak, M.

2016-08-15

We investigate magnetic reconnection in systems simultaneously containing asymmetric (anti-parallel) magnetic fields, asymmetric plasma densities and temperatures, and arbitrary in-plane bulk flow of plasma in the upstream regions. Such configurations are common in the high-latitudes of Earth's magnetopause and in tokamaks. We investigate the convection speed of the X-line, the scaling of the reconnection rate, and the condition for which the flow suppresses reconnection as a function of upstream flow speeds. We use two-dimensional particle-in-cell simulations to capture the mixing of plasma in the outflow regions better than is possible in fluid modeling. We perform simulations with asymmetric magnetic fields,more » simulations with asymmetric densities, and simulations with magnetopause-like parameters where both are asymmetric. For flow speeds below the predicted cutoff velocity, we find good scaling agreement with the theory presented in Doss et al. [J. Geophys. Res. 120, 7748 (2015)]. Applications to planetary magnetospheres, tokamaks, and the solar wind are discussed.« less

NUMERICAL SIMULATIONS OF CORONAL HEATING THROUGH FOOTPOINT BRAIDING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansteen, V.; Pontieu, B. De; Carlsson, M.

2015-10-01

Advanced three-dimensional (3D) radiative MHD simulations now reproduce many properties of the outer solar atmosphere. When including a domain from the convection zone into the corona, a hot chromosphere and corona are self-consistently maintained. Here we study two realistic models, with different simulated areas, magnetic field strength and topology, and numerical resolution. These are compared in order to characterize the heating in the 3D-MHD simulations which self-consistently maintains the structure of the atmosphere. We analyze the heating at both large and small scales and find that heating is episodic and highly structured in space, but occurs along loop-shaped structures, andmore » moves along with the magnetic field. On large scales we find that the heating per particle is maximal near the transition region and that widely distributed opposite-polarity field in the photosphere leads to a greater heating scale height in the corona. On smaller scales, heating is concentrated in current sheets, the thicknesses of which are set by the numerical resolution. Some current sheets fragment in time, this process occurring more readily in the higher-resolution model leading to spatially highly intermittent heating. The large-scale heating structures are found to fade in less than about five minutes, while the smaller, local, heating shows timescales of the order of two minutes in one model and one minutes in the other, higher-resolution, model.« less

Multiscale Analysis of Rapidly Rotating Dynamo Simulations

NASA Astrophysics Data System (ADS)

Orvedahl, R.; Calkins, M. A.; Featherstone, N. A.

2017-12-01

The magnetic field of the planets and stars are generated by dynamo action in their electrically conducting fluid interiors. Numerical models of this process solve the fundamental equations of magnetohydrodynamics driven by convection in a rotating spherical shell. Rotation plays an important role in modifying the resulting convective flows and the self-generated magnetic field. We present results of simulating rapidly rotating systems that are unstable to dynamo action. We use the pseudo-spectral code Rayleigh to generate a suite of direct numerical simulations. Each simulation uses the Boussinesq approximation and is characterized by an Ekman number (Ek=ν /Ω L2) of 10-5. We vary the degree of convective forcing to obtain a range of convective Rossby numbers. The resulting flows and magnetic structures are analyzed using a Reynolds decomposition. We determine the relative importance of each term in the scale-separated governing equations and estimate the relevant spatial scales responsible for generating the mean magnetic field.

Regional-scale integration of hydrological and geophysical data using Bayesian sequential simulation: application to field data

NASA Astrophysics Data System (ADS)

Ruggeri, Paolo; Irving, James; Gloaguen, Erwan; Holliger, Klaus

2013-04-01

Significant progress has been made with regard to the quantitative integration of geophysical and hydrological data at the local scale. However, extending corresponding approaches to the regional scale still represents a major challenge, yet is critically important for the development of groundwater flow and contaminant transport models. To address this issue, we have developed a regional-scale hydrogeophysical data integration technique based on a two-step Bayesian sequential simulation procedure. The objective is to simulate the regional-scale distribution of a hydraulic parameter based on spatially exhaustive, but poorly resolved, measurements of a pertinent geophysical parameter and locally highly resolved, but spatially sparse, measurements of the considered geophysical and hydraulic parameters. To this end, our approach first involves linking the low- and high-resolution geophysical data via a downscaling procedure before relating the downscaled regional-scale geophysical data to the high-resolution hydraulic parameter field. We present the application of this methodology to a pertinent field scenario, where we consider collocated high-resolution measurements of the electrical conductivity, measured using a cone penetrometer testing (CPT) system, and the hydraulic conductivity, estimated from EM flowmeter and slug test measurements, in combination with low-resolution exhaustive electrical conductivity estimates obtained from dipole-dipole ERT meausurements.

SIMULATED IMPACTS OF SMALL-SCALE SPATIAL DISTRIBUTION OF IMPERVIOUS AREA ON RUNOFF RESPONSE OF FIELD-SCALE CATCHMENTS

EPA Science Inventory

Impervious surface is known to negatively affect catchment hydrology through both its extent and spatial distribution. In this study, we empirically quantify via model simulations the impacts of different configurations of impervious surface on watershed response to rainfall. An ...

Application of large-scale, multi-resolution watershed modeling framework using the Hydrologic and Water Quality System (HAWQS)

USDA-ARS?s Scientific Manuscript database

In recent years, large-scale watershed modeling has been implemented broadly in the field of water resources planning and management. Complex hydrological, sediment, and nutrient processes can be simulated by sophisticated watershed simulation models for important issues such as water resources all...

Low-Frequency Oscillations and Transport Processes Induced by Multiscale Transverse Structures in the Polar Wind Outflow: A Three-Dimensional Simulation

NASA Technical Reports Server (NTRS)

Ganguli, Supriya B.; Gavrishchaka, Valeriy V.

1999-01-01

Multiscale transverse structures in the magnetic-field-aligned flows have been frequently observed in the auroral region by FAST and Freja satellites. A number of multiscale processes, such as broadband low-frequency oscillations and various cross-field transport effects are well correlated with these structures. To study these effects, we have used our three-dimensional multifluid model with multiscale transverse inhomogeneities in the initial velocity profile. Self-consistent-frequency mode driven by local transverse gradients in the generation of the low field-aligned ion flow and associated transport processes were simulated. Effects of particle interaction with the self-consistent time-dependent three-dimensional wave potential have been modeled using a distribution of test particles. For typical polar wind conditions it has been found that even large-scale (approximately 50 - 100 km) transverse inhomogeneities in the flow can generate low-frequency oscillations that lead to significant flow modifications, cross-field particle diffusion, and other transport effects. It has also been shown that even small-amplitude (approximately 10 - 20%) short-scale (approximately 10 km) modulations of the original large-scale flow profile significantly increases low-frequency mode generation and associated cross-field transport, not only at the local spatial scales imposed by the modulations but also on global scales. Note that this wave-induced cross-field transport is not included in any of the global numerical models of the ionosphere, ionosphere-thermosphere, or ionosphere-polar wind. The simulation results indicate that the wave-induced cross-field transport not only affects the ion outflow rates but also leads to a significant broadening of particle phase-space distribution and transverse particle diffusion.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

Scaling of Guide-Field Magnetic Reconnection using Anisotropic Fluid Closure

NASA Astrophysics Data System (ADS)

Ohia, O.; Egedal, J.; Lukin, V. S.; Daughton, W.; Le, A.

2012-10-01

Collisionless magnetic reconnection, a process linked to solar flares, coronal mass ejections, and magnetic substorms, has been widely studied through fluid models and fully kinetic simulations. While fluid models often reproduce the fast reconnection rate of fully kinetic simulations, significant differences are observed in the structure of the reconnection regions [1]. However, guide-field fluid simulations implementing new equations of state that accurately account for the anisotropic electron pressure [2] reproduce the detailed reconnection region observed in kinetic simulations [3]. Implementing this two-fluid simulation using the HiFi framework [4], we study the force balance of the electron layers in guide-field reconnection and derive scaling laws for their characteristics.[1ex] [1] Daughton W et al., Phys. Plasmas 13, 072101 (2006).[0ex] [2] Le A et al., Phys. Rev. Lett. 102, 085001 (2009). [0ex] [3] Ohia O, et al., Phys. Rev. Lett. In Press (2012).[0ex] [4] Lukin VS, Linton MG, Nonlinear Proc. Geoph. 18, 871 (2011)

On magnetic field amplification and particle acceleration near non-relativistic astrophysical shocks: particles in MHD cells simulations

NASA Astrophysics Data System (ADS)

van Marle, Allard Jan; Casse, Fabien; Marcowith, Alexandre

2018-01-01

We present simulations of magnetized astrophysical shocks taking into account the interplay between the thermal plasma of the shock and suprathermal particles. Such interaction is depicted by combining a grid-based magnetohydrodynamics description of the thermal fluid with particle in cell techniques devoted to the dynamics of suprathermal particles. This approach, which incorporates the use of adaptive mesh refinement features, is potentially a key to simulate astrophysical systems on spatial scales that are beyond the reach of pure particle-in-cell simulations. We consider in this study non-relativistic shocks with various Alfvénic Mach numbers and magnetic field obliquity. We recover all the features of both magnetic field amplification and particle acceleration from previous studies when the magnetic field is parallel to the normal to the shock. In contrast with previous particle-in-cell-hybrid simulations, we find that particle acceleration and magnetic field amplification also occur when the magnetic field is oblique to the normal to the shock but on larger time-scales than in the parallel case. We show that in our simulations, the suprathermal particles are experiencing acceleration thanks to a pre-heating process of the particle similar to a shock drift acceleration leading to the corrugation of the shock front. Such oscillations of the shock front and the magnetic field locally help the particles to enter the upstream region and to initiate a non-resonant streaming instability and finally to induce diffuse particle acceleration.

The role of large scale motions on passive scalar transport

NASA Astrophysics Data System (ADS)

Dharmarathne, Suranga; Araya, Guillermo; Tutkun, Murat; Leonardi, Stefano; Castillo, Luciano

2014-11-01

We study direct numerical simulation (DNS) of turbulent channel flow at Reτ = 394 to investigate effect of large scale motions on fluctuating temperature field which forms a passive scalar field. Statistical description of the large scale features of the turbulent channel flow is obtained using two-point correlations of velocity components. Two-point correlations of fluctuating temperature field is also examined in order to identify possible similarities between velocity and temperature fields. The two-point cross-correlations betwen the velocity and temperature fluctuations are further analyzed to establish connections between these two fields. In addition, we use proper orhtogonal decompotion (POD) to extract most dominant modes of the fields and discuss the coupling of large scale features of turbulence and the temperature field.

Spatial adaptive sampling in multiscale simulation

NASA Astrophysics Data System (ADS)

Rouet-Leduc, Bertrand; Barros, Kipton; Cieren, Emmanuel; Elango, Venmugil; Junghans, Christoph; Lookman, Turab; Mohd-Yusof, Jamaludin; Pavel, Robert S.; Rivera, Axel Y.; Roehm, Dominic; McPherson, Allen L.; Germann, Timothy C.

2014-07-01

In a common approach to multiscale simulation, an incomplete set of macroscale equations must be supplemented with constitutive data provided by fine-scale simulation. Collecting statistics from these fine-scale simulations is typically the overwhelming computational cost. We reduce this cost by interpolating the results of fine-scale simulation over the spatial domain of the macro-solver. Unlike previous adaptive sampling strategies, we do not interpolate on the potentially very high dimensional space of inputs to the fine-scale simulation. Our approach is local in space and time, avoids the need for a central database, and is designed to parallelize well on large computer clusters. To demonstrate our method, we simulate one-dimensional elastodynamic shock propagation using the Heterogeneous Multiscale Method (HMM); we find that spatial adaptive sampling requires only ≈ 50 ×N0.14 fine-scale simulations to reconstruct the stress field at all N grid points. Related multiscale approaches, such as Equation Free methods, may also benefit from spatial adaptive sampling.

Fluid simulations of plasma turbulence at ion scales: Comparison with Vlasov-Maxwell simulations

NASA Astrophysics Data System (ADS)

Perrone, D.; Passot, T.; Laveder, D.; Valentini, F.; Sulem, P. L.; Zouganelis, I.; Veltri, P.; Servidio, S.

2018-05-01

Comparisons are presented between a hybrid Vlasov-Maxwell (HVM) simulation of turbulence in a collisionless plasma and fluid reductions. These include Hall-magnetohydrodynamics (HMHD) and Landau fluid (LF) or finite Larmor radius-Landau fluid (FLR-LF) models that retain pressure anisotropy and low-frequency kinetic effects such as Landau damping and, for the last model, finite Larmor radius (FLR) corrections. The problem is considered in two space dimensions, when initial conditions involve moderate-amplitude perturbations of a homogeneous equilibrium plasma subject to an out-of-plane magnetic field. LF turns out to provide an accurate description of the velocity field up to the ion Larmor radius scale, and even to smaller scales for the magnetic field. Compressibility nevertheless appears significantly larger at the sub-ion scales in the fluid models than in the HVM simulation. High frequency kinetic effects, such as cyclotron resonances, not retained by fluid descriptions, could be at the origin of this discrepancy. A significant temperature anisotropy is generated, with a bias towards the perpendicular component, the more intense fluctuations being rather spread out and located in a broad vicinity of current sheets. Non-gyrotropic pressure tensor components are measured and are shown to reach a significant fraction of the total pressure fluctuations, with intense regions closely correlated with current sheets.

A small-scale dynamo in feedback-dominated galaxies - III. Cosmological simulations

NASA Astrophysics Data System (ADS)

Rieder, Michael; Teyssier, Romain

2017-12-01

Magnetic fields are widely observed in the Universe in virtually all astrophysical objects, from individual stars to entire galaxies, even in the intergalactic medium, but their specific genesis has long been debated. Due to the development of more realistic models of galaxy formation, viable scenarios are emerging to explain cosmic magnetism, thanks to both deeper observations and more efficient and accurate computer simulations. We present here a new cosmological high-resolution zoom-in magnetohydrodynamic (MHD) simulation, using the adaptive mesh refinement technique, of a dwarf galaxy with an initially weak and uniform magnetic seed field that is amplified by a small-scale dynamo (SSD) driven by supernova-induced turbulence. As first structures form from the gravitational collapse of small density fluctuations, the frozen-in magnetic field separates from the cosmic expansion and grows through compression. In a second step, star formation sets in and establishes a strong galactic fountain, self-regulated by supernova explosions. Inside the galaxy, the interstellar medium becomes highly turbulent, dominated by strong supersonic shocks, as demonstrated by the spectral analysis of the gas kinetic energy. In this turbulent environment, the magnetic field is quickly amplified via a SSD process and is finally carried out into the circumgalactic medium by a galactic wind. This realistic cosmological simulation explains how initially weak magnetic seed fields can be amplified quickly in early, feedback-dominated galaxies, and predicts, as a consequence of the SSD process, that high-redshift magnetic fields are likely to be dominated by their small-scale components.

Development of a large-scale, outdoor, ground-based test capability for evaluating the effect of rain on airfoil lift

NASA Technical Reports Server (NTRS)

Bezos, Gaudy M.; Campbell, Bryan A.

1993-01-01

A large-scale, outdoor, ground-based test capability for acquiring aerodynamic data in a simulated rain environment was developed at the Langley Aircraft Landing Dynamics Facility (ALDF) to assess the effect of heavy rain on airfoil performance. The ALDF test carriage was modified to transport a 10-ft-chord NACA 64210 wing section along a 3000-ft track at full-scale aircraft approach speeds. An overhead rain simulation system was constructed along a 525-ft section of the track with the capability of producing simulated rain fields of 2, 10, 30, and 40 in/hr. The facility modifications, the aerodynamic testing and rain simulation capability, the design and calibration of the rain simulation system, and the operational procedures developed to minimize the effect of wind on the simulated rain field and aerodynamic data are described in detail. The data acquisition and reduction processes are also presented along with sample force data illustrating the environmental effects on data accuracy and repeatability for the 'rain-off' test condition.

Simulation of wave propagation in three-dimensional random media

NASA Technical Reports Server (NTRS)

Coles, William A.; Filice, J. P.; Frehlich, R. G.; Yadlowsky, M.

1993-01-01

Quantitative error analysis for simulation of wave propagation in three dimensional random media assuming narrow angular scattering are presented for the plane wave and spherical wave geometry. This includes the errors resulting from finite grid size, finite simulation dimensions, and the separation of the two-dimensional screens along the propagation direction. Simple error scalings are determined for power-law spectra of the random refractive index of the media. The effects of a finite inner scale are also considered. The spatial spectra of the intensity errors are calculated and compared to the spatial spectra of intensity. The numerical requirements for a simulation of given accuracy are determined for realizations of the field. The numerical requirements for accurate estimation of higher moments of the field are less stringent.

Domain walls in the extensions of the Standard Model

NASA Astrophysics Data System (ADS)

Krajewski, Tomasz; Lalak, Zygmunt; Lewicki, Marek; Olszewski, Paweł

2018-05-01

Our main interest is the evolution of domain walls of the Higgs field in the early Universe. The aim of this paper is to understand how dynamics of Higgs domain walls could be influenced by yet unknown interactions from beyond the Standard Model. We assume that the Standard Model is valid up to certain, high, energy scale Λ and use the framework of the effective field theory to describe physics below that scale. Performing numerical simulations with different values of the scale Λ we are able to extend our previous analysis [1]. Our recent numerical simulations show that evolution of Higgs domain walls is rather insensitive to interactions beyond the Standard Model as long as masses of new particles are grater than 1012 GeV. For lower values of Λ the RG improved effective potential is strongly modified at field strengths crucial to the evolution of domain walls. However, we find that even for low values of Λ, Higgs domain walls decayed shortly after their formation for generic initial conditions. On the other hand, in simulations with specifically chosen initial conditions Higgs domain walls can live longer and enter the scaling regime. We also determine the energy spectrum of gravitational waves produced by decaying domain walls of the Higgs field. For generic initial field configurations the amplitude of the signal is too small to be observed in planned detectors.

Modifiying shallow-water equations as a model for wave-vortex turbulence

NASA Astrophysics Data System (ADS)

Mohanan, A. V.; Augier, P.; Lindborg, E.

2017-12-01

The one-layer shallow-water equations is a simple two-dimensional model to study the complex dynamics of the oceans and the atmosphere. We carry out forced-dissipative numerical simulations, either by forcing medium-scale wave modes, or by injecting available potential energy (APE). With pure wave forcing in non-rotating cases, a statistically stationary regime is obtained for a range of forcing Froude numbers Ff = ɛ /(kf c), where ɛ is the energy dissipation rate, kf the forcing wavenumber and c the wave speed. Interestingly, the spectra scale as k-2 and third and higher order structure functions scale as r. Such statistics is a manifestation of shock turbulence or Burgulence, which dominate the flow. Rotating cases exhibit some inverse energy cascade, along with a stronger forward energy cascade, dominated by wave-wave interactions. We also propose two modifications to the classical shallow-water equations to construct a toy model. The properties of the model are explored by forcing in APE at a small and a medium wavenumber. The toy model simulations are then compared with results from shallow-water equations and a full General Circulation Model (GCM) simulation. The most distinctive feature of this model is that, unlike shallow-water equations, it avoids shocks and conserves quadratic energy. In Fig. 1, for the shallow-water equations, shocks appear as thin dark lines in the divergence (∇ .{u}) field, and as discontinuities in potential temperature (θ ) field; whereas only waves appear in the corresponding fields from toy model simulation. Forward energy cascade results in a wave field with k-5/3 spectrum, along with equipartition of KE and APE at small scales. The vortical field develops into a k-3 spectrum. With medium forcing wavenumber, at large scales, energy converted from APE to KE undergoes inverse cascade as a result of nonlinear fluxes composed of vortical modes alone. Gradually, coherent vortices emerge with a strong preference for anticyclonic motion. The model can serve as a closer representation of real geophysical turbulence than the classical shallow-water equations. Fig 1. Divergence and potential temperature fields of shallow-water (top row) and toy model (bottom row) simulations.

Scale-Resolving simulations (SRS): How much resolution do we really need?

NASA Astrophysics Data System (ADS)

Pereira, Filipe M. S.; Girimaji, Sharath

2017-11-01

Scale-resolving simulations (SRS) are emerging as the computational approach of choice for many engineering flows with coherent structures. The SRS methods seek to resolve only the most important features of the coherent structures and model the remainder of the flow field with canonical closures. With reference to a typical Large-Eddy Simulation (LES), practical SRS methods aim to resolve a considerably narrower range of scales (reduced physical resolution) to achieve an adequate degree of accuracy at reasonable computational effort. While the objective of SRS is well-founded, the criteria for establishing the optimal degree of resolution required to achieve an acceptable level of accuracy are not clear. This study considers the canonical case of the flow around a circular cylinder to address the issue of `optimal' resolution. Two important criteria are developed. The first condition addresses the issue of adequate resolution of the flow field. The second guideline provides an assessment of whether the modeled field is canonical (stochastic) turbulence amenable to closure-based computations.

Numerical evaluation of the scale problem on the wind flow of a windbreak

PubMed Central

Liu, Benli; Qu, Jianjun; Zhang, Weimin; Tan, Lihai; Gao, Yanhong

2014-01-01

The airflow field around wind fences with different porosities, which are important in determining the efficiency of fences as a windbreak, is typically studied via scaled wind tunnel experiments and numerical simulations. However, the scale problem in wind tunnels or numerical models is rarely researched. In this study, we perform a numerical comparison between a scaled wind-fence experimental model and an actual-sized fence via computational fluid dynamics simulations. The results show that although the general field pattern can be captured in a reduced-scale wind tunnel or numerical model, several flow characteristics near obstacles are not proportional to the size of the model and thus cannot be extrapolated directly. For example, the small vortex behind a low-porosity fence with a scale of 1:50 is approximately 4 times larger than that behind a full-scale fence. PMID:25311174

Multiscale numerical simulations of magnetoconvection at low magnetic Prandtl and Rossby numbers.

NASA Astrophysics Data System (ADS)

Maffei, S.; Calkins, M. A.; Julien, K. A.; Marti, P.

2017-12-01

The dynamics of the Earth's outer core is characterized by low values of the Rossby (Ro), Ekman and magnetic Prandtl numbers. These values indicate the large spectra of temporal and spatial scales that need to be accounted for in realistic numerical simulations of the system. Current direct numerical simulation are not capable of reaching this extreme regime, suggesting that a new class of models is required to account for the rich dynamics expected in the natural system. Here we present results from a quasi-geostrophic, multiscale model based on the scale separation implied by the low Ro typical of rapidly rotating systems. We investigate a plane layer geometry where convection is driven by an imposed temperature gradient and the hydrodynamic equations are modified by a large scale magnetic field. Analytical investigation shows that at values of thermal and magnetic Prandtl numbers relevant for liquid metals, the energetic requirements for the onset of convection is not significantly altered even in the presence of strong magnetic fields. Results from strongly forced nonlinear numerical simulations show the presence of an inverse cascade, typical of 2-D turbulence, when no or weak magnetic field is applied. For higher values of the magnetic field the inverse cascade is quenched.

Detecting vortices in superconductors: Extracting one-dimensional topological singularities from a discretized complex scalar field

DOE PAGES

Phillips, Carolyn L.; Peterka, Tom; Karpeyev, Dmitry; ...

2015-02-20

In type II superconductors, the dynamics of superconducting vortices determine their transport properties. In the Ginzburg-Landau theory, vortices correspond to topological defects in the complex order parameter. Extracting their precise positions and motion from discretized numerical simulation data is an important, but challenging, task. In the past, vortices have mostly been detected by analyzing the magnitude of the complex scalar field representing the order parameter and visualized by corresponding contour plots and isosurfaces. However, these methods, primarily used for small-scale simulations, blur the fine details of the vortices, scale poorly to large-scale simulations, and do not easily enable isolating andmore » tracking individual vortices. In this paper, we present a method for exactly finding the vortex core lines from a complex order parameter field. With this method, vortices can be easily described at a resolution even finer than the mesh itself. The precise determination of the vortex cores allows the interplay of the vortices inside a model superconductor to be visualized in higher resolution than has previously been possible. Finally, by representing the field as the set of vortices, this method also massively reduces the data footprint of the simulations and provides the data structures for further analysis and feature tracking.« less

Mirror Instability in the Turbulent Solar Wind

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hellinger, Petr; Landi, Simone; Verdini, Andrea

2017-04-01

The relationship between a decaying strong turbulence and the mirror instability in a slowly expanding plasma is investigated using two-dimensional hybrid expanding box simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we start with a spectrum of large-scale, linearly polarized, random-phase Alfvénic fluctuations that have energy equipartition between kinetic and magnetic fluctuations and a vanishing correlation between the two fields. A turbulent cascade rapidly develops, magnetic field fluctuations exhibit a Kolmogorov-like power-law spectrum at large scales and a steeper spectrum at sub-ion scales. The imposed expansion (taking a strictly transverse ambient magnetic field) leadsmore » to the generation of an important perpendicular proton temperature anisotropy that eventually drives the mirror instability. This instability generates large-amplitude, nonpropagating, compressible, pressure-balanced magnetic structures in a form of magnetic enhancements/humps that reduce the perpendicular temperature anisotropy.« less

Off-equilibrium infrared structure of self-interacting scalar fields: Universal scaling, vortex-antivortex superfluid dynamics, and Bose-Einstein condensation

NASA Astrophysics Data System (ADS)

Deng, Jian; Schlichting, Soeren; Venugopalan, Raju; Wang, Qun

2018-05-01

We map the infrared dynamics of a relativistic single-component (N =1 ) interacting scalar field theory to that of nonrelativistic complex scalar fields. The Gross-Pitaevskii (GP) equation, describing the real-time dynamics of single-component ultracold Bose gases, is obtained at first nontrivial order in an expansion proportional to the powers of λ ϕ2/m2 where λ , ϕ , and m are the coupling constant, the scalar field, and the particle mass respectively. Our analytical studies are corroborated by numerical simulations of the spatial and momentum structure of overoccupied scalar fields in (2+1)-dimensions. Universal scaling of infrared modes, vortex-antivortex superfluid dynamics, and the off-equilibrium formation of a Bose-Einstein condensate are observed. Our results for the universal scaling exponents are in agreement with those extracted in the numerical simulations of the GP equation. As in these simulations, we observe coarsening phase kinetics in the Bose superfluid with strongly anomalous scaling exponents relative to that of vertex resummed kinetic theory. Our relativistic field theory framework further allows one to study more closely the coupling between superfluid and normal fluid modes, specifically the turbulent momentum and spatial structure of the coupling between a quasiparticle cascade to the infrared and an energy cascade to the ultraviolet. We outline possible applications of the formalism to the dynamics of vortex-antivortex formation and to the off-equilibrium dynamics of the strongly interacting matter formed in heavy-ion collisions.

MEAN-FIELD MODELING OF AN α{sup 2} DYNAMO COUPLED WITH DIRECT NUMERICAL SIMULATIONS OF RIGIDLY ROTATING CONVECTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Masada, Youhei; Sano, Takayoshi, E-mail: ymasada@harbor.kobe-u.ac.jp, E-mail: sano@ile.osaka-u.ac.jp

2014-10-10

The mechanism of large-scale dynamos in rigidly rotating stratified convection is explored by direct numerical simulations (DNS) in Cartesian geometry. A mean-field dynamo model is also constructed using turbulent velocity profiles consistently extracted from the corresponding DNS results. By quantitative comparison between the DNS and our mean-field model, it is demonstrated that the oscillatory α{sup 2} dynamo wave, excited and sustained in the convection zone, is responsible for large-scale magnetic activities such as cyclic polarity reversal and spatiotemporal migration. The results provide strong evidence that a nonuniformity of the α-effect, which is a natural outcome of rotating stratified convection, canmore » be an important prerequisite for large-scale stellar dynamos, even without the Ω-effect.« less

Subgrid-scale stresses and scalar fluxes constructed by the multi-scale turnover Lagrangian map

NASA Astrophysics Data System (ADS)

AL-Bairmani, Sukaina; Li, Yi; Rosales, Carlos; Xie, Zheng-tong

2017-04-01

The multi-scale turnover Lagrangian map (MTLM) [C. Rosales and C. Meneveau, "Anomalous scaling and intermittency in three-dimensional synthetic turbulence," Phys. Rev. E 78, 016313 (2008)] uses nested multi-scale Lagrangian advection of fluid particles to distort a Gaussian velocity field and, as a result, generate non-Gaussian synthetic velocity fields. Passive scalar fields can be generated with the procedure when the fluid particles carry a scalar property [C. Rosales, "Synthetic three-dimensional turbulent passive scalar fields via the minimal Lagrangian map," Phys. Fluids 23, 075106 (2011)]. The synthetic fields have been shown to possess highly realistic statistics characterizing small scale intermittency, geometrical structures, and vortex dynamics. In this paper, we present a study of the synthetic fields using the filtering approach. This approach, which has not been pursued so far, provides insights on the potential applications of the synthetic fields in large eddy simulations and subgrid-scale (SGS) modelling. The MTLM method is first generalized to model scalar fields produced by an imposed linear mean profile. We then calculate the subgrid-scale stress, SGS scalar flux, SGS scalar variance, as well as related quantities from the synthetic fields. Comparison with direct numerical simulations (DNSs) shows that the synthetic fields reproduce the probability distributions of the SGS energy and scalar dissipation rather well. Related geometrical statistics also display close agreement with DNS results. The synthetic fields slightly under-estimate the mean SGS energy dissipation and slightly over-predict the mean SGS scalar variance dissipation. In general, the synthetic fields tend to slightly under-estimate the probability of large fluctuations for most quantities we have examined. Small scale anisotropy in the scalar field originated from the imposed mean gradient is captured. The sensitivity of the synthetic fields on the input spectra is assessed by using truncated spectra or model spectra as the input. Analyses show that most of the SGS statistics agree well with those from MTLM fields with DNS spectra as the input. For the mean SGS energy dissipation, some significant deviation is observed. However, it is shown that the deviation can be parametrized by the input energy spectrum, which demonstrates the robustness of the MTLM procedure.

Particle Acceleration and Magnetic Field Generation in Electron-Positron Relativistic Shocks

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Hardee, P.; Richardson, G.; Preece, R.; Sol, H.; Fishman, G. J.

2004-01-01

Shock acceleration is an ubiquitous phenomenon in astrophysical plasmas. Plasma waves and their associated instabilities (e.g., Buneman, Weibel and other two-stream instabilities) created in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a 3-D relativistic electromagnetic particle (REMP) code, we have investigated particle acceleration associated with a relativistic electron-positron jet front propagating into an ambient electron-positron plasma with and without initial magnetic fields. We find small differences in the results for no ambient and modest ambient magnetic fields. Simulations show that the Weibel instability created in the collisionless shock front accelerates jet and ambient particles both perpendicular and parallel to the jet propagation direction. The non-linear fluctuation amplitudes of densities, currents, electric, and magnetic fields in the electron-positron shock are larger than those found in the electron-ion shock studied in a previous paper. This comes from the fact that both electrons and positrons contribute to generation of the Weibel instability. Additionally, we have performed simulations with different electron skin depths. We find that growth times scale inversely with the plasma frequency, and the sizes of structures created by the Weibel instability scale proportional to the electron skin depth. This is the expected result and indicates that the simulations have sufficient grid resolution. While some Fermi acceleration may occur at the jet front, the majority of electron and positron acceleration takes place behind the jet front and cannot be characterized as Fermi acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying nonuniform, small-scale magnetic fields which contribute to the electron's (positron's) transverse deflection behind the jet head. This small scale magnetic field structure is appropriate to the generation of "jitter" radiation from deflected electrons (positrons) as opposed to synchrotron radiation. The jitter radiation has different properties than synchrotron radiation calculated assuming a a uniform magnetic field. The jitter radiation resulting from small scale magnetic field structures may be important for understanding the complex time structure and spectral evolution observed in gamma-ray bursts or other astrophysical sources containing relativistic jets and relativistic collisionless shocks.

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

Multifractal vector fields and stochastic Clifford algebra.

PubMed

Schertzer, Daniel; Tchiguirinskaia, Ioulia

2015-12-01

In the mid 1980s, the development of multifractal concepts and techniques was an important breakthrough for complex system analysis and simulation, in particular, in turbulence and hydrology. Multifractals indeed aimed to track and simulate the scaling singularities of the underlying equations instead of relying on numerical, scale truncated simulations or on simplified conceptual models. However, this development has been rather limited to deal with scalar fields, whereas most of the fields of interest are vector-valued or even manifold-valued. We show in this paper that the combination of stable Lévy processes with Clifford algebra is a good candidate to bridge up the present gap between theory and applications. We show that it indeed defines a convenient framework to generate multifractal vector fields, possibly multifractal manifold-valued fields, based on a few fundamental and complementary properties of Lévy processes and Clifford algebra. In particular, the vector structure of these algebra is much more tractable than the manifold structure of symmetry groups while the Lévy stability grants a given statistical universality.

RANS Simulation (Virtual Blade Model [VBM]) of Single Lab Scaled DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto; Seydel, Joseph

2014-04-15

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study the flow field around and in the wake of the lab-scaled DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device. The required User Defined Functions (UDFs) and look-up table of lift and drag coefficients are included along with the .cas and .dat files.

Electron scale magnetic reconnection in the turbulent magnetosheath: Kinetic PIC simulation study

NASA Astrophysics Data System (ADS)

Sharma, P.; Shay, M. A.; Drake, J. F.; Phan, T.; Haggerty, C. C.; TenBarge, J. M.; Cassak, P.; Swisdak, M.

2017-12-01

Recent MMS observations have revealed electron scale reconnection in the turbulent magnetosheath. Surprisingly, although one of the reconnection events is associated with a very strong guide field, the ions show no coupling to the reconnection dynamics. We first review the MMS observations. Then, using kinetic PIC simulations with similar plasma conditions, we study reconnection at electron scales and show that the reconnection exhibits whistler-like dynamics similar to the case of anti-parallel reconnection rather than the kinetic Alfven wave dynamics that is often associated with reconnection with a strong guide field. We study the factors controlling this behavior and discuss the implications for reconnection and turbulence at electron scales in both the magnetosheath and solar wind.

Process-based modelling of NH3 exchange with grazed grasslands

NASA Astrophysics Data System (ADS)

Móring, Andrea; Vieno, Massimo; Doherty, Ruth M.; Milford, Celia; Nemitz, Eiko; Twigg, Marsailidh M.; Horváth, László; Sutton, Mark A.

2017-09-01

In this study the GAG model, a process-based ammonia (NH3) emission model for urine patches, was extended and applied for the field scale. The new model (GAG_field) was tested over two modelling periods, for which micrometeorological NH3 flux data were available. Acknowledging uncertainties in the measurements, the model was able to simulate the main features of the observed fluxes. The temporal evolution of the simulated NH3 exchange flux was found to be dominated by NH3 emission from the urine patches, offset by simultaneous NH3 deposition to areas of the field not affected by urine. The simulations show how NH3 fluxes over a grazed field in a given day can be affected by urine patches deposited several days earlier, linked to the interaction of volatilization processes with soil pH dynamics. Sensitivity analysis showed that GAG_field was more sensitive to soil buffering capacity (β), field capacity (θfc) and permanent wilting point (θpwp) than the patch-scale model. The reason for these different sensitivities is dual. Firstly, the difference originates from the different scales. Secondly, the difference can be explained by the different initial soil pH and physical properties, which determine the maximum volume of urine that can be stored in the NH3 source layer. It was found that in the case of urine patches with a higher initial soil pH and higher initial soil water content, the sensitivity of NH3 exchange to β was stronger. Also, in the case of a higher initial soil water content, NH3 exchange was more sensitive to the changes in θfc and θpwp. The sensitivity analysis showed that the nitrogen content of urine (cN) is associated with high uncertainty in the simulated fluxes. However, model experiments based on cN values randomized from an estimated statistical distribution indicated that this uncertainty is considerably smaller in practice. Finally, GAG_field was tested with a constant soil pH of 7.5. The variation of NH3 fluxes simulated in this way showed a good agreement with those from the simulations with the original approach, accounting for a dynamically changing soil pH. These results suggest a way for model simplification when GAG_field is applied later at regional scale.

Urban Flow and Pollutant Dispersion Simulation with Multi-scale coupling of Meteorological Model with Computational Fluid Dynamic Analysis

NASA Astrophysics Data System (ADS)

Liu, Yushi; Poh, Hee Joo

2014-11-01

The Computational Fluid Dynamics analysis has become increasingly important in modern urban planning in order to create highly livable city. This paper presents a multi-scale modeling methodology which couples Weather Research and Forecasting (WRF) Model with open source CFD simulation tool, OpenFOAM. This coupling enables the simulation of the wind flow and pollutant dispersion in urban built-up area with high resolution mesh. In this methodology meso-scale model WRF provides the boundary condition for the micro-scale CFD model OpenFOAM. The advantage is that the realistic weather condition is taken into account in the CFD simulation and complexity of building layout can be handled with ease by meshing utility of OpenFOAM. The result is validated against the Joint Urban 2003 Tracer Field Tests in Oklahoma City and there is reasonably good agreement between the CFD simulation and field observation. The coupling of WRF- OpenFOAM provide urban planners with reliable environmental modeling tool in actual urban built-up area; and it can be further extended with consideration of future weather conditions for the scenario studies on climate change impact.

The Effect of Combined Magnetic Geometries on Thermally Driven Winds. I. Interaction of Dipolar and Quadrupolar Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finley, Adam J.; Matt, Sean P., E-mail: af472@exeter.ac.uk

Cool stars with outer convective envelopes are observed to have magnetic fields with a variety of geometries, which on large scales are dominated by a combination of the lowest-order fields such as the dipole, quadrupole, and octupole modes. Magnetized stellar wind outflows are primarily responsible for the loss of angular momentum from these objects during the main sequence. Previous works have shown the reduced effectiveness of the stellar wind braking mechanism with increasingly complex but singular magnetic field geometries. In this paper, we quantify the impact of mixed dipolar and quadrupolar fields on the spin-down torque using 50 MHD simulationsmore » with mixed fields, along with 10 each of the pure geometries. The simulated winds include a wide range of magnetic field strength and reside in the slow-rotator regime. We find that the stellar wind braking torque from our combined geometry cases is well described by a broken power-law behavior, where the torque scaling with field strength can be predicted by the dipole component alone or the quadrupolar scaling utilizing the total field strength. The simulation results can be scaled and apply to all main-sequence cool stars. For solar parameters, the lowest-order component of the field (dipole in this paper) is the most significant in determining the angular momentum loss.« less

Magnetohydrodynamic Simulations for Studying Solar Flare Trigger Mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muhamad, J.; Kusano, K.; Inoue, S.

In order to understand the flare trigger mechanism, we conduct three-dimensional magnetohydrodynamic simulations using a coronal magnetic field model derived from data observed by the Hinode satellite. Several types of magnetic bipoles are imposed into the photospheric boundary of the Nonlinear Force-free Field model of Active Region (AR) NOAA 10930 on 2006 December 13, to investigate what kind of magnetic disturbance may trigger the flare. As a result, we confirm that certain small bipole fields, which emerge into the highly sheared global magnetic field of an AR, can effectively trigger a flare. These bipole fields can be classified into twomore » groups based on their orientation relative to the polarity inversion line: the so-called opposite polarity, and reversed shear structures, as suggested by Kusano et al. We also investigate the structure of the footpoints of reconnected field lines. By comparing the distribution of reconstructed field lines and observed flare ribbons, the trigger structure of the flare can be inferred. Our simulation suggests that the data-constrained simulation, taking into account both the large-scale magnetic structure and small-scale magnetic disturbance (such as emerging fluxes), is a good way to discover a flare-producing AR, which can be applied to space weather prediction.« less

Probing the Magnetic Field Structure in Sgr A* on Black Hole Horizon Scales with Polarized Radiative Transfer Simulations

NASA Astrophysics Data System (ADS)

Gold, Roman; McKinney, Jonathan C.; Johnson, Michael D.; Doeleman, Sheperd S.

2017-03-01

Magnetic fields are believed to drive accretion and relativistic jets in black hole accretion systems, but the magnetic field structure that controls these phenomena remains uncertain. We perform general relativistic (GR) polarized radiative transfer of time-dependent three-dimensional GR magnetohydrodynamical simulations to model thermal synchrotron emission from the Galactic Center source Sagittarius A* (Sgr A*). We compare our results to new polarimetry measurements by the Event Horizon Telescope (EHT) and show how polarization in the visibility (Fourier) domain distinguishes and constrains accretion flow models with different magnetic field structures. These include models with small-scale fields in disks driven by the magnetorotational instability as well as models with large-scale ordered fields in magnetically arrested disks. We also consider different electron temperature and jet mass-loading prescriptions that control the brightness of the disk, funnel-wall jet, and Blandford-Znajek-driven funnel jet. Our comparisons between the simulations and observations favor models with ordered magnetic fields near the black hole event horizon in Sgr A*, though both disk- and jet-dominated emission can satisfactorily explain most of the current EHT data. We also discuss how the black hole shadow can be filled-in by jet emission or mimicked by the absence of funnel jet emission. We show that stronger model constraints should be possible with upcoming circular polarization and higher frequency (349 GHz) measurements.

Simulation of the 3-D Evolution of Electron Scale Magnetic Reconnection - Motivated by Laboratory Experiments Predictions for MMS

NASA Astrophysics Data System (ADS)

Buechner, J.; Jain, N.; Sharma, A.

2013-12-01

The four s/c of the Magnetospheric Multiscale (MMS) mission, to be launched in 2014, will use the Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes. One of them is magnetic reconnection, an essentially multi-scale process. While laboratory experiments and past theoretical investigations have shown that important processes necessary to understand magnetic reconnection take place at electron scales the MMS mission for the first time will be able to resolve these scales by in space observations. For the measurement strategy of MMS it is important to make specific predictions of the behavior of current sheets with a thickness of the order of the electron skin depth which play an important role in the evolution of collisionless magnetic reconnection. Since these processes are highly nonlinear and non-local numerical simulation is needed to specify the current sheet evolution. Here we present new results about the nonlinear evolution of electron-scale current sheets starting from the linear stage and using 3-D electron-magnetohydrodynamic (EMHD) simulations. The growth rates of the simulated instabilities compared well with the growth rates obtained from linear theory. Mechanisms and conditions of the formation of flux ropes and of current filamentation will be discussed in comparison with the results of fully kinetic simulations. In 3D the X- and O-point configurations of the magnetic field formed in reconnection planes alternate along the out-of-reconnection-plane direction with the wavelength of the unstable mode. In the presence of multiple reconnection sites, the out-of-plane magnetic field can develop nested structure of quadrupoles in reconnection planes, similar to the 2-D case, but now with variations in the out-of-plane direction. The structures of the electron flow and magnetic field in 3-D simulations will be compared with those in 2-D simulations to discriminate the essentially 3D features. We also discuss the influence of guide fields, as in the magnetopause case and show how the 3-D evolution of an electron current sheet is influenced the strength of the guide field. This is unlike the 2-D case where reconnection takes place only in a plane. This work was partially funded by the Max-Planck/Princeton Center for Plasma Physics and the National Science Foundation.

Recovering the full velocity and density fields from large-scale redshift-distance samples

NASA Technical Reports Server (NTRS)

Bertschinger, Edmund; Dekel, Avishai

1989-01-01

A new method for extracting the large-scale three-dimensional velocity and mass density fields from measurements of the radial peculiar velocities is presented. Galaxies are assumed to trace the velocity field rather than the mass. The key assumption made is that the Lagrangian velocity field has negligible vorticity, as might be expected from perturbations that grew by gravitational instability. By applying the method to cosmological N-body simulations, it is demonstrated that it accurately reconstructs the velocity field. This technique promises a direct determination of the mass density field and the initial conditions for the formation of large-scale structure from galaxy peculiar velocity surveys.

Simbios: an NIH national center for physics-based simulation of biological structures.

PubMed

Delp, Scott L; Ku, Joy P; Pande, Vijay S; Sherman, Michael A; Altman, Russ B

2012-01-01

Physics-based simulation provides a powerful framework for understanding biological form and function. Simulations can be used by biologists to study macromolecular assemblies and by clinicians to design treatments for diseases. Simulations help biomedical researchers understand the physical constraints on biological systems as they engineer novel drugs, synthetic tissues, medical devices, and surgical interventions. Although individual biomedical investigators make outstanding contributions to physics-based simulation, the field has been fragmented. Applications are typically limited to a single physical scale, and individual investigators usually must create their own software. These conditions created a major barrier to advancing simulation capabilities. In 2004, we established a National Center for Physics-Based Simulation of Biological Structures (Simbios) to help integrate the field and accelerate biomedical research. In 6 years, Simbios has become a vibrant national center, with collaborators in 16 states and eight countries. Simbios focuses on problems at both the molecular scale and the organismal level, with a long-term goal of uniting these in accurate multiscale simulations.

Simbios: an NIH national center for physics-based simulation of biological structures

PubMed Central

Delp, Scott L; Ku, Joy P; Pande, Vijay S; Sherman, Michael A

2011-01-01

Physics-based simulation provides a powerful framework for understanding biological form and function. Simulations can be used by biologists to study macromolecular assemblies and by clinicians to design treatments for diseases. Simulations help biomedical researchers understand the physical constraints on biological systems as they engineer novel drugs, synthetic tissues, medical devices, and surgical interventions. Although individual biomedical investigators make outstanding contributions to physics-based simulation, the field has been fragmented. Applications are typically limited to a single physical scale, and individual investigators usually must create their own software. These conditions created a major barrier to advancing simulation capabilities. In 2004, we established a National Center for Physics-Based Simulation of Biological Structures (Simbios) to help integrate the field and accelerate biomedical research. In 6 years, Simbios has become a vibrant national center, with collaborators in 16 states and eight countries. Simbios focuses on problems at both the molecular scale and the organismal level, with a long-term goal of uniting these in accurate multiscale simulations. PMID:22081222

Mirror force induced wave dispersion in Alfvén waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Damiano, P. A.; Johnson, J. R.

2013-06-15

Recent hybrid MHD-kinetic electron simulations of global scale standing shear Alfvén waves along the Earth's closed dipolar magnetic field lines show that the upward parallel current region within these waves saturates and broadens perpendicular to the ambient magnetic field and that this broadening increases with the electron temperature. Using resistive MHD simulations, with a parallel Ohm's law derived from the linear Knight relation (which expresses the current-voltage relationship along an auroral field line), we explore the nature of this broadening in the context of the increased perpendicular Poynting flux resulting from the increased parallel electric field associated with mirror forcemore » effects. This increased Poynting flux facilitates wave energy dispersion across field lines which in-turn allows for electron acceleration to carry the field aligned current on adjacent field lines. This mirror force driven dispersion can dominate over that associated with electron inertial effects for global scale waves.« less

A Lagrangian effective field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Simulation of Atmospheric Dispersion of Elevated Releases from Point Sources in Mississippi Gulf Coast with Different Meteorological Data

PubMed Central

Yerramilli, Anjaneyulu; Srinivas, Challa Venkata; Dasari, Hari Prasad; Tuluri, Francis; White, Loren D.; Baham, Julius M.; Young, John H.; Hughes, Robert; Patrick, Chuck; Hardy, Mark G.; Swanier, Shelton J.

2009-01-01

Atmospheric dispersion calculations are made using the HYSPLIT Particle Dispersion Model for studying the transport and dispersion of air-borne releases from point elevated sources in the Mississippi Gulf coastal region. Simulations are performed separately with three meteorological data sets having different spatial and temporal resolution for a typical summer period in 1–3 June 2006 representing a weak synoptic condition. The first two data are the NCEP global and regional analyses (FNL, EDAS) while the third is a meso-scale simulation generated using the Weather Research and Forecasting model with nested domains at a fine resolution of 4 km. The meso-scale model results show significant temporal and spatial variations in the meteorological fields as a result of the combined influences of the land-sea breeze circulation, the large scale flow field and diurnal alteration in the mixing depth across the coast. The model predicted SO2 concentrations showed that the trajectory and the concentration distribution varied in the three cases of input data. While calculations with FNL data show an overall higher correlation, there is a significant positive bias during daytime and negative bias during night time. Calculations with EDAS fields are significantly below the observations during both daytime and night time though plume behavior follows the coastal circulation. The diurnal plume behavior and its distribution are better simulated using the mesoscale WRF meteorological fields in the coastal environment suggesting its suitability for pollution dispersion impact assessment in the local scale. Results of different cases of simulation, comparison with observations, correlation and bias in each case are presented. PMID:19440433

PIC Simulations of Hypersonic Plasma Instabilities

NASA Astrophysics Data System (ADS)

Niehoff, D.; Ashour-Abdalla, M.; Niemann, C.; Decyk, V.; Schriver, D.; Clark, E.

2013-12-01

The plasma sheaths formed around hypersonic aircraft (Mach number, M > 10) are relatively unexplored and of interest today to both further the development of new technologies and solve long-standing engineering problems. Both laboratory experiments and analytical/numerical modeling are required to advance the understanding of these systems; it is advantageous to perform these tasks in tandem. There has already been some work done to study these plasmas by experiments that create a rapidly expanding plasma through ablation of a target with a laser. In combination with a preformed magnetic field, this configuration leads to a magnetic "bubble" formed behind the front as particles travel at about Mach 30 away from the target. Furthermore, the experiment was able to show the generation of fast electrons which could be due to instabilities on electron scales. To explore this, future experiments will have more accurate diagnostics capable of observing time- and length-scales below typical ion scales, but simulations are a useful tool to explore these plasma conditions theoretically. Particle in Cell (PIC) simulations are necessary when phenomena are expected to be observed at these scales, and also have the advantage of being fully kinetic with no fluid approximations. However, if the scales of the problem are not significantly below the ion scales, then the initialization of the PIC simulation must be very carefully engineered to avoid unnecessary computation and to select the minimum window where structures of interest can be studied. One method of doing this is to seed the simulation with either experiment or ion-scale simulation results. Previous experiments suggest that a useful configuration for studying hypersonic plasma configurations is a ring of particles rapidly expanding transverse to an external magnetic field, which has been simulated on the ion scale with an ion-hybrid code. This suggests that the PIC simulation should have an equivalent configuration; however, modeling a plasma expanding radially in every direction is computationally expensive. In order to reduce the computational expense, we use a radial density profile from the hybrid simulation results to seed a self-consistent PIC simulation in one direction (x), while creating a current in the direction (y) transverse to both the drift velocity and the magnetic field (z) to create the magnetic bubble observed in experiment. The simulation will be run in two spatial dimensions but retain three velocity dimensions, and the results will be used to explore the growth of micro-instabilities present in hypersonic plasmas in the high-density region as it moves through the simulation box. This will still require a significantly large box in order to compare with experiment, as the experiments are being performed over distances of 104 λDe and durations of 105 ωpe-1.

Evaluation of asymmetric quadrupoles for a non-scaling fixed field alternating gradient accelerator

NASA Astrophysics Data System (ADS)

Lee, Sang-Hun; Park, Sae-Hoon; Kim, Yu-Seok

2017-12-01

A non-scaling fixed field alternating gradient (NS-FFAG) accelerator was constructed, which employs conventional quadrupoles. The possible demerit is the beam instability caused by the variable focusing strength when the orbit radius of the beam changes. To overcome this instability, it was suggested that the asymmetric quadrupole has different current flows in each coil. The magnetic field of the asymmetric quadrupole was found to be more similar to the magnetic field required for the FFAG accelerator than the constructed NS-FFAG accelerator. In this study, a simulation of the beam dynamics was carried out to evaluate the improvement to the beam stability for the NS-FFAG accelerator using the SIMION program. The beam dynamics simulation was conducted with the `hard edge' model; it ignored the fringe field at the end of the magnet. The magnetic field map of the suggested magnet was created using the SIMION program. The lattices for the simulation combined the suggested magnets. The magnets were evaluated for beam stability in the lattices through the SIMION program.

Simulation of electrostatic ion instabilities in the presence of parallel currents and transverse electric fields

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Ganguli, G.; Lee, Y. C.; Palmadesso, P. J.

1989-01-01

A spatially two-dimensional electrostatic PIC simulation code was used to study the stability of a plasma equilibrium characterized by a localized transverse dc electric field and a field-aligned drift for L is much less than Lx, where Lx is the simulation length in the x direction and L is the scale length associated with the dc electric field. It is found that the dc electric field and the field-aligned current can together play a synergistic role to enable the excitation of electrostatic waves even when the threshold values of the field aligned drift and the E x B drift are individually subcritical. The simulation results show that the growing ion waves are associated with small vortices in the linear stage, which evolve to the nonlinear stage dominated by larger vortices with lower frequencies.

Spatial application of WEPS for estimating wind erosion in the Pacific Northwest

USDA-ARS?s Scientific Manuscript database

The Wind Erosion Prediction System (WEPS) is used to simulate soil erosion on croplands and was originally designed to run field scale simulations. This research is an extension of the WEPS model to run on multiple fields (grids) covering a larger region. We modified the WEPS source code to allow it...

Spatial application of WEPS for estimating wind erosion in the Pacific Northwest

USDA-ARS?s Scientific Manuscript database

The Wind Erosion Prediction System (WEPS) is used to simulate soil erosion on cropland and was originally designed to run simulations on a field-scale size. This study extended WEPS to run on multiple fields (grids) independently to cover a large region and to conduct an initial investigation to ass...

Numerical Simulation of a High Mach Number Jet Flow

NASA Technical Reports Server (NTRS)

Hayder, M. Ehtesham; Turkel, Eli; Mankbadi, Reda R.

1993-01-01

The recent efforts to develop accurate numerical schemes for transition and turbulent flows are motivated, among other factors, by the need for accurate prediction of flow noise. The success of developing high speed civil transport plane (HSCT) is contingent upon our understanding and suppression of the jet exhaust noise. The radiated sound can be directly obtained by solving the full (time-dependent) compressible Navier-Stokes equations. However, this requires computational storage that is beyond currently available machines. This difficulty can be overcome by limiting the solution domain to the near field where the jet is nonlinear and then use acoustic analogy (e.g., Lighthill) to relate the far-field noise to the near-field sources. The later requires obtaining the time-dependent flow field. The other difficulty in aeroacoustics computations is that at high Reynolds numbers the turbulent flow has a large range of scales. Direct numerical simulations (DNS) cannot obtain all the scales of motion at high Reynolds number of technological interest. However, it is believed that the large scale structure is more efficient than the small-scale structure in radiating noise. Thus, one can model the small scales and calculate the acoustically active scales. The large scale structure in the noise-producing initial region of the jet can be viewed as a wavelike nature, the net radiated sound is the net cancellation after integration over space. As such, aeroacoustics computations are highly sensitive to errors in computing the sound sources. It is therefore essential to use a high-order numerical scheme to predict the flow field. The present paper presents the first step in a ongoing effort to predict jet noise. The emphasis here is in accurate prediction of the unsteady flow field. We solve the full time-dependent Navier-Stokes equations by a high order finite difference method. Time accurate spatial simulations of both plane and axisymmetric jet are presented. Jet Mach numbers of 1.5 and 2.1 are considered. Reynolds number in the simulations was about a million. Our numerical model is based on the 2-4 scheme by Gottlieb & Turkel. Bayliss et al. applied the 2-4 scheme in boundary layer computations. This scheme was also used by Ragab and Sheen to study the nonlinear development of supersonic instability waves in a mixing layer. In this study, we present two dimensional direct simulation results for both plane and axisymmetric jets. These results are compared with linear theory predictions. These computations were made for near nozzle exit region and velocity in spanwise/azimuthal direction was assumed to be zero.

Numerical Simulation of nZVI at the Field Scale

NASA Astrophysics Data System (ADS)

Chowdhury, A. I.; Krol, M.; Sleep, B. E.; O'Carroll, D. M.

2014-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI mobility at the field-scale. In this study a three dimensional, three phase, finite difference numerical simulator (CompSim) was used to simulate nZVI and polymer transport in a variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the amount of nZVI delivered to the saturated and unsaturated zones as well as the phase of nZVI (i.e., attached or aqueous phase). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity as well as viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher volume of nZVI delivered more iron particles at a given distance; however, not necessarily to a greater distance proportionate to the increase in volume. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and the numerical simulator can be a valuable tool for optimum design of nZVI applications.

Numerical Simulation of DC Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, Russell B.; Einaudi, G.; Taylor, Brian D.; Ugarte-Urra, Ignacio; Warren, Harry; Rappazzo, A. F.; Velli, Marco

2016-05-01

Recent research on observational signatures of turbulent heating of a coronal loop will be discussed. The evolution of the loop is is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. HYPERION calculates the full energy cycle involving footpoint convection, magnetic reconnection, nonlinear thermal conduction and optically thin radiation. The footpoints of the loop magnetic field are convected by random photospheric motions. As a consequence the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is non-uniformly distributed so that only a fraction of thecoronal mass and volume gets heated at any time. Temperature and density are highly structured at scales which, in the solar corona, remain observationally unresolved: the plasma of the simulated loop is multi thermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Typical simulated coronal loops are 50000 km length and have axial magnetic field intensities ranging from 0.01 to 0.04 Tesla. To connect these simulations to observations the computed number densities and temperatures are used to synthesize the intensities expected in emission lines typically observed with the Extreme ultraviolet Imaging Spectrometer (EIS) on Hinode. These intensities are then employed to compute differential emission measure distributions, which are found to be very similar to those derived from observations of solar active regions.

Hubble Space Telescope scale 3D simulations of MHD disc winds: a rotating two-component jet structure

NASA Astrophysics Data System (ADS)

Staff, J. E.; Koning, N.; Ouyed, R.; Thompson, A.; Pudritz, R. E.

2015-02-01

We present the results of large scale, three-dimensional magnetohydrodynamics simulations of disc winds for different initial magnetic field configurations. The jets are followed from the source to 90 au scale, which covers several pixels of Hubble Space Telescope images of nearby protostellar jets. Our simulations show that jets are heated along their length by many shocks. We compute the emission lines that are produced, and find excellent agreement with observations. The jet width is found to be between 20 and 30 au while the maximum velocities perpendicular to the jet are found to be up to above 100 km s-1. The initially less open magnetic field configuration simulations result in a wider, two-component jet; a cylindrically shaped outer jet surrounding a narrow and much faster, inner jet. These simulations preserve the underlying Keplerian rotation profile of the inner jet to large distances from the source. However, for the initially most open magnetic field configuration the kink mode creates a narrow corkscrew-like jet without a clear Keplerian rotation profile and even regions where we observe rotation opposite to the disc (counter-rotating). The RW Aur jet is narrow, indicating that the disc field in that case is very open meaning the jet can contain a counter-rotating component that we suggest explains why observations of rotation in this jet have given confusing results. Thus magnetized disc winds from underlying Keplerian discs can develop rotation profiles far down the jet that is not Keplerian.

Large-scale particle acceleration by magnetic reconnection during solar flares

NASA Astrophysics Data System (ADS)

Li, X.; Guo, F.; Li, H.; Li, G.; Li, S.

2017-12-01

Magnetic reconnection that triggers explosive magnetic energy release has been widely invoked to explain the large-scale particle acceleration during solar flares. While great efforts have been spent in studying the acceleration mechanism in small-scale kinetic simulations, there have been rare studies that make predictions to acceleration in the large scale comparable to the flare reconnection region. Here we present a new arrangement to study this problem. We solve the large-scale energetic-particle transport equation in the fluid velocity and magnetic fields from high-Lundquist-number MHD simulations of reconnection layers. This approach is based on examining the dominant acceleration mechanism and pitch-angle scattering in kinetic simulations. Due to the fluid compression in reconnection outflows and merging magnetic islands, particles are accelerated to high energies and develop power-law energy distributions. We find that the acceleration efficiency and power-law index depend critically on upstream plasma beta and the magnitude of guide field (the magnetic field component perpendicular to the reconnecting component) as they influence the compressibility of the reconnection layer. We also find that the accelerated high-energy particles are mostly concentrated in large magnetic islands, making the islands a source of energetic particles and high-energy emissions. These findings may provide explanations for acceleration process in large-scale magnetic reconnection during solar flares and the temporal and spatial emission properties observed in different flare events.

Computational Analyses in Support of Sub-scale Diffuser Testing for the A-3 Facility. Part 3; Aero-Acoustic Analyses and Experimental Validation

NASA Technical Reports Server (NTRS)

Allgood, Daniel C.; Graham, Jason S.; McVay, Greg P.; Langford, Lester L.

2008-01-01

A unique assessment of acoustic similarity scaling laws and acoustic analogy methodologies in predicting the far-field acoustic signature from a sub-scale altitude rocket test facility at the NASA Stennis Space Center was performed. A directional, point-source similarity analysis was implemented for predicting the acoustic far-field. In this approach, experimental acoustic data obtained from "similar" rocket engine tests were appropriately scaled using key geometric and dynamic parameters. The accuracy of this engineering-level method is discussed by comparing the predictions with acoustic far-field measurements obtained. In addition, a CFD solver was coupled with a Lilley's acoustic analogy formulation to determine the improvement of using a physics-based methodology over an experimental correlation approach. In the current work, steady-state Reynolds-averaged Navier-Stokes calculations were used to model the internal flow of the rocket engine and altitude diffuser. These internal flow simulations provided the necessary realistic input conditions for external plume simulations. The CFD plume simulations were then used to provide the spatial turbulent noise source distributions in the acoustic analogy calculations. Preliminary findings of these studies will be discussed.

Grand Minima and Equatorward Propagation in a Cycling Stellar Convective Dynamo

NASA Astrophysics Data System (ADS)

Augustson, Kyle; Brun, Allan Sacha; Miesch, Mark; Toomre, Juri

2015-08-01

The 3D MHD Anelastic Spherical Harmonic code, using slope-limited diffusion, is employed to capture convective and dynamo processes achieved in a global-scale stellar convection simulation for a model solar-mass star rotating at three times the solar rate. The dynamo-generated magnetic fields possesses many timescales, with a prominent polarity cycle occurring roughly every 6.2 years. The magnetic field forms large-scale toroidal wreaths, whose formation is tied to the low Rossby number of the convection in this simulation. The polarity reversals are linked to the weakened differential rotation and a resistive collapse of the large-scale magnetic field. An equatorial migration of the magnetic field is seen, which is due to the strong modulation of the differential rotation rather than a dynamo wave. A poleward migration of magnetic flux from the equator eventually leads to the reversal of the polarity of the high-latitude magnetic field. This simulation also enters an interval with reduced magnetic energy at low latitudes lasting roughly 16 years (about 2.5 polarity cycles), during which the polarity cycles are disrupted and after which the dynamo recovers its regular polarity cycles. An analysis of this grand minimum reveals that it likely arises through the interplay of symmetric and antisymmetric dynamo families. This intermittent dynamo state potentially results from the simulation’s relatively low magnetic Prandtl number. A mean-field-based analysis of this dynamo simulation demonstrates that it is of the α-Ω type. The timescales that appear to be relevant to the magnetic polarity reversal are also identified.

GRAND MINIMA AND EQUATORWARD PROPAGATION IN A CYCLING STELLAR CONVECTIVE DYNAMO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Augustson, Kyle; Miesch, Mark; Brun, Allan Sacha

2015-08-20

The 3D MHD Anelastic Spherical Harmonic code, using slope-limited diffusion, is employed to capture convective and dynamo processes achieved in a global-scale stellar convection simulation for a model solar-mass star rotating at three times the solar rate. The dynamo-generated magnetic fields possesses many timescales, with a prominent polarity cycle occurring roughly every 6.2 years. The magnetic field forms large-scale toroidal wreaths, whose formation is tied to the low Rossby number of the convection in this simulation. The polarity reversals are linked to the weakened differential rotation and a resistive collapse of the large-scale magnetic field. An equatorial migration of themore » magnetic field is seen, which is due to the strong modulation of the differential rotation rather than a dynamo wave. A poleward migration of magnetic flux from the equator eventually leads to the reversal of the polarity of the high-latitude magnetic field. This simulation also enters an interval with reduced magnetic energy at low latitudes lasting roughly 16 years (about 2.5 polarity cycles), during which the polarity cycles are disrupted and after which the dynamo recovers its regular polarity cycles. An analysis of this grand minimum reveals that it likely arises through the interplay of symmetric and antisymmetric dynamo families. This intermittent dynamo state potentially results from the simulation’s relatively low magnetic Prandtl number. A mean-field-based analysis of this dynamo simulation demonstrates that it is of the α-Ω type. The timescales that appear to be relevant to the magnetic polarity reversal are also identified.« less

Using adaptive-mesh refinement in SCFT simulations of surfactant adsorption

NASA Astrophysics Data System (ADS)

Sides, Scott; Kumar, Rajeev; Jamroz, Ben; Crockett, Robert; Pletzer, Alex

2013-03-01

Adsorption of surfactants at interfaces is relevant to many applications such as detergents, adhesives, emulsions and ferrofluids. Atomistic simulations of interface adsorption are challenging due to the difficulty of modeling the wide range of length scales in these problems: the thin interface region in equilibrium with a large bulk region that serves as a reservoir for the adsorbed species. Self-consistent field theory (SCFT) has been extremely useful for studying the morphologies of dense block copolymer melts. Field-theoretic simulations such as these are able to access large length and time scales that are difficult or impossible for particle-based simulations such as molecular dynamics. However, even SCFT methods can be difficult to apply to systems in which small spatial regions might require finer resolution than most of the simulation grid (eg. interface adsorption and confinement). We will present results on interface adsorption simulations using PolySwift++, an object-oriented, polymer SCFT simulation code aided by the Tech-X Chompst library that enables via block-structured AMR calculations with PETSc.

Divertor heat flux simulations in ELMy H-mode discharges of EAST

NASA Astrophysics Data System (ADS)

Xia, T. Y.; Xu, X. Q.; Wu, Y. B.; Huang, Y. Q.; Wang, L.; Zheng, Z.; Liu, J. B.; Zang, Q.; Li, Y. Y.; Zhao, D.; EAST Team

2017-11-01

This paper presents heat flux simulations for the ELMy H-mode on the Experimental Advanced Superconducting Tokamak (EAST) using a six-field two-fluid model in BOUT++. Three EAST ELMy H-mode discharges with different plasma currents I p and geometries are studied. The trend of the scrape-off layer width λq with I p is reproduced by the simulation. The simulated width is only half of that derived from the EAST scaling law, but agrees well with the international multi-machine scaling law. Note that there is no radio-frequency (RF) heating scheme in the simulations, and RF heating can change the boundary topology and increase the flux expansion. Anomalous electron transport is found to contribute to the divertor heat fluxes. A coherent mode is found in the edge region in simulations. The frequency and poloidal wave number kθ are in the range of the edge coherent mode in EAST. The magnetic fluctuations of the mode are smaller than the electric field fluctuations. Statistical analysis of the type of turbulence shows that the turbulence transport type (blobby or turbulent) does not influence the heat flux width scaling. The two-point model differs from the simulation results but the drift-based model shows good agreement with simulations.

FAST MAGNETIC FIELD AMPLIFICATION IN THE EARLY UNIVERSE: GROWTH OF COLLISIONLESS PLASMA INSTABILITIES IN TURBULENT MEDIA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Falceta-Gonçalves, D.; Kowal, G.

2015-07-20

In this work we report on a numerical study of the cosmic magnetic field amplification due to collisionless plasma instabilities. The collisionless magnetohydrodynamic equations derived account for the pressure anisotropy that leads, in specific conditions, to the firehose and mirror instabilities. We study the time evolution of seed fields in turbulence under the influence of such instabilities. An approximate analytical time evolution of the magnetic field is provided. The numerical simulations and the analytical predictions are compared. We found that (i) amplification of the magnetic field was efficient in firehose-unstable turbulent regimes, but not in the mirror-unstable models; (ii) the growthmore » rate of the magnetic energy density is much faster than the turbulent dynamo; and (iii) the efficient amplification occurs at small scales. The analytical prediction for the correlation between the growth timescales and pressure anisotropy is confirmed by the numerical simulations. These results reinforce the idea that pressure anisotropies—driven naturally in a turbulent collisionless medium, e.g., the intergalactic medium, could efficiently amplify the magnetic field in the early universe (post-recombination era), previous to the collapse of the first large-scale gravitational structures. This mechanism, though fast for the small-scale fields (∼kpc scales), is unable to provide relatively strong magnetic fields at large scales. Other mechanisms that were not accounted for here (e.g., collisional turbulence once instabilities are quenched, velocity shear, or gravitationally induced inflows of gas into galaxies and clusters) could operate afterward to build up large-scale coherent field structures in the long time evolution.« less

3D Electromagnetic Particle-in-Cell simulations of the solar wind interaction with lunar magnetic anomalies

NASA Astrophysics Data System (ADS)

Deca, J.; Lapenta, G.; Divin, A. V.; Lembege, B.; Markidis, S.

2013-12-01

Unlike the Earth and Mercury, our Moon has no global magnetic field and is therefore not shielded from the impinging solar wind by a magnetosphere. However, lunar magnetic field measurements made by the Apollo missions provided direct evidence that the Moon has regions of small-scale crustal magnetic fields, ranging up to a few 100km in scale size with surface magnetic field strengths up to hundreds of nanoTeslas. More recently, the Lunar Prospector spacecraft has provided high-resolution observations allowing to construct magnetic field maps of the entire Moon, confirming the earlier results from Apollo, but also showing that the lunar plasma environment is much richer than earlier believed. Typically the small-scale magnetic fields are non-dipolar and rather tiny compared to the lunar radius and mainly clustered on the far side of the moon. Using iPic3D we present the first 3D fully kinetic and electromagnetic Particle-in-Cell simulations of the solar wind interaction with lunar magnetic anomalies. We study the behaviour of a dipole model with variable surface magnetic field strength under changing solar wind conditions and confirm that lunar crustal magnetic fields may indeed be strong enough to stand off the solar wind and form a mini-magnetosphere, as suggested by MHD and hybrid simulations and spacecraft observations. 3D-PIC simulations reveal to be very helpful to analyze the diversion/braking of the particle flux and the characteristics of the resulting particles accumulation. The particle flux to the surface is significantly reduced at the magnetic anomaly, surrounded by a region of enhanced density due to the magnetic mirror effect. Second, the ability of iPic3D to resolve all plasma components (heavy ions, protons and electrons) allows to discuss in detail the electron physics leading to the highly non-adiabatic interactions expected as well as the implications for solar wind shielding of the lunar surface, depending on the scale size (solar wind protons typically have gyroradii larger than the magnetic anomaly scale size) and magnetic field strength. The research leading to these results has received funding from the European Commission's Seventh Framework Programme (FP7/2007-2013) under the grant agreement SWIFF (project 2633430, swiff.eu). Cut along the dipole axis of the lunar anomaly, showing the electron density structure.

Scaled-down particle-in-cell simulation of cathode plasma expansion in magnetically insulated coaxial diode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Danni; Zhang, Jun, E-mail: zhangjun@nudt.edu.cn; Zhong, Huihuang

2016-03-15

The expansion of cathode plasma in magnetically insulated coaxial diode (MICD) is investigated in theory and particle-in-cell (PIC) simulation. The temperature and density of the cathode plasma are about several eV and 10{sup 13}–10{sup 16 }cm{sup −3}, respectively, and its expansion velocity is of the level of few cm/μs. Through hydrodynamic theory analysis, expressions of expansion velocities in axial and radial directions are obtained. The characteristics of cathode plasma expansion have been simulated through scaled-down PIC models. Simulation results indicate that the expansion velocity is dominated by the ratio of plasma density other than the static electric field. The electric fieldmore » counteracts the plasma expansion reverse of it. The axial guiding magnetic field only reduces the radial transport coefficients by a correction factor, but not the axial ones. Both the outward and inward radial expansions of a MICD are suppressed by the much stronger guiding magnetic field and even cease.« less

Multiscale Analysis of Rapidly Rotating Dynamo Simulations

NASA Astrophysics Data System (ADS)

Orvedahl, Ryan; Calkins, Michael; Featherstone, Nicholas

2017-11-01

The magnetic field of the planets and stars are generated by dynamo action in their electrically conducting fluid interiors. Numerical models of this process solve the fundamental equations of magnetohydrodynamics driven by convection in a rotating spherical shell. Rotation plays an important role in modifying the resulting convective flows and the self-generated magnetic field. We present results of simulating rapidly rotating systems that are unstable to dynamo action. We use the pseudo-spectral code Rayleigh to generate a suite of direct numerical simulations. Each simulation uses the Boussinesq approximation and is characterized by an Ekman number (Ek = ν / ΩL2) of 10-5. We vary the degree of convective forcing to obtain a range of convective Rossby numbers. The resulting flows and magnetic structures are analyzed using a Reynolds decomposition. We determine the relative importance of each term in the scale-separated governing equations and estimate the relevant spatial scales responsible for generating the mean magnetic field.

The dynamics of magnetic flux rings

NASA Technical Reports Server (NTRS)

Deluca, E. E.; Fisher, G. H.; Patten, B. M.

1993-01-01

The evolution of magnetic fields in the presence of turbulent convection is examined using results of numerical simulations of closed magnetic flux tubes embedded in a steady 'ABC' flow field, which approximate some of the important characteristics of a turbulent convecting flow field. Three different evolutionary scenarios were found: expansion to a steady deformed ring; collapse to a compact fat flux ring, separated from the expansion type of behavior by a critical length scale; and, occasionally, evolution toward an advecting, oscillatory state. The work suggests that small-scale flows will not have a strong effect on large-scale, strong fields.

Velocity-Resolved LES (VR-LES) technique for simulating turbulent transport of high Schmidt number passive scalars

NASA Astrophysics Data System (ADS)

Verma, Siddhartha; Blanquart, Guillaume; P. K. Yeung Collaboration

2011-11-01

Accurate simulation of high Schmidt number scalar transport in turbulent flows is essential to studying pollutant dispersion, weather, and several oceanic phenomena. Batchelor's theory governs scalar transport in such flows, but requires further validation at high Schmidt and high Reynolds numbers. To this end, we use a new approach with the velocity field fully resolved, but the scalar field only partially resolved. The grid used is fine enough to resolve scales up to the viscous-convective subrange where the decaying slope of the scalar spectrum becomes constant. This places the cutoff wavenumber between the Kolmogorov scale and the Batchelor scale. The subgrid scale terms, which affect transport at the supergrid scales, are modeled under the assumption that velocity fluctuations are negligible beyond this cutoff wavenumber. To ascertain the validity of this technique, we performed a-priori testing on existing DNS data. This Velocity-Resolved LES (VR-LES) technique significantly reduces the computational cost of turbulent simulations of high Schmidt number scalars, and yet provides valuable information of the scalar spectrum in the viscous-convective subrange.

Comparison of dislocation density tensor fields derived from discrete dislocation dynamics and crystal plasticity simulations of torsion

DOE PAGES

Jones, Reese E.; Zimmerman, Jonathan A.; Po, Giacomo; ...

2016-02-01

Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CPmore » models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.« less

Fluid-structure interaction simulation of floating structures interacting with complex, large-scale ocean waves and atmospheric turbulence with application to floating offshore wind turbines

NASA Astrophysics Data System (ADS)

Calderer, Antoni; Guo, Xin; Shen, Lian; Sotiropoulos, Fotis

2018-02-01

We develop a numerical method for simulating coupled interactions of complex floating structures with large-scale ocean waves and atmospheric turbulence. We employ an efficient large-scale model to develop offshore wind and wave environmental conditions, which are then incorporated into a high resolution two-phase flow solver with fluid-structure interaction (FSI). The large-scale wind-wave interaction model is based on a two-fluid dynamically-coupled approach that employs a high-order spectral method for simulating the water motion and a viscous solver with undulatory boundaries for the air motion. The two-phase flow FSI solver is based on the level set method and is capable of simulating the coupled dynamic interaction of arbitrarily complex bodies with airflow and waves. The large-scale wave field solver is coupled with the near-field FSI solver with a one-way coupling approach by feeding into the latter waves via a pressure-forcing method combined with the level set method. We validate the model for both simple wave trains and three-dimensional directional waves and compare the results with experimental and theoretical solutions. Finally, we demonstrate the capabilities of the new computational framework by carrying out large-eddy simulation of a floating offshore wind turbine interacting with realistic ocean wind and waves.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schertzer, Daniel, E-mail: Daniel.Schertzer@enpc.fr; Tchiguirinskaia, Ioulia, E-mail: Ioulia.Tchiguirinskaia@enpc.fr

In the mid 1980s, the development of multifractal concepts and techniques was an important breakthrough for complex system analysis and simulation, in particular, in turbulence and hydrology. Multifractals indeed aimed to track and simulate the scaling singularities of the underlying equations instead of relying on numerical, scale truncated simulations or on simplified conceptual models. However, this development has been rather limited to deal with scalar fields, whereas most of the fields of interest are vector-valued or even manifold-valued. We show in this paper that the combination of stable Lévy processes with Clifford algebra is a good candidate to bridge upmore » the present gap between theory and applications. We show that it indeed defines a convenient framework to generate multifractal vector fields, possibly multifractal manifold-valued fields, based on a few fundamental and complementary properties of Lévy processes and Clifford algebra. In particular, the vector structure of these algebra is much more tractable than the manifold structure of symmetry groups while the Lévy stability grants a given statistical universality.« less

Assessing sorbent injection mercury control effectiveness in flue gas streams

USGS Publications Warehouse

Carey, T.R.; Richardson, C.F.; Chang, R.; Meserole, F.B.; Rostam-Abadi, M.; Chen, S.

2000-01-01

One promising approach for removing mercury from coal-fired, utility flue gas involves the direct injection of mercury sorbents. Although this method has been effective at removing mercury in municipal waste incinerators, tests conducted to date on utility coal-fired boilers show that mercury removal is much more difficult in utility flue gas. EPRI is conducting research to investigate mercury removal using sorbents in this application. Bench-scale, pilot-scale, and field tests have been conducted to determine the ability of different sorbents to remove mercury in simulated and actual flue gas streams. This paper focuses on recent bench-scale and field test results evaluating the adsorption characteristics of activated carbon and fly ash and the use of these results to develop a predictive mercury removal model. Field tests with activated carbon show that adsorption characteristics measured in the lab agree reasonably well with characteristics measured in the field. However, more laboratory and field data will be needed to identify other gas phase components which may impact performance. This will allow laboratory tests to better simulate field conditions and provide improved estimates of sorbent performance for specific sites. In addition to activated carbon results, bench-scale and modeling results using fly ash are presented which suggest that certain fly ashes are capable of adsorbing mercury.

Probing the Magnetic Field Structure in Sgr A* on Black Hole Horizon Scales with Polarized Radiative Transfer Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gold, Roman; McKinney, Jonathan C.; Johnson, Michael D.

Magnetic fields are believed to drive accretion and relativistic jets in black hole accretion systems, but the magnetic field structure that controls these phenomena remains uncertain. We perform general relativistic (GR) polarized radiative transfer of time-dependent three-dimensional GR magnetohydrodynamical simulations to model thermal synchrotron emission from the Galactic Center source Sagittarius A* (Sgr A*). We compare our results to new polarimetry measurements by the Event Horizon Telescope (EHT) and show how polarization in the visibility (Fourier) domain distinguishes and constrains accretion flow models with different magnetic field structures. These include models with small-scale fields in disks driven by the magnetorotationalmore » instability as well as models with large-scale ordered fields in magnetically arrested disks. We also consider different electron temperature and jet mass-loading prescriptions that control the brightness of the disk, funnel-wall jet, and Blandford–Znajek-driven funnel jet. Our comparisons between the simulations and observations favor models with ordered magnetic fields near the black hole event horizon in Sgr A*, though both disk- and jet-dominated emission can satisfactorily explain most of the current EHT data. We also discuss how the black hole shadow can be filled-in by jet emission or mimicked by the absence of funnel jet emission. We show that stronger model constraints should be possible with upcoming circular polarization and higher frequency (349 GHz) measurements.« less

Internal variability of fine-scale components of meteorological fields in extended-range limited-area model simulations with atmospheric and surface nudging

NASA Astrophysics Data System (ADS)

Separovic, Leo; Husain, Syed Zahid; Yu, Wei

2015-09-01

Internal variability (IV) in dynamical downscaling with limited-area models (LAMs) represents a source of error inherent to the downscaled fields, which originates from the sensitive dependence of the models to arbitrarily small modifications. If IV is large it may impose the need for probabilistic verification of the downscaled information. Atmospheric spectral nudging (ASN) can reduce IV in LAMs as it constrains the large-scale components of LAM fields in the interior of the computational domain and thus prevents any considerable penetration of sensitively dependent deviations into the range of large scales. Using initial condition ensembles, the present study quantifies the impact of ASN on IV in LAM simulations in the range of fine scales that are not controlled by spectral nudging. Four simulation configurations that all include strong ASN but differ in the nudging settings are considered. In the fifth configuration, grid nudging of land surface variables toward high-resolution surface analyses is applied. The results show that the IV at scales larger than 300 km can be suppressed by selecting an appropriate ASN setup. At scales between 300 and 30 km, however, in all configurations, the hourly near-surface temperature, humidity, and winds are only partly reproducible. Nudging the land surface variables is found to have the potential to significantly reduce IV, particularly for fine-scale temperature and humidity. On the other hand, hourly precipitation accumulations at these scales are generally irreproducible in all configurations, and probabilistic approach to downscaling is therefore recommended.

Properties of Decaying Plasma Turbulence at Subproton Scales

NASA Astrophysics Data System (ADS)

Olshevsky, Vyacheslav; Servidio, Sergio; Pucci, Francesco; Primavera, Leonardo; Lapenta, Giovanni

2018-06-01

We study the properties of plasma turbulence at subproton scales using kinetic electromagnetic three-dimensional simulations with nonidentical initial conditions. Particle-in-cell modeling of the Taylor–Green vortex has been performed, starting from three different magnetic field configurations. All simulations expose very similar energy evolution in which the large-scale ion flows and magnetic structures deteriorate and transfer their energy into particle heating. Heating is more intense for electrons, decreasing the initial temperature ratio and leading to temperature equipartition between the two species. A full turbulent cascade, with a well-defined power-law shape at subproton scales, is established within a characteristic turnover time. Spectral indices for magnetic field fluctuations in two simulations are close to α B ≈ 2.9, and are steeper in the remaining case with α B ≈ 3.05. Energy is dissipated by a complex mixture of plasma instabilities and magnetic reconnection and is milder in the latter simulation. The number of magnetic nulls, and the dissipation pattern observed in this case, differ from two others. Spectral indices for the kinetic energy deviate from magnetic spectra by ≈1 in the first simulation, and by ≈0.75 in two other runs. The difference between magnetic and electric slopes confirm the previously observed value of α B ‑ α E ≈ 2.

Multi-scale properties of large eddy simulations: correlations between resolved-scale velocity-field increments and subgrid-scale quantities

NASA Astrophysics Data System (ADS)

Linkmann, Moritz; Buzzicotti, Michele; Biferale, Luca

2018-06-01

We provide analytical and numerical results concerning multi-scale correlations between the resolved velocity field and the subgrid-scale (SGS) stress-tensor in large eddy simulations (LES). Following previous studies for Navier-Stokes equations, we derive the exact hierarchy of LES equations governing the spatio-temporal evolution of velocity structure functions of any order. The aim is to assess the influence of the subgrid model on the inertial range intermittency. We provide a series of predictions, within the multifractal theory, for the scaling of correlation involving the SGS stress and we compare them against numerical results from high-resolution Smagorinsky LES and from a-priori filtered data generated from direct numerical simulations (DNS). We find that LES data generally agree very well with filtered DNS results and with the multifractal prediction for all leading terms in the balance equations. Discrepancies are measured for some of the sub-leading terms involving cross-correlation between resolved velocity increments and the SGS tensor or the SGS energy transfer, suggesting that there must be room to improve the SGS modelisation to further extend the inertial range properties for any fixed LES resolution.

Nonlinear dynamo in the intracluster medium

NASA Astrophysics Data System (ADS)

Beresnyak, Andrey; Miniati, Francesco

2018-05-01

Hot plasma in galaxy clusters, the intracluster medium is observed to be magnetized with magnetic fields of around a μG and the correlation scales of tens of kiloparsecs, the largest scales of the magnetic field so far observed in the Universe. Can this magnetic field be used as a test of the primordial magnetic field in the early Universe? In this paper, we argue that if the cluster field was created by the nonlinear dynamo, the process would be insensitive to the value of the initial field. Our model combines state of the art hydrodynamic simulations of galaxy cluster formation in a fully cosmological context with nonlinear dynamo theory. Initial field is not a parameter in this model, yet it predicts magnetic scale and strength compatible with observations.

A simulation of high energy cosmic ray propagation 1

NASA Technical Reports Server (NTRS)

Honda, M.; Kifune, T.; Matsubara, Y.; Mori, M.; Nishijima, K.; Teshima, M.

1985-01-01

High energy cosmic ray propagation of the energy region 10 to the 14.5 power - 10 to the 18th power eV is simulated in the inter steller circumstances. In conclusion, the diffusion process by turbulent magnetic fields is classified into several regions by ratio of the gyro-radius and the scale of turbulence. When the ratio becomes larger then 10 to the minus 0.5 power, the analysis with the assumption of point scattering can be applied with the mean free path E sup 2. However, when the ratio is smaller than 10 to the minus 0.5 power, we need a more complicated analysis or simulation. Assuming the turbulence scale of magnetic fields of the Galaxy is 10-30pc and the mean magnetic field strength is 3 micro gauss, the energy of cosmic ray with that gyro-radius is about 10 to the 16.5 power eV.

Test-particle simulations of SEP propagation in IMF with large-scale fluctuations

NASA Astrophysics Data System (ADS)

Kelly, J.; Dalla, S.; Laitinen, T.

2012-11-01

The results of full-orbit test-particle simulations of SEPs propagating through an IMF which exhibits large-scale fluctuations are presented. A variety of propagation conditions are simulated - scatter-free, and scattering with mean free path, λ, of 0.3 and 2.0 AU - and the cross-field transport of SEPs is investigated. When calculating cross-field displacements the Parker spiral geometry is accounted for and the role of magnetic field expansion is taken into account. It is found that transport across the magnetic field is enhanced in the λ =0.3 AU and λ =2 AU cases, compared to the scatter-free case, with the λ =2 AU case in particular containing outlying particles that had strayed a large distance across the IMF. Outliers are catergorized by means of Chauvenet's criterion and it is found that typically between 1 and 2% of the population falls within this category. The ratio of latitudinal to longitudinal diffusion coefficient perpendicular to the magnetic field is typically 0.2, suggesting that transport in latitude is less efficient.

Code modernization and modularization of APEX and SWAT watershed simulation models

USDA-ARS?s Scientific Manuscript database

SWAT (Soil and Water Assessment Tool) and APEX (Agricultural Policy / Environmental eXtender) are respectively large and small watershed simulation models derived from EPIC Environmental Policy Integrated Climate), a field-scale agroecology simulation model. All three models are coded in FORTRAN an...

Results of a flow field survey conducted using the 0.0175 scale orbiter model 29-0 in AEDC VKF tunnel B during test OH52. [atmospheric entry simulation

NASA Technical Reports Server (NTRS)

Herrera, B. J.

1976-01-01

Static pressure data and flow field surveys of the boundary layer and shock layer on the lower surface of a 0.0175 scale model of the space shuttle orbiter were obtained in a hypersonic wind tunnel. The tests were conducted at Mach number 7.9 and Reynolds number based on the model length of 1.3 x 1 million to simulate atmospheric entry. Twenty-six stations were surveyed at 30 and 35 degree angles of attack.

Penetration of Large Scale Electric Field to Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Chen, S. H.; Fok, M. C. H.; Sibeck, D. G.; Wygant, J. R.; Spence, H. E.; Larsen, B.; Reeves, G. D.; Funsten, H. O.

2015-12-01

The direct penetration of large scale global electric field to the inner magnetosphere is a critical element in controlling how the background thermal plasma populates within the radiation belts. These plasma populations provide the source of particles and free energy needed for the generation and growth of various plasma waves that, at critical points of resonances in time and phase space, can scatter or energize radiation belt particles to regulate the flux level of the relativistic electrons in the system. At high geomagnetic activity levels, the distribution of large scale electric fields serves as an important indicator of how prevalence of strong wave-particle interactions extend over local times and radial distances. To understand the complex relationship between the global electric fields and thermal plasmas, particularly due to the ionospheric dynamo and the magnetospheric convection effects, and their relations to the geomagnetic activities, we analyze the electric field and cold plasma measurements from Van Allen Probes over more than two years period and simulate a geomagnetic storm event using Coupled Inner Magnetosphere-Ionosphere Model (CIMI). Our statistical analysis of the measurements from Van Allan Probes and CIMI simulations of the March 17, 2013 storm event indicate that: (1) Global dawn-dusk electric field can penetrate the inner magnetosphere inside the inner belt below L~2. (2) Stronger convections occurred in the dusk and midnight sectors than those in the noon and dawn sectors. (3) Strong convections at multiple locations exist at all activity levels but more complex at higher activity levels. (4) At the high activity levels, strongest convections occur in the midnight sectors at larger distances from the Earth and in the dusk sector at closer distances. (5) Two plasma populations of distinct ion temperature isotropies divided at L-Shell ~2, indicating distinct heating mechanisms between inner and outer radiation belts. (6) CIMI simulations reveal alternating penetration and shielding electric fields during the main phase of the geomagnetic storm, indicating an impulsive nature of the large scale penetrating electric field in regulating the gain and loss of radiation belt particles. We will present the statistical analysis and simulations results.

Noise characteristics of upper surface blown configurations. Experimental program and results

NASA Technical Reports Server (NTRS)

Brown, W. H.; Searle, N.; Blakney, D. F.; Pennock, A. P.; Gibson, J. S.

1977-01-01

An experimental data base was developed from the model upper surface blowing (USB) propulsive lift system hardware. While the emphasis was on far field noise data, a considerable amount of relevant flow field data were also obtained. The data were derived from experiments in four different facilities resulting in: (1) small scale static flow field data; (2) small scale static noise data; (3) small scale simulated forward speed noise and load data; and (4) limited larger-scale static noise flow field and load data. All of the small scale tests used the same USB flap parts. Operational and geometrical variables covered in the test program included jet velocity, nozzle shape, nozzle area, nozzle impingement angle, nozzle vertical and horizontal location, flap length, flap deflection angle, and flap radius of curvature.

The evolution of stable magnetic fields in stars: an analytical approach

NASA Astrophysics Data System (ADS)

Mestel, Leon; Moss, David

2010-07-01

The absence of a rigorous proof of the existence of dynamically stable, large-scale magnetic fields in radiative stars has been for many years a missing element in the fossil field theory for the magnetic Ap/Bp stars. Recent numerical simulations, by Braithwaite & Spruit and Braithwaite & Nordlund, have largely filled this gap, demonstrating convincingly that coherent global scale fields can survive for times of the order of the main-sequence lifetimes of A stars. These dynamically stable configurations take the form of magnetic tori, with linked poloidal and toroidal fields, that slowly rise towards the stellar surface. This paper studies a simple analytical model of such a torus, designed to elucidate the physical processes that govern its evolution. It is found that one-dimensional numerical calculations reproduce some key features of the numerical simulations, with radiative heat transfer, Archimedes' principle, Lorentz force and Ohmic decay all playing significant roles.

Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.

PubMed

Krishnakumar, V; Prabavathi, N

2009-09-15

This work deals with the vibrational spectroscopy of p-hydroxyanisole (PHA) and p-nitroanisole (PNA) by means of quantum chemical calculations. The mid and far FT-IR and FT-Raman spectra were recorded in the condensed state. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-31G* method and basis set combination and were scaled using various scale factors which yield a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled density functional force field. The results of the calculations were applied to simulate infrared and Raman spectra of the title compounds, which showed excellent agreement with the observed spectra.

Kinetic-scale flux rope reconnection in periodic and line-tied geometries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sauppe, J. P.; Daughton, W.

Here, the collisionless reconnection of two parallel flux ropes driven by both the coalescence and kink instabilities is examined using fully kinetic simulations in periodic and line-tied geometries. The three-dimensional reconnection rate is computed from the maximum of the quasi-potential, Ξ≡-∫E·dℓ, where the integral of the electric field is taken along the magnetic field lines across the system. In periodic simulations in which the kink mode is nearly suppressed, reconnection is driven by the coalescence instability, and the peak rate is within 3%–8% of comparable 2D simulations. When a strong kink growth is observed, the peak reconnection rate drops bymore » 10%–25%, and there is a larger drop for lower guide field. With line-tied boundary conditions, the kink instability plays a key role in allowing the flux ropes to interact and partially reconnect. In this limit, the field lines with maximum quasi-potential are associated with a quasi-separatrix layer, and the electric field along these special field lines is supported predominantly by the divergence of the electron pressure tensor. Both of these features, along with the observed reconnection rate, are consistent with recent laboratory experiments on kinetic-scale flux ropes. In kinetic simulations, the non-gyrotropic pressure tensor terms contribute significantly more to the reconnecting electric field than do the gyrotropic terms, while contributions from the electron inertia are significant for field lines adjacent to the quasi-separatrix layer.« less

Kinetic-scale flux rope reconnection in periodic and line-tied geometries

DOE PAGES

Sauppe, J. P.; Daughton, W.

2017-12-28

Here, the collisionless reconnection of two parallel flux ropes driven by both the coalescence and kink instabilities is examined using fully kinetic simulations in periodic and line-tied geometries. The three-dimensional reconnection rate is computed from the maximum of the quasi-potential, Ξ≡-∫E·dℓ, where the integral of the electric field is taken along the magnetic field lines across the system. In periodic simulations in which the kink mode is nearly suppressed, reconnection is driven by the coalescence instability, and the peak rate is within 3%–8% of comparable 2D simulations. When a strong kink growth is observed, the peak reconnection rate drops bymore » 10%–25%, and there is a larger drop for lower guide field. With line-tied boundary conditions, the kink instability plays a key role in allowing the flux ropes to interact and partially reconnect. In this limit, the field lines with maximum quasi-potential are associated with a quasi-separatrix layer, and the electric field along these special field lines is supported predominantly by the divergence of the electron pressure tensor. Both of these features, along with the observed reconnection rate, are consistent with recent laboratory experiments on kinetic-scale flux ropes. In kinetic simulations, the non-gyrotropic pressure tensor terms contribute significantly more to the reconnecting electric field than do the gyrotropic terms, while contributions from the electron inertia are significant for field lines adjacent to the quasi-separatrix layer.« less

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field.

PubMed

Jamroz, Michal; Orozco, Modesto; Kolinski, Andrzej; Kmiecik, Sebastian

2013-01-08

It is widely recognized that atomistic Molecular Dynamics (MD), a classical simulation method, captures the essential physics of protein dynamics. That idea is supported by a theoretical study showing that various MD force-fields provide a consensus picture of protein fluctuations in aqueous solution [Rueda, M. et al. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 796-801]. However, atomistic MD cannot be applied to most biologically relevant processes due to its limitation to relatively short time scales. Much longer time scales can be accessed by properly designed coarse-grained models. We demonstrate that the aforementioned consensus view of protein dynamics from short (nanosecond) time scale MD simulations is fairly consistent with the dynamics of the coarse-grained protein model - the CABS model. The CABS model employs stochastic dynamics (a Monte Carlo method) and a knowledge-based force-field, which is not biased toward the native structure of a simulated protein. Since CABS-based dynamics allows for the simulation of entire folding (or multiple folding events) in a single run, integration of the CABS approach with all-atom MD promises a convenient (and computationally feasible) means for the long-time multiscale molecular modeling of protein systems with atomistic resolution.

A multiple-fan active control wind tunnel for outdoor wind speed and direction simulation

NASA Astrophysics Data System (ADS)

Wang, Jia-Ying; Meng, Qing-Hao; Luo, Bing; Zeng, Ming

2018-03-01

This article presents a new type of active controlled multiple-fan wind tunnel. The wind tunnel consists of swivel plates and arrays of direct current fans, and the rotation speed of each fan and the shaft angle of each swivel plate can be controlled independently for simulating different kinds of outdoor wind fields. To measure the similarity between the simulated wind field and the outdoor wind field, wind speed and direction time series of two kinds of wind fields are recorded by nine two-dimensional ultrasonic anemometers, and then statistical properties of the wind signals in different time scales are analyzed based on the empirical mode decomposition. In addition, the complexity of wind speed and direction time series is also investigated using multiscale entropy and multivariate multiscale entropy. Results suggest that the simulated wind field in the multiple-fan wind tunnel has a high degree of similarity with the outdoor wind field.

Numerical simulation of large-scale field-aligned current generation from finite-amplitude magnetosonic waves

NASA Technical Reports Server (NTRS)

Yamauchi, M.

1994-01-01

A two-dimensional numerical simulation of finite-amplitude magnetohydrodynamic (MHD) magnetosonic waves is performed under a finite-velocity background convection condition. Isothermal cases are considered for simplicity. External dissipation is introduced by assuming that the field-aligned currents are generated in proportion to the accumulated charges. The simulation results are as follows: Paired field-aligned currents are found from the simulated waves. The flow directions of these field-aligned currents depend on the angle between the background convection and the wave normal, and hence two pairs of field-aligned currents are found from a bowed wave if we look at the overall structure. The majority of these field-aligned currents are closed within each pair rather than between two wings. These features are not observed under slow background convection. The result could be applied to the cusp current system and the substorm current system.

Gyrokinetic simulation of driftwave instability in field-reversed configuration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fulton, D. P., E-mail: dfulton@trialphaenergy.com; University of California, Irvine, California 92697; Lau, C. K.

2016-05-15

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realisticmore » pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.« less

Gyrokinetic simulation of driftwave instability in field-reversed configuration

NASA Astrophysics Data System (ADS)

Fulton, D. P.; Lau, C. K.; Schmitz, L.; Holod, I.; Lin, Z.; Tajima, T.; Binderbauer, M. W.

2016-05-01

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realistic pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.

Electron Acceleration in the Magnetotail during Substorms in Semi-Global PIC Simulations

NASA Astrophysics Data System (ADS)

Richard, R. L.; Schriver, D.; Ashour-Abdalla, M.; El-Alaoui, M.; Lapenta, G.; Walker, R. J.

2015-12-01

To understand the acceleration of electrons during a substorm reconnection event we have applied a semi-global particle in cell (PIC) simulation box embedded within a global magnetohydrodynamic (MHD) simulation of Earth's magnetosphere for an event on February 15, 2008. The MHD results were used to populate the PIC simulation and to set the boundary conditions. In the magnetotail we found that a series of dipolarizations formed due to unsteady reconnection. We also found that the most energetic electrons were in the separatrices far from the x-point. We attributed the acceleration to a streaming instability in the separatrices. To further understand electron acceleration we have applied the large scale kinetic (LSK) technique in which tens- to hundreds- of thousands of electrons are followed within the electric and magnetic fields from the PIC simulations., Electrons are already included in the PIC simulation, but the LSK simulations will allow selected individual particles to be followed and analyzed. Initially we performed electron LSK calculations in a two dimensional version of the PIC simulation in which electrons were allowed to move in the ignorable cross tail direction. These LSK calculations showed that electrons gained energy primarily for two reasons: (1) acceleration by the average dawn to dusk electric field and (2) acceleration by intense but localized electric field structures. The overall electron transport was more dawnward than duskward due to the average electric field. At the same time electrons typically moved away from the reconnection region in both the earthward and tailward directions. Superimposed on this large-scale transport was motion in both the dusk and dawn directions across the tail because of the electric field structures, which were particularly intense in the separatrices. LSK calculations are now being carried out by using the full three-dimensional magnetic and electric fields from the PIC simulation and these results will be compared with the two-dimensional results for the same substorm event.

Simulating the large-scale structure of HI intensity maps

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seehars, Sebastian; Paranjape, Aseem; Witzemann, Amadeus

Intensity mapping of neutral hydrogen (HI) is a promising observational probe of cosmology and large-scale structure. We present wide field simulations of HI intensity maps based on N-body simulations of a 2.6 Gpc / h box with 2048{sup 3} particles (particle mass 1.6 × 10{sup 11} M{sub ⊙} / h). Using a conditional mass function to populate the simulated dark matter density field with halos below the mass resolution of the simulation (10{sup 8} M{sub ⊙} / h < M{sub halo} < 10{sup 13} M{sub ⊙} / h), we assign HI to those halos according to a phenomenological halo to HI mass relation. The simulations span a redshift range of 0.35 ∼< z ∼< 0.9 in redshift bins of width Δ z ≈ 0.05 andmore » cover a quarter of the sky at an angular resolution of about 7'. We use the simulated intensity maps to study the impact of non-linear effects and redshift space distortions on the angular clustering of HI. Focusing on the autocorrelations of the maps, we apply and compare several estimators for the angular power spectrum and its covariance. We verify that these estimators agree with analytic predictions on large scales and study the validity of approximations based on Gaussian random fields, particularly in the context of the covariance. We discuss how our results and the simulated maps can be useful for planning and interpreting future HI intensity mapping surveys.« less

Field-scale simulation of chemical flooding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saad, N.

1989-01-01

A three-dimensional compositional chemical flooding simulator (UTCHEM) has been improved. The new mathematical formulation, boundary conditions, and a description of the physicochemical models of the simulator are presented. This improved simulator has been used for the study of the low tension pilot project at the Big Muddy field near Casper, Wyoming. Both the tracer injection conducted prior to the injection of the chemical slug, and the chemical flooding stages of the pilot project, have been analyzed. Not only the oil recovery but also the tracers, polymer, alcohol and chloride histories have been successfully matched with field results. Simulation results indicatemore » that, for this fresh water reservoir, the salinity gradient during the preflush and the resulting calcium pickup by the surfactant slug played a major role in the success of the project. In addition, analysis of the effects of the crossflow on the performance of the pilot project indicates that, for the well spacing of the pilot, crossflow does not play as important a role as it might for a large-scale project. To improve the numerical efficiency of the simulator, a third order convective differencing scheme has been applied to the simulator. This method can be used with non-uniform mesh, and therefore is suited for simulation studies of large-scale multiwell heterogeneous reservoirs. Comparison of the results with one and two dimensional analytical solutions shows that this method is effective in eliminating numerical dispersion using relatively large grid blocks. Results of one, two and three-dimensional miscible water/tracer flow, water flooding, polymer flooding, and micellar-polymer flooding test problems, and results of grid orientation studies, are presented.« less

Confinement of laser plasma expansion with strong external magnetic field

NASA Astrophysics Data System (ADS)

Tang, Hui-bo; Hu, Guang-yue; Liang, Yi-han; Tao, Tao; Wang, Yu-lin; Hu, Peng; Zhao, Bin; Zheng, Jian

2018-05-01

The evolutions of laser ablation plasma, expanding in strong (∼10 T) transverse external magnetic field, were investigated in experiments and simulations. The experimental results show that the magnetic field pressure causes the plasma decelerate and accumulate at the plasma-field interface, and then form a low-density plasma bubble. The saturation size of the plasma bubble has a scaling law on laser energy and magnetic field intensity. Magnetohydrodynamic simulation results support the observation and find that the scaling law (V max ∝ E p /B 2, where V max is the maximum volume of the plasma bubble, E p is the absorbed laser energy, and B is the magnetic field intensity) is effective in a broad laser energy range from several joules to kilo-joules, since the plasma is always in the state of magnetic field frozen while expanding. About 15% absorbed laser energy converts into magnetic field energy stored in compressed and curved magnetic field lines. The duration that the plasma bubble comes to maximum size has another scaling law t max ∝ E p 1/2/B 2. The plasma expanding dynamics in external magnetic field have a similar character with that in underdense gas, which indicates that the external magnetic field may be a feasible approach to replace the gas filled in hohlraum to suppress the wall plasma expansion and mitigate the stimulated scattering process in indirect drive ignition.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elber, Ron

Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances.

Effect of a pulsating electric field on ECR heating in the CERA-RX(C) X-ray generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balmashnov, A. A., E-mail: abalmashnov@sci.pfu.edu.ru; Kalashnikov, A. V.; Kalashnikov, V. V.

2016-03-15

3D particle-in-cell plasma simulations for the field configurations implemented in the CERA-RX(C) ECR X-ray generator (2.45 GHz) have been conducted. Dependences of the energy spectra of electrons incident on the target electrode on the amplitude and frequency of pulsations of the electric field in a megahertz range are derived. The simulation data are compared with the results of the full-scale experiment.

Thermal denaturing of mutant lysozyme with both the OPLSAA and the CHARMM force fields.

PubMed

Eleftheriou, Maria; Germain, Robert S; Royyuru, Ajay K; Zhou, Ruhong

2006-10-18

Biomolecular simulations enabled by massively parallel supercomputers such as BlueGene/L promise to bridge the gap between the currently accessible simulation time scale and the experimental time scale for many important protein folding processes. In this study, molecular dynamics simulations were carried out for both the wild-type and the mutant hen lysozyme (TRP62GLY) to study the single mutation effect on lysozyme stability and misfolding. Our thermal denaturing simulations at 400-500 K with both the OPLSAA and the CHARMM force fields show that the mutant structure is indeed much less stable than the wild-type, which is consistent with the recent urea denaturing experiment (Dobson et al. Science 2002, 295, 1719-1722; Nature 2003, 424, 783-788). Detailed results also reveal that the single mutation TRP62GLY first induces the loss of native contacts in the beta-domain region of the lysozyme protein at high temperatures, and then the unfolding process spreads into the alpha-domain region through Helix C. Even though the OPLSAA force field in general shows a more stable protein structure than does the CHARMM force field at high temperatures, the two force fields examined here display qualitatively similar results for the misfolding process, indicating that the thermal denaturing of the single mutation is robust and reproducible with various modern force fields.

Enhancing the Spectral Hardening of Cosmic TeV Photons by Mixing with Axionlike Particles in the Magnetized Cosmic Web.

PubMed

Montanino, Daniele; Vazza, Franco; Mirizzi, Alessandro; Viel, Matteo

2017-09-08

Large-scale extragalactic magnetic fields may induce conversions between very-high-energy photons and axionlike particles (ALPs), thereby shielding the photons from absorption on the extragalactic background light. However, in simplified "cell" models, used so far to represent extragalactic magnetic fields, this mechanism would be strongly suppressed by current astrophysical bounds. Here we consider a recent model of extragalactic magnetic fields obtained from large-scale cosmological simulations. Such simulated magnetic fields would have large enhancement in the filaments of matter. As a result, photon-ALP conversions would produce a significant spectral hardening for cosmic TeV photons. This effect would be probed with the upcoming Cherenkov Telescope Array detector. This possible detection would give a unique chance to perform a tomography of the magnetized cosmic web with ALPs.

Harnessing Big Data to Represent 30-meter Spatial Heterogeneity in Earth System Models

NASA Astrophysics Data System (ADS)

Chaney, N.; Shevliakova, E.; Malyshev, S.; Van Huijgevoort, M.; Milly, C.; Sulman, B. N.

2016-12-01

Terrestrial land surface processes play a critical role in the Earth system; they have a profound impact on the global climate, food and energy production, freshwater resources, and biodiversity. One of the most fascinating yet challenging aspects of characterizing terrestrial ecosystems is their field-scale (˜30 m) spatial heterogeneity. It has been observed repeatedly that the water, energy, and biogeochemical cycles at multiple temporal and spatial scales have deep ties to an ecosystem's spatial structure. Current Earth system models largely disregard this important relationship leading to an inadequate representation of ecosystem dynamics. In this presentation, we will show how existing global environmental datasets can be harnessed to explicitly represent field-scale spatial heterogeneity in Earth system models. For each macroscale grid cell, these environmental data are clustered according to their field-scale soil and topographic attributes to define unique sub-grid tiles. The state-of-the-art Geophysical Fluid Dynamics Laboratory (GFDL) land model is then used to simulate these tiles and their spatial interactions via the exchange of water, energy, and nutrients along explicit topographic gradients. Using historical simulations over the contiguous United States, we will show how a robust representation of field-scale spatial heterogeneity impacts modeled ecosystem dynamics including the water, energy, and biogeochemical cycles as well as vegetation composition and distribution.

Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Thompson, Aidan; Shan, Tzu-Ray; Yarrington, Cole; Wixom, Ryan

We report on the effect of isolated voids and pairs of nearby voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock loading. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating in HNS crystal along the [010] orientation are performed (up = 1.25 km/s, Us =4.0 km/s, P = 11GPa.) We compare the effect on hot spot formation and growth rate of isolated cylindrical voids up to 0.1 µm in size with that of two 50nm voids set 100nm apart. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lock- heed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Formation and field-driven dynamics of nematic spheroids.

PubMed

Fu, Fred; Abukhdeir, Nasser Mohieddin

2017-07-19

Unlike the canonical application of liquid crystals (LCs), LC displays, emerging technologies based on LC materials are increasingly leveraging the presence of nanoscale defects. The inherent nanoscale characteristics of LC defects present both significant opportunities as well as barriers for the application of this fascinating class of materials. Simulation-based approaches to the study of the effects of confinement and interface anchoring conditions on LC domains has resulted in significant progress over the past decade, where simulations are now able to access experimentally-relevant length scales while simultaneously capturing nanoscale defect structures. In this work, continuum simulations were performed in order to study the dynamics of micron-scale nematic LC spheroids of varying shape. Nematic spheroids are one of the simplest inherently defect-containing LC structures and are relevant to polymer-dispersed LC-based "smart" window technology. Simulation results include nematic phase formation and external field-switching dynamics of nematic spheroids ranging in shape from oblate to prolate. Results include both qualitative and quantitative insight into the complex coupling of nanoscale defect dynamics and structure transitions to micron-scale reorientation. Dynamic mechanisms are presented and related to structural transitions in LC defects present in the nematic domain. Domain-averaged metrics including order parameters and response times are determined for a range of experimentally-accessible electric field strengths. These results have both fundamental and technological relevance, in that increased understanding of LC dynamics in the presence of defects is a key barrier to continued advancement in the field.

Groundwater flow associated with coalbed gas production, Ferron Sandstone, east-central Utah

USGS Publications Warehouse

Anna, L.O.

2003-01-01

The flow and distribution of water associated with coalbed gas production in the Ferron Sandstone was characterized utilizing a discrete fracture network model and a porous media model. A discrete fracture network model calculated fluid flux through volumes of various scales to determine scale effects, directional bulk permeability, and connectivity. The mean directional permeabilities varied by less than a factor of 6, with the northwest-southeast direction (face cleat direction) as the most conductive. Northwest southeast directed hydrofracture simulations increased permeability in all directions except the northeast-southwest, although the permeability increase was not more than a factor of 3. Cluster analysis showed that the simulated cleat network was very well connected at all simulated scales. For thick coals, the entire cleat network formed one compartment, whereas thin coals formed several compartments. Convex hulls of the compartments confirmed that the directional bulk permeability was nearly isotropic. Volumetric calculations of the Ferron coal indicated that all the water produced to date can be accounted for from the coal cleat porosity system and does not depend on contributions of water from contiguous units.Flow paths, determined from porous media modeling from recharge to discharge, indicate that the three coalbed gas (CBG) fields assessed in this study could have different groundwater chemical compositions as confirmed by geochemical data. Simulated water production from 185 wells from 1993 to 1998 showed that in 1998 the maximum head drawdown from the Drunkards Wash field was more than 365 m, and the cone of depression extended to within a short distance of the Ferron outcrop. Maximum drawdown in the Helper field was 120 m, and the maximum drawdown in the Buzzards Bench field was just over 60 m. The cone of depression for the Helper field was half the size of the Drunkards Wash field, and the cone of depression for the Buzzards Bench field was limited to just outside the field unit. Water budget calculations from the simulation indicate that none of the stream flows are affected by coalbed gas associated water production. ?? 2003 Elsevier B.V. All rights reserved.

Sensitivity of simulated conservation practice effectiveness to representation of field and in-stream processes in the Little River Watershed

USDA-ARS?s Scientific Manuscript database

Evaluating the effectiveness of conservation practices (CPs) is an important step to achieving efficient and successful water quality management. Watershed-scale simulation models can provide useful and convenient tools for this evaluation, but simulated conservation practice effectiveness should be...

SOLAR WIND TURBULENCE FROM MHD TO SUB-ION SCALES: HIGH-RESOLUTION HYBRID SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franci, Luca; Verdini, Andrea; Landi, Simone

2015-05-10

We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and themore » parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.« less

Solar Wind Turbulence from MHD to Sub-ion Scales: High-resolution Hybrid Simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Verdini, Andrea; Matteini, Lorenzo; Landi, Simone; Hellinger, Petr

2015-05-01

We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and the parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.

A field study of wind over a simulated block building

NASA Technical Reports Server (NTRS)

Frost, W.; Shahabi, A. M.

1977-01-01

A full-scale field study of the wind over a simulated two-dimensional building is reported. The study develops an experiment to investigate the structure and magnitude of the wind fields. A description of the experimental arrangement, the type and expected accuracy of the data, and the range of the data are given. The data are expected to provide a fundamental understanding of mean wind and turbulence structure of the wind field around the bluff body. Preliminary analysis of the data demonstrates the reliability and completeness of the data in this regard.

Thermodynamic properties for applications in chemical industry via classical force fields.

PubMed

Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

2012-01-01

Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

Scaling between reanalyses and high-resolution land-surface modelling in mountainous areas - enabling better application and testing of reanalyses in heterogeneous environments

NASA Astrophysics Data System (ADS)

Gruber, S.; Fiddes, J.

2013-12-01

In mountainous topography, the difference in scale between atmospheric reanalyses (typically tens of kilometres) and relevant processes and phenomena near the Earth surface, such as permafrost or snow cover (meters to tens of meters) is most obvious. This contrast of scales is one of the major obstacles to using reanalysis data for the simulation of surface phenomena and to confronting reanalyses with independent observation. At the example of modelling permafrost in mountain areas (but simple to generalise to other phenomena and heterogeneous environments), we present and test methods against measurements for (A) scaling atmospheric data from the reanalysis to the ground level and (B) smart sampling of the heterogeneous landscape in order to set up a lumped model simulation that represents the high-resolution land surface. TopoSCALE (Part A, see http://dx.doi.org/10.5194/gmdd-6-3381-2013) is a scheme, which scales coarse-grid climate fields to fine-grid topography using pressure level data. In addition, it applies necessary topographic corrections e.g. those variables required for computation of radiation fields. This provides the necessary driving fields to the LSM. Tested against independent ground data, this scheme has been shown to improve the scaling and distribution of meteorological parameters in complex terrain, as compared to conventional methods, e.g. lapse rate based approaches. TopoSUB (Part B, see http://dx.doi.org/10.5194/gmd-5-1245-2012) is a surface pre-processor designed to sample a fine-grid domain (defined by a digital elevation model) along important topographical (or other) dimensions through a clustering scheme. This allows constructing a lumped model representing the main sources of fine-grid variability and applying a 1D LSM efficiently over large areas. Results can processed to derive (i) summary statistics at coarse-scale re-analysis grid resolution, (ii) high-resolution data fields spatialized to e.g., the fine-scale digital elevation model grid, or (iii) validation products for locations at which measurements exist, only. The ability of TopoSUB to approximate results simulated by a 2D distributed numerical LSM at a factor of ~10,000 less computations is demonstrated by comparison of 2D and lumped simulations. Successful application of the combined scheme in the European Alps is reported and based on its results, open issues for future research are outlined.

Simulating urban-scale air pollutants and their predicting capabilities over the Seoul metropolitan area.

PubMed

Park, Il-Soo; Lee, Suk-Jo; Kim, Cheol-Hee; Yoo, Chul; Lee, Yong-Hee

2004-06-01

Urban-scale air pollutants for sulfur dioxide, nitrogen dioxide, particulate matter with aerodynamic diameter > or = 10 microm, and ozone (O3) were simulated over the Seoul metropolitan area, Korea, during the period of July 2-11, 2002, and their predicting capabilities were discussed. The Air Pollution Model (TAPM) and the highly disaggregated anthropogenic and the biogenic gridded emissions (1 km x 1 km) recently prepared by the Korean Ministry of Environment were applied. Wind fields with observational nudging in the prognostic meteorological model TAPM are optionally adopted to comparatively examine the meteorological impact on the prediction capabilities of urban-scale air pollutants. The result shows that the simulated concentrations of secondary air pollutant largely agree with observed levels with an index of agreement (IOA) of >0.6, whereas IOAs of approximately 0.4 are found for most primary pollutants in the major cities, reflecting the quality of emission data in the urban area. The observationally nudged wind fields with higher IOAs have little effect on the prediction for both primary and secondary air pollutants, implying that the detailed wind field does not consistently improve the urban air pollution model performance if emissions are not well specified. However, the robust highest concentrations are better described toward observations by imposing observational nudging, suggesting the importance of wind fields for the predictions of extreme concentrations such as robust highest concentrations, maximum levels, and >90th percentiles of concentrations for both primary and secondary urban-scale air pollutants.

Cosmicflows Constrained Local UniversE Simulations

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Courtois, Helene M.; Steinmetz, Matthias; Tully, R. Brent; Pomarède, Daniel; Carlesi, Edoardo

2016-01-01

This paper combines observational data sets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. The latter are excellent laboratories for studies of the non-linear process of structure formation in our neighbourhood. With measurements of radial peculiar velocities in the local Universe (cosmicflows-2) and a newly developed technique, we produce Constrained Local UniversE Simulations (CLUES). To assess the quality of these constrained simulations, we compare them with random simulations as well as with local observations. The cosmic variance, defined as the mean one-sigma scatter of cell-to-cell comparison between two fields, is significantly smaller for the constrained simulations than for the random simulations. Within the inner part of the box where most of the constraints are, the scatter is smaller by a factor of 2 to 3 on a 5 h-1 Mpc scale with respect to that found for random simulations. This one-sigma scatter obtained when comparing the simulated and the observation-reconstructed velocity fields is only 104 ± 4 km s-1, I.e. the linear theory threshold. These two results demonstrate that these simulations are in agreement with each other and with the observations of our neighbourhood. For the first time, simulations constrained with observational radial peculiar velocities resemble the local Universe up to a distance of 150 h-1 Mpc on a scale of a few tens of megaparsecs. When focusing on the inner part of the box, the resemblance with our cosmic neighbourhood extends to a few megaparsecs (<5 h-1 Mpc). The simulations provide a proper large-scale environment for studies of the formation of nearby objects.

A new solver for granular avalanche simulation: Indoor experiment verification and field scale case study

NASA Astrophysics Data System (ADS)

Wang, XiaoLiang; Li, JiaChun

2017-12-01

A new solver based on the high-resolution scheme with novel treatments of source terms and interface capture for the Savage-Hutter model is developed to simulate granular avalanche flows. The capability to simulate flow spread and deposit processes is verified through indoor experiments of a two-dimensional granular avalanche. Parameter studies show that reduction in bed friction enhances runout efficiency, and that lower earth pressure restraints enlarge the deposit spread. The April 9, 2000, Yigong avalanche in Tibet, China, is simulated as a case study by this new solver. The predicted results, including evolution process, deposit spread, and hazard impacts, generally agree with site observations. It is concluded that the new solver for the Savage-Hutter equation provides a comprehensive software platform for granular avalanche simulation at both experimental and field scales. In particular, the solver can be a valuable tool for providing necessary information for hazard forecasts, disaster mitigation, and countermeasure decisions in mountainous areas.

Stochastic simulation of uranium migration at the Hanford 300 Area.

PubMed

Hammond, Glenn E; Lichtner, Peter C; Rockhold, Mark L

2011-03-01

This work focuses on the quantification of groundwater flow and subsequent U(VI) transport uncertainty due to heterogeneity in the sediment permeability at the Hanford 300 Area. U(VI) migration at the site is simulated with multiple realizations of stochastically-generated high resolution permeability fields and comparisons are made of cumulative water and U(VI) flux to the Columbia River. The massively parallel reactive flow and transport code PFLOTRAN is employed utilizing 40,960 processor cores on DOE's petascale Jaguar supercomputer to simultaneously execute 10 transient, variably-saturated groundwater flow and U(VI) transport simulations within 3D heterogeneous permeability fields using the code's multi-realization simulation capability. Simulation results demonstrate that the cumulative U(VI) flux to the Columbia River is less responsive to fine scale heterogeneity in permeability and more sensitive to the distribution of permeability within the river hyporheic zone and mean permeability of larger-scale geologic structures at the site. Copyright © 2010 Elsevier B.V. All rights reserved.

Next Generation Extended Lagrangian Quantum-based Molecular Dynamics

NASA Astrophysics Data System (ADS)

Negre, Christian

2017-06-01

A new framework for extended Lagrangian first-principles molecular dynamics simulations is presented, which overcomes shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while maintaining important advantages of the unified extended Lagrangian formulation of density functional theory pioneered by Car and Parrinello three decades ago. The new framework allows, for the first time, energy conserving, linear-scaling Born-Oppenheimer molecular dynamics simulations, which is necessary to study larger and more realistic systems over longer simulation times than previously possible. Expensive, self-consinstent-field optimizations are avoided and normal integration time steps of regular, direct Born-Oppenheimer molecular dynamics can be used. Linear scaling electronic structure theory is presented using a graph-based approach that is ideal for parallel calculations on hybrid computer platforms. For the first time, quantum based Born-Oppenheimer molecular dynamics simulation is becoming a practically feasible approach in simulations of +100,000 atoms-representing a competitive alternative to classical polarizable force field methods. In collaboration with: Anders Niklasson, Los Alamos National Laboratory.

Modeling of Mutiscale Electromagnetic Magnetosphere-Ionosphere Interactions near Discrete Auroral Arcs Observed by the MICA Sounding Rocket

NASA Astrophysics Data System (ADS)

Streltsov, A. V.; Lynch, K. A.; Fernandes, P. A.; Miceli, R.; Hampton, D. L.; Michell, R. G.; Samara, M.

2012-12-01

The MICA (Magnetosphere-Ionosphere Coupling in the Alfvén Resonator) sounding rocket was launched from Poker Flat on February 19, 2012. The rocket was aimed into the system of discrete auroral arcs and during its flight it detected small-scale electromagnetic disturbances with characteristic features of dispersive Alfvén waves. We report results from numerical modeling of these observations. Our simulations are based on a two-fluid MHD model describing multi-scale interactions between magnetic field-aligned currents carried by shear Alfven waves and the ionosphere. The results from our simulations suggest that the small-scale electromagnetic structures measured by MICA indeed can be interpreted as dispersive Alfvén waves generated by the active ionospheric response (ionopspheric feedback instability) inside the large-scale downward magnetic field-aligned current interacting with the ionosphere.

Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.

PubMed

Heinz, Hendrik; Ramezani-Dakhel, Hadi

2016-01-21

Natural and man-made materials often rely on functional interfaces between inorganic and organic compounds. Examples include skeletal tissues and biominerals, drug delivery systems, catalysts, sensors, separation media, energy conversion devices, and polymer nanocomposites. Current laboratory techniques are limited to monitor and manipulate assembly on the 1 to 100 nm scale, time-consuming, and costly. Computational methods have become increasingly reliable to understand materials assembly and performance. This review explores the merit of simulations in comparison to experiment at the 1 to 100 nm scale, including connections to smaller length scales of quantum mechanics and larger length scales of coarse-grain models. First, current simulation methods, advances in the understanding of chemical bonding, in the development of force fields, and in the development of chemically realistic models are described. Then, the recognition mechanisms of biomolecules on nanostructured metals, semimetals, oxides, phosphates, carbonates, sulfides, and other inorganic materials are explained, including extensive comparisons between modeling and laboratory measurements. Depending on the substrate, the role of soft epitaxial binding mechanisms, ion pairing, hydrogen bonds, hydrophobic interactions, and conformation effects is described. Applications of the knowledge from simulation to predict binding of ligands and drug molecules to the inorganic surfaces, crystal growth and shape development, catalyst performance, as well as electrical properties at interfaces are examined. The quality of estimates from molecular dynamics and Monte Carlo simulations is validated in comparison to measurements and design rules described where available. The review further describes applications of simulation methods to polymer composite materials, surface modification of nanofillers, and interfacial interactions in building materials. The complexity of functional multiphase materials creates opportunities to further develop accurate force fields, including reactive force fields, and chemically realistic surface models, to enable materials discovery at a million times lower computational cost compared to quantum mechanical methods. The impact of modeling and simulation could further be increased by the advancement of a uniform simulation platform for organic and inorganic compounds across the periodic table and new simulation methods to evaluate system performance in silico.

Particle-in-cell studies of fast-ion slowing-down rates in cool tenuous magnetized plasma

NASA Astrophysics Data System (ADS)

Evans, Eugene S.; Cohen, Samuel A.; Welch, Dale R.

2018-04-01

We report on 3D-3V particle-in-cell simulations of fast-ion energy-loss rates in a cold, weakly-magnetized, weakly-coupled plasma where the electron gyroradius, ρe, is comparable to or less than the Debye length, λDe, and the fast-ion velocity exceeds the electron thermal velocity, a regime in which the electron response may be impeded. These simulations use explicit algorithms, spatially resolve ρe and λDe, and temporally resolve the electron cyclotron and plasma frequencies. For mono-energetic dilute fast ions with isotropic velocity distributions, these scaling studies of the slowing-down time, τs, versus fast-ion charge are in agreement with unmagnetized slowing-down theory; with an applied magnetic field, no consistent anisotropy between τs in the cross-field and field-parallel directions could be resolved. Scaling the fast-ion charge is confirmed as a viable way to reduce the required computational time for each simulation. The implications of these slowing down processes are described for one magnetic-confinement fusion concept, the small, advanced-fuel, field-reversed configuration device.

IMPRINTS OF EXPANSION ON THE LOCAL ANISOTROPY OF SOLAR WIND TURBULENCE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Verdini, Andrea; Grappin, Roland

2015-08-01

We study the anisotropy of II-order structure functions (SFs) defined in a frame attached to the local mean field in three-dimensional (3D) direct numerical simulations of magnetohydrodynamic turbulence, with the solar wind expansion both included and not included. We simulate spacecraft flybys through the numerical domain by taking increments along the radial (wind) direction that form an angle of 45° with the ambient magnetic field. We find that only when expansion is taken into account do the synthetic observations match the 3D anisotropy observed in the solar wind, including the change of anisotropy with scale. Our simulations also show thatmore » the anisotropy changes dramatically when considering increments oblique to the radial directions. Both results can be understood by noting that expansion reduces the radial component of the magnetic field at all scales, thus confining fluctuations in the plane perpendicular to the radial. Expansion is thus shown to affect not only the (global) spectral anisotropy, but also the local anisotropy of second-order SF by influencing the distribution of the local mean field, which enters this higher-order statistics.« less

Particle Acceleration in a Statistically Modeled Solar Active-Region Corona

NASA Astrophysics Data System (ADS)

Toutounzi, A.; Vlahos, L.; Isliker, H.; Dimitropoulou, M.; Anastasiadis, A.; Georgoulis, M.

2013-09-01

Elaborating a statistical approach to describe the spatiotemporally intermittent electric field structures formed inside a flaring solar active region, we investigate the efficiency of such structures in accelerating charged particles (electrons). The large-scale magnetic configuration in the solar atmosphere responds to the strong turbulent flows that convey perturbations across the active region by initiating avalanche-type processes. The resulting unstable structures correspond to small-scale dissipation regions hosting strong electric fields. Previous research on particle acceleration in strongly turbulent plasmas provides a general framework for addressing such a problem. This framework combines various electromagnetic field configurations obtained by magnetohydrodynamical (MHD) or cellular automata (CA) simulations, or by employing a statistical description of the field's strength and configuration with test particle simulations. Our objective is to complement previous work done on the subject. As in previous efforts, a set of three probability distribution functions describes our ad-hoc electromagnetic field configurations. In addition, we work on data-driven 3D magnetic field extrapolations. A collisional relativistic test-particle simulation traces each particle's guiding center within these configurations. We also find that an interplay between different electron populations (thermal/non-thermal, ambient/injected) in our simulations may also address, via a re-acceleration mechanism, the so called `number problem'. Using the simulated particle-energy distributions at different heights of the cylinder we test our results against observations, in the framework of the collisional thick target model (CTTM) of solar hard X-ray (HXR) emission. The above work is supported by the Hellenic National Space Weather Research Network (HNSWRN) via the THALIS Programme.

CO 2 leakage impacts on shallow groundwater. Field-scale reactive-transport simulations informed by observations at a natural analog site

DOE PAGES

Keating, Elizabeth H.; Hakala, J. Alexandra; Viswanathan, Hari; ...

2013-03-01

It is challenging to predict the degree to which shallow groundwater might be affected by leaks from a CO 2 sequestration reservoir, particularly over long time scales and large spatial scales. In this study observations at a CO 2 enriched shallow aquifer natural analog were used to develop a predictive model which is then used to simulate leakage scenarios. This natural analog provides the opportunity to make direct field observations of groundwater chemistry in the presence of elevated CO 2, to collect aquifer samples and expose them to CO 2 under controlled conditions in the laboratory, and to test themore » ability of multiphase reactive transport models to reproduce measured geochemical trends at the field-scale. The field observations suggest that brackish water entrained with the upwelling CO 2 are a more significant source of trace metals than in situ mobilization of metals due to exposure to CO 2. The study focuses on a single trace metal of concern at this site: U. Experimental results indicate that cation exchange/adsorption and dissolution/precipitation of calcite containing trace amounts of U are important reactions controlling U in groundwater at this site, and that the amount of U associated with calcite is fairly well constrained. Simulations incorporating these results into a 3-D multi-phase reactive transport model are able to reproduce the measured ranges and trends between pH, pCO 2, Ca, total C, U and Cl -at the field site. Although the true fluxes at the natural analog site are unknown, the cumulative CO 2 flux inferred from these simulations are approximately equivalent to 37.8E-3 MT, approximately corresponding to a .001% leak rate for injection at a large (750 MW) power plant. The leakage scenario simulations suggest that if the leak only persists for a short time the volume of aquifer contaminated by CO 2-induced mobilization of U will be relatively small, yet persistent over 100 a.« less

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

DOE PAGES

Pandey, Sachin; Rajaram, Harihar

2016-12-05

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces andmore » corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.« less

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandey, Sachin; Rajaram, Harihar

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces andmore » corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.« less

DOUBLE DYNAMO SIGNATURES IN A GLOBAL MHD SIMULATION AND MEAN-FIELD DYNAMOS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beaudoin, Patrice; Simard, Corinne; Cossette, Jean-François

The 11 year solar activity cycle is the most prominent periodic manifestation of the magnetohydrodynamical (MHD) large-scale dynamo operating in the solar interior, yet longer and shorter (quasi-) periodicities are also present. The so-called “quasi-biennial” signal appearing in many proxies of solar activity has been gaining increasing attention since its detection in p -mode frequency shifts, which suggests a subphotospheric origin. A number of candidate mechanisms have been proposed, including beating between co-existing global dynamo modes, dual dynamos operating in spatially separated regions of the solar interior, and Rossby waves driving short-period oscillations in the large-scale solar magnetic field producedmore » by the 11 year activity cycle. In this article, we analyze a global MHD simulation of solar convection producing regular large-scale magnetic cycles, and detect and characterize shorter periodicities developing therein. By constructing kinematic mean-field α {sup 2}Ω dynamo models incorporating the turbulent electromotive force (emf) extracted from that same simulation, we find that dual-dynamo behavior materializes in fairly wide regions of the model’s parameters space. This suggests that the origin of the similar behavior detected in the MHD simulation lies with the joint complexity of the turbulent emf and differential rotation profile, rather that with dynamical interactions such as those mediated by Rossby waves. Analysis of the simulation also reveals that the dual dynamo operating therein leaves a double-period signature in the temperature field, consistent with a dual-period helioseismic signature. Order-of-magnitude estimates for the magnitude of the expected frequency shifts are commensurate with helioseismic measurements. Taken together, our results support the hypothesis that the solar quasi-biennial oscillations are associated with a secondary dynamo process operating in the outer reaches of the solar convection zone.« less

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Scaling Properties of Particle Density Fields Formed in Simulated Turbulent Flows

NASA Technical Reports Server (NTRS)

Hogan, Robert C.; Cuzzi, Jeffrey N.; Dobrovolskis, Anthony R.; DeVincenzi, Donald (Technical Monitor)

1998-01-01

Direct numerical simulations (DNS) of particle concentrations in fully developed 3D turbulence were carried out in order to study the nonuniform structure of the particle density field. Three steady-state turbulent fluid fields with Taylor microscale Reynolds numbers (Re(sub lambda)) of 40, 80 and 140 were generated by solving the Navier-Stokes equations with pseudospectral methods. Large scale forcing was used to drive the turbulence and maintain temporal stationarity. The response of the particles to the fluid was parameterized by the particle Stokes number St, defined as the ratio of the particle's stopping time to the mean period of eddies on the Kolmogorov scale (eta). In this paper, we consider only passive particles optimally coupled to these eddies (St approx. = 1) because of their tendency to concentrate more than particles with lesser or greater St values. The trajectories of up to 70 million particles were tracked in the equilibrated turbulent flows until the particle concentration field reached a statistically stationary state. The nonuniform structure of the concentration fields was characterized by the multifractal singularity spectrum, f(alpha), derived from measures obtained after binning particles into cells ranging from 2(eta) to 15(eta) in size. We observed strong systematic variations of f(alpha) across this scale range in all three simulations and conclude that the particle concentration field is not statistically self similar across the scale range explored. However, spectra obtained at the 2(eta), 4(eta), and 8(eta) scales of each flow case were found to be qualitatively similar. This result suggests that the local structure of the particle concentration field may be flow-Independent. The singularity spectra found for 2n-sized cells were used to predict concentration distributions in good agreement with those obtained directly from the particle data. This Singularity spectrum has a shape similar to the analogous spectrum derived for the inertial-range energy dissipation fields of experimental turbulent flows at Re(sub lambda) = 110 and 1100. Based on this agreement, and the expectation that both dissipation and particle concentration are controlled by the same cascade process, we hypothesize that singularity spectra similar to the ones found in this work provide a good characterization of the spatially averaged statistical properties of preferentially concentrated particles in higher Re(sub lambda) turbulent flows.

Evaluation of a micro-scale wind model's performance over realistic building clusters using wind tunnel experiments

NASA Astrophysics Data System (ADS)

Zhang, Ning; Du, Yunsong; Miao, Shiguang; Fang, Xiaoyi

2016-08-01

The simulation performance over complex building clusters of a wind simulation model (Wind Information Field Fast Analysis model, WIFFA) in a micro-scale air pollutant dispersion model system (Urban Microscale Air Pollution dispersion Simulation model, UMAPS) is evaluated using various wind tunnel experimental data including the CEDVAL (Compilation of Experimental Data for Validation of Micro-Scale Dispersion Models) wind tunnel experiment data and the NJU-FZ experiment data (Nanjing University-Fang Zhuang neighborhood wind tunnel experiment data). The results show that the wind model can reproduce the vortexes triggered by urban buildings well, and the flow patterns in urban street canyons and building clusters can also be represented. Due to the complex shapes of buildings and their distributions, the simulation deviations/discrepancies from the measurements are usually caused by the simplification of the building shapes and the determination of the key zone sizes. The computational efficiencies of different cases are also discussed in this paper. The model has a high computational efficiency compared to traditional numerical models that solve the Navier-Stokes equations, and can produce very high-resolution (1-5 m) wind fields of a complex neighborhood scale urban building canopy (~ 1 km ×1 km) in less than 3 min when run on a personal computer.

Effects of reaction control system jet flow field interactions on the aerodynamic characteristics of a 0.010-scale space shuttle orbiter model in the Langley Research Center 31 inch CFHT (OA85)

NASA Technical Reports Server (NTRS)

Daileda, J. J.; Marroquin, J.

1974-01-01

An experimental investigation was conducted to obtain detailed effects on supersonic vehicle hypersonic aerodynamic and stability and control characteristics of reaction control system jet flow field interactions with the local vehicle flow field. A 0.010-scale model was used. Six-component force data and wing, elevon, and body flap surface pressure data were obtained through an angle-of-attack range of -10 to +35 degrees with 0 deg angle of sideslip. The test was conducted with yaw, pitch and roll jet simulation at a free-stream Mach number of 10.3 and reaction control system plume simulation of flight dynamic pressures of 5, 10 and 20 PSF.

Large-Eddy Simulation of Wind-Plant Aerodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Churchfield, M. J.; Lee, S.; Moriarty, P. J.

In this work, we present results of a large-eddy simulation of the 48 multi-megawatt turbines composing the Lillgrund wind plant. Turbulent inflow wind is created by performing an atmospheric boundary layer precursor simulation, and turbines are modeled using a rotating, variable-speed actuator line representation. The motivation for this work is that few others have done large-eddy simulations of wind plants with a substantial number of turbines, and the methods for carrying out the simulations are varied. We wish to draw upon the strengths of the existing simulations and our growing atmospheric large-eddy simulation capability to create a sound methodology formore » performing this type of simulation. We used the OpenFOAM CFD toolbox to create our solver. The simulated time-averaged power production of the turbines in the plant agrees well with field observations, except with the sixth turbine and beyond in each wind-aligned. The power produced by each of those turbines is overpredicted by 25-40%. A direct comparison between simulated and field data is difficult because we simulate one wind direction with a speed and turbulence intensity characteristic of Lillgrund, but the field observations were taken over a year of varying conditions. The simulation shows the significant 60-70% decrease in the performance of the turbines behind the front row in this plant that has a spacing of 4.3 rotor diameters in this direction. The overall plant efficiency is well predicted. This work shows the importance of using local grid refinement to simultaneously capture the meter-scale details of the turbine wake and the kilometer-scale turbulent atmospheric structures. Although this work illustrates the power of large-eddy simulation in producing a time-accurate solution, it required about one million processor-hours, showing the significant cost of large-eddy simulation.« less

Observations of Hall Reconnection Physics Far Downstream of the X Line.

PubMed

Mistry, R; Eastwood, J P; Haggerty, C C; Shay, M A; Phan, T D; Hietala, H; Cassak, P A

2016-10-28

Observations made using the Wind spacecraft of Hall magnetic fields in solar wind reconnection exhausts are presented. These observations are consistent with the generation of Hall fields by a narrow ion inertial scale current layer near the separatrix, which is confirmed with an appropriately scaled particle-in-cell simulation that shows excellent agreement with observations. The Hall fields are observed thousands of ion inertial lengths downstream from the reconnection X line, indicating that narrow regions of kinetic dynamics can persist extremely far downstream.

LNG vapor barrier and obstacle evaluation: Wind-tunnel simulation of 1987 Falcon Spill Series. Final report, July 1987-February 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, S.H.; Meroney, R.N.; Neff, D.E.

1991-03-01

Measurements of the behavior of simulated liquefied natural gas clouds dispersing over small-scale model placed in environmental wind tunnels permits evaluations of the fluid physics of dense cloud movement and dispersion in a controlled environment. A large data base on the interaction of simulated LNG plumes with the Falcon test configuration of vapor barrier fences and vortex generators was obtained. The purpose of the reported test program is to provide post-field-spill wind tunnel experiments to augment the LNG Vapor Fence Field Program data obtained during the Falcon Test Series in 1987. The goal of the program is to determine themore » probable response of a dense LNG Vapor cloud to vortex inducer obstacles and fences, examine the sensitivity of results to various scaling arguments which might augment limit, or extend the value of the field and wind-tunnel tests, and identify important details of the spill behavior which were not predicted during the pretest planning phase.« less

Simulations of Heterogeneous Detonations and Post Detonation Turbulent Mixing and Afterburning

NASA Astrophysics Data System (ADS)

Menon, Suresh; Gottiparthi, Kalyana

2011-06-01

Most metal-loaded explosives and thermobaric explosives exploit the afterburning of metals to maintain pressure and temperature conditions.The use of such explosives in complex environment can result in post detonation flow containing many scales of vortical motion, flow jetting and shear, as well as plume-surface interactions due to flow impingement and wall flows. In general, all these interactions can lead to highly turbulent flow fields even if the initial ambient conditions were quiescent. Thus, turbulent mixing can dominate initial mixing and impact the final afterburn. We conduct three-dimensional numerical simulations of the propagation of detonation resulting from metal-loaded (inert or reacting) explosives and analyze the afterburn process as well as the generation of multiple scales of mixing in the post detonation flow field. Impact of the detonation and post-detonation flow field on solid surface is also considered for a variety of initial conditions. Comparison with available data is carried out to demonstrate validity of the simulation method. Supported by Defense Threat Reduction Agency

Direct numerical simulations of magmatic differentiation at the microscopic scale

NASA Astrophysics Data System (ADS)

Sethian, J.; Suckale, J.; Elkins-Tanton, L. T.

2010-12-01

A key question in the context of magmatic differentiation and fractional crystallization is the ability of crystals to decouple from the ambient fluid and sink or rise. Field data indicates a complex spectrum of behavior ranging from rapid sedimentation to continued entrainment. Theoretical and laboratory studies paint a similarly rich picture. The goal of this study is to provide a detailed numerical assessment of the competing effects of sedimentation and entrainment at the scale of individual crystals. The decision to simulate magmatic differentiation at the grain scale comes at the price of not being able to simultaneously solve for the convective velocity field at the macroscopic scale, but has the crucial advantage of enabling us to fully resolve the dynamics of the systems from first principles without requiring any simplifying assumptions. The numerical approach used in this study is a customized computational methodology developed specifically for simulations of solid-fluid coupling in geophysical systems. The algorithm relies on a two-step projection scheme: In the first step, we solve the multiple-phase Navier-Stokes or Stokes equation in both domains. In the second step, we project the velocity field in the solid domain onto a rigid-body motion by enforcing that the deformation tensor in the respective domain is zero. This procedure is also used to enforce the no-slip boundary-condition on the solid-fluid interface. We have extensively validated and benchmarked the method. Our preliminary results indicate that, not unexpectedly, the competing effects of sedimentation and entrainment depend sensitively on the size distribution of the crystals, the aspect ratio of individual crystals and the vigor of the ambient flow field. We provide a detailed scaling analysis and quantify our results in terms of the relevant non-dimensional numbers.

SPATIAL DISTRIBUTION OF PAIR PRODUCTION OVER THE PULSAR POLAR CAP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belyaev, Mikhail A.; Parfrey, Kyle, E-mail: mbelyaev@berkeley.edu

2016-10-20

Using an analytic, axisymmetric approach that includes general relativity, coupled to a condition for pair production deduced from simulations, we derive general results about the spatial distribution of pair-producing field lines over the pulsar polar cap. In particular, we show that pair production on magnetic field lines operates over only a fraction of the polar cap for an aligned rotator for general magnetic field configurations, assuming the magnetic field varies spatially on a scale that is larger than the size of the polar cap. We compare our result to force-free simulations of a pulsar with a dipole surface field andmore » find excellent agreement. Our work has implications for first-principles simulations of pulsar magnetospheres and for explaining observations of pulsed radio and high-energy emission.« less

3-D RPIC Simulations of Relativistic Jets: Particle Acceleration, Magnetic Field Generation, and Emission

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Mizuno, Y.; Hardee, P.; Hededal, C. B.; Fishman, G. J.

2006-01-01

Recent PIC simulations using injected relativistic electron-ion (electro-positron) jets into ambient plasmas show that acceleration occurs in relativistic shocks. The Weibel instability created in shocks is responsible for particle acceleration, and generation and amplification of highly inhomogeneous, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection in relativistic jets. The "jitter" radiation from deflected electrons has different properties than the synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understand the complex time evolution and spectral structure in relativistic jets and gamma-ray bursts. We will present recent PIC simulations which show particle acceleration and magnetic field generation. We will also calculate associated self-consistent emission from relativistic shocks.

Tortuosity of lightning return stroke channels

NASA Technical Reports Server (NTRS)

Levine, D. M.; Gilson, B.

1984-01-01

Data obtained from photographs of lightning are presented on the tortuosity of return stroke channels. The data were obtained by making piecewise linear fits to the channels, and recording the cartesian coordinates of the ends of each linear segment. The mean change between ends of the segments was nearly zero in the horizontal direction and was about eight meters in the vertical direction. Histograms of these changes are presented. These data were used to create model lightning channels and to predict the electric fields radiated during return strokes. This was done using a computer generated random walk in which linear segments were placed end-to-end to form a piecewise linear representation of the channel. The computer selected random numbers for the ends of the segments assuming a normal distribution with the measured statistics. Once the channels were simulated, the electric fields radiated during a return stroke were predicted using a transmission line model on each segment. It was found that realistic channels are obtained with this procedure, but only if the model includes two scales of tortuosity: fine scale irregularities corresponding to the local channel tortuosity which are superimposed on large scale horizontal drifts. The two scales of tortuosity are also necessary to obtain agreement between the electric fields computed mathematically from the simulated channels and the electric fields radiated from real return strokes. Without large scale drifts, the computed electric fields do not have the undulations characteristics of the data.

Fluctuating hydrodynamics for multiscale modeling and simulation: energy and heat transfer in molecular fluids.

PubMed

Shang, Barry Z; Voulgarakis, Nikolaos K; Chu, Jhih-Wei

2012-07-28

This work illustrates that fluctuating hydrodynamics (FHD) simulations can be used to capture the thermodynamic and hydrodynamic responses of molecular fluids at the nanoscale, including those associated with energy and heat transfer. Using all-atom molecular dynamics (MD) trajectories as the reference data, the atomistic coordinates of each snapshot are mapped onto mass, momentum, and energy density fields on Eulerian grids to generate a corresponding field trajectory. The molecular length-scale associated with finite molecule size is explicitly imposed during this coarse-graining by requiring that the variances of density fields scale inversely with the grid volume. From the fluctuations of field variables, the response functions and transport coefficients encoded in the all-atom MD trajectory are computed. By using the extracted fluid properties in FHD simulations, we show that the fluctuations and relaxation of hydrodynamic fields quantitatively match with those observed in the reference all-atom MD trajectory, hence establishing compatibility between the atomistic and field representations. We also show that inclusion of energy transfer in the FHD equations can more accurately capture the thermodynamic and hydrodynamic responses of molecular fluids. The results indicate that the proposed MD-to-FHD mapping with explicit consideration of finite molecule size provides a robust framework for coarse-graining the solution phase of complex molecular systems.

On the inverse transfer of (non-)helical magnetic energy in a decaying magnetohydrodynamic turbulence

NASA Astrophysics Data System (ADS)

Park, Kiwan

2017-12-01

In our conventional understanding, large-scale magnetic fields are thought to originate from an inverse cascade in the presence of magnetic helicity, differential rotation or a magneto-rotational instability. However, as recent simulations have given strong indications that an inverse cascade (transfer) may occur even in the absence of magnetic helicity, the physical origin of this inverse cascade is still not fully understood. We here present two simulations of freely decaying helical and non-helical magnetohydrodynamic (MHD) turbulence. We verified the inverse transfer of helical and non-helical magnetic fields in both cases, but we found the underlying physical principles to be fundamentally different. In the former case, the helical magnetic component leads to an inverse cascade of magnetic energy. We derived a semi-analytic formula for the evolution of large-scale magnetic field using α coefficient and compared it with the simulation data. But in the latter case, the α effect, including other conventional dynamo theories, is not suitable to describe the inverse transfer of non-helical magnetic energy. To obtain a better understanding of the physics at work here, we introduced a 'field structure model' based on the magnetic induction equation in the presence of inhomogeneities. This model illustrates how the curl of the electromotive force leads to the build up of a large-scale magnetic field without the requirement of magnetic helicity. And we applied a quasi-normal approximation to the inverse transfer of magnetic energy.

On the amplification of magnetic fields in cosmic filaments and galaxy clusters

NASA Astrophysics Data System (ADS)

Vazza, F.; Brüggen, M.; Gheller, C.; Wang, P.

2014-12-01

The amplification of primordial magnetic fields via a small-scale turbulent dynamo during structure formation might be able to explain the observed magnetic fields in galaxy clusters. The magnetization of more tenuous large-scale structures such as cosmic filaments is more uncertain, as it is challenging for numerical simulations to achieve the required dynamical range. In this work, we present magnetohydrodynamical cosmological simulations on large uniform grids to study the amplification of primordial seed fields in the intracluster medium (ICM) and in the warm-hot-intergalactic medium (WHIM). In the ICM, we confirm that turbulence caused by structure formation can produce a significant dynamo amplification, even if the amplification is smaller than what is reported in other papers. In the WHIM inside filaments, we do not observe significant dynamo amplification, even though we achieve Reynolds numbers of Re ˜ 200-300. The maximal amplification for large filaments is of the order of ˜100 for the magnetic energy, corresponding to a typical field of a few ˜nG starting from a primordial weak field of 10-10 G (comoving). In order to start a small-scale dynamo, we found that a minimum of ˜102 resolution elements across the virial radius of galaxy clusters was necessary. In filaments we could not find a minimum resolution to set off a dynamo. This stems from the inefficiency of supersonic motions in the WHIM in triggering solenoidal modes and small-scale twisting of magnetic field structures. Magnetic fields this small will make it hard to detect filaments in radio observations.

Particle acceleration in solar active regions being in the state of self-organized criticality.

NASA Astrophysics Data System (ADS)

Vlahos, Loukas

We review the recent observational results on flare initiation and particle acceleration in solar active regions. Elaborating a statistical approach to describe the spatiotemporally intermittent electric field structures formed inside a flaring solar active region, we investigate the efficiency of such structures in accelerating charged particles (electrons and protons). The large-scale magnetic configuration in the solar atmosphere responds to the strong turbulent flows that convey perturbations across the active region by initiating avalanche-type processes. The resulting unstable structures correspond to small-scale dissipation regions hosting strong electric fields. Previous research on particle acceleration in strongly turbulent plasmas provides a general framework for addressing such a problem. This framework combines various electromagnetic field configurations obtained by magnetohydrodynamical (MHD) or cellular automata (CA) simulations, or by employing a statistical description of the field’s strength and configuration with test particle simulations. We work on data-driven 3D magnetic field extrapolations, based on a self-organized criticality models (SOC). A relativistic test-particle simulation traces each particle’s guiding center within these configurations. Using the simulated particle-energy distributions we test our results against observations, in the framework of the collisional thick target model (CTTM) of solar hard X-ray (HXR) emission and compare our results with the current observations.

Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

NASA Astrophysics Data System (ADS)

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; Fattebert, Jean-Luc; McKeown, Joseph T.

2018-01-01

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu-Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid-liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu-Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ˜0.1 to ˜0.6 m s-1. After an ‘incubation’ time, the velocity of the planar solid-liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Finally, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid-liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

DOE PAGES

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; ...

2017-12-05

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

The void spectrum in two-dimensional numerical simulations of gravitational clustering

NASA Technical Reports Server (NTRS)

Kauffmann, Guinevere; Melott, Adrian L.

1992-01-01

An algorithm for deriving a spectrum of void sizes from two-dimensional high-resolution numerical simulations of gravitational clustering is tested, and it is verified that it produces the correct results where those results can be anticipated. The method is used to study the growth of voids as clustering proceeds. It is found that the most stable indicator of the characteristic void 'size' in the simulations is the mean fractional area covered by voids of diameter d, in a density field smoothed at its correlation length. Very accurate scaling behavior is found in power-law numerical models as they evolve. Eventually, this scaling breaks down as the nonlinearity reaches larger scales. It is shown that this breakdown is a manifestation of the undesirable effect of boundary conditions on simulations, even with the very large dynamic range possible here. A simple criterion is suggested for deciding when simulations with modest large-scale power may systematically underestimate the frequency of larger voids.

The Universe at Moderate Redshift

NASA Technical Reports Server (NTRS)

Cen, Renyue; Ostriker, Jeremiah P.

1997-01-01

The report covers the work done in the past year and a wide range of fields including properties of clusters of galaxies; topological properties of galaxy distributions in terms of galaxy types; patterns of gravitational nonlinear clustering process; development of a ray tracing algorithm to study the gravitational lensing phenomenon by galaxies, clusters and large-scale structure, one of whose applications being the effects of weak gravitational lensing by large-scale structure on the determination of q(0); the origin of magnetic fields on the galactic and cluster scales; the topological properties of Ly(alpha) clouds the Ly(alpha) optical depth distribution; clustering properties of Ly(alpha) clouds; and a determination (lower bound) of Omega(b) based on the observed Ly(alpha) forest flux distribution. In the coming year, we plan to continue the investigation of Ly(alpha) clouds using larger dynamic range (about a factor of two) and better simulations (with more input physics included) than what we have now. We will study the properties of galaxies on 1 - 100h(sup -1) Mpc scales using our state-of-the-art large scale galaxy formation simulations of various cosmological models, which will have a resolution about a factor of 5 (in each dimension) better than our current, best simulations. We will plan to study the properties of X-ray clusters using unprecedented, very high dynamic range (20,000) simulations which will enable us to resolve the cores of clusters while keeping the simulation volume sufficiently large to ensure a statistically fair sample of the objects of interest. The details of the last year's works are now described.

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2011-06-15

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.« less

Scaling Characteristics of Mesoscale Wind Fields in the Lower Atmospheric Boundary Layer: Implications for Wind Energy

NASA Astrophysics Data System (ADS)

Kiliyanpilakkil, Velayudhan Praju

Atmospheric motions take place in spatial scales of sub-millimeters to few thousands of kilometers with temporal changes in the atmospheric variables occur in fractions of seconds to several years. Consequently, the variations in atmospheric kinetic energy associated with these atmospheric motions span over a broad spectrum of space and time. The mesoscale region acts as an energy transferring regime between the energy generating synoptic scale and the energy dissipating microscale. Therefore, the scaling characterizations of mesoscale wind fields are significant in the accurate estimation of the atmospheric energy budget. Moreover, the precise knowledge of the scaling characteristics of atmospheric mesoscale wind fields is important for the validation of the numerical models those focus on wind forecasting, dispersion, diffusion, horizontal transport, and optical turbulence. For these reasons, extensive studies have been conducted in the past to characterize the mesoscale wind fields. Nevertheless, the majority of these studies focused on near-surface and upper atmosphere mesoscale regimes. The present study attempt to identify the existence and to quantify the scaling of mesoscale wind fields in the lower atmospheric boundary layer (ABL; in the wind turbine layer) using wind observations from various research-grade instruments (e.g., sodars, anemometers). The scaling characteristics of the mesoscale wind speeds over diverse homogeneous flat terrains, conducted using structure function based analysis, revealed an altitudinal dependence of the scaling exponents. This altitudinal dependence of the wind speed scaling may be attributed to the buoyancy forcing. Subsequently, we use the framework of extended self-similarity (ESS) to characterize the observed scaling behavior. In the ESS framework, the relative scaling exponents of the mesoscale atmospheric boundary layer wind speed exhibit quasi-universal behavior; even far beyond the inertial range of turbulence (Delta t within 10 minutes to 6 hours range). The ESS framework based study is extended further to enquire its validity over complex terrain. This study, based on multiyear wind observations, demonstrate that the ESS holds for the lower ABL wind speed over the complex terrain as well. Another important inference from this study is that the ESS relative scaling exponents corresponding to the mesoscale wind speed closely matches the scaling characteristics of the inertial range turbulence, albeit not exactly identical. The current study proposes benchmark using ESS-based quasi-universal wind speed scaling characteristics in the ABL for the mesoscale modeling community. Using a state-of-the-art atmospheric mesoscale model in conjunction with different planetary boundary layer (PBL) parameterization schemes, multiple wind speed simulations have been conducted. This study reveals that the ESS scaling characteristics of the model simulated wind speed time series in the lower ABL vary significantly from their observational counterparts. The study demonstrate that the model simulated wind speed time series for the time intervals Delta t < 2 hours do not capture the ESS-based scaling characteristics. The detailed analysis of model simulations using different PBL schemes lead to the conclusion that there is a need for significant improvements in the turbulent closure parameterizations adapted in the new-generation atmospheric models. This study is unique as the ESS framework has never been reported or examined for the validation of PBL parameterizations.

Gyrokinetic Simulations of Transport Scaling and Structure

NASA Astrophysics Data System (ADS)

Hahm, Taik Soo

2001-10-01

There is accumulating evidence from global gyrokinetic particle simulations with profile variations and experimental fluctuation measurements that microturbulence, with its time-averaged eddy size which scales with the ion gyroradius, can cause ion thermal transport which deviates from the gyro-Bohm scaling. The physics here can be best addressed by large scale (rho* = rho_i/a = 0.001) full torus gyrokinetic particle-in-cell turbulence simulations using our massively parallel, general geometry gyrokinetic toroidal code with field-aligned mesh. Simulation results from device-size scans for realistic parameters show that ``wave transport'' mechanism is not the dominant contribution for this Bohm-like transport and that transport is mostly diffusive driven by microscopic scale fluctuations in the presence of self-generated zonal flows. In this work, we analyze the turbulence and zonal flow statistics from simulations and compare to nonlinear theoretical predictions including the radial decorrelation of the transport events by zonal flows and the resulting probability distribution function (PDF). In particular, possible deviation of the characteristic radial size of transport processes from the time-averaged radial size of the density fluctuation eddys will be critically examined.

On the Subgrid-Scale Modeling of Compressible Turbulence

NASA Technical Reports Server (NTRS)

Squires, Kyle; Zeman, Otto

1990-01-01

A new sub-grid scale model is presented for the large-eddy simulation of compressible turbulence. In the proposed model, compressibility contributions have been incorporated in the sub-grid scale eddy viscosity which, in the incompressible limit, reduce to a form originally proposed by Smagorinsky (1963). The model has been tested against a simple extension of the traditional Smagorinsky eddy viscosity model using simulations of decaying, compressible homogeneous turbulence. Simulation results show that the proposed model provides greater dissipation of the compressive modes of the resolved-scale velocity field than does the Smagorinsky eddy viscosity model. For an initial r.m.s. turbulence Mach number of 1.0, simulations performed using the Smagorinsky model become physically unrealizable (i.e., negative energies) because of the inability of the model to sufficiently dissipate fluctuations due to resolved scale velocity dilations. The proposed model is able to provide the necessary dissipation of this energy and maintain the realizability of the flow. Following Zeman (1990), turbulent shocklets are considered to dissipate energy independent of the Kolmogorov energy cascade. A possible parameterization of dissipation by turbulent shocklets for Large-Eddy Simulation is also presented.

An iterative reconstruction of cosmological initial density fields

NASA Astrophysics Data System (ADS)

Hada, Ryuichiro; Eisenstein, Daniel J.

2018-05-01

We present an iterative method to reconstruct the linear-theory initial conditions from the late-time cosmological matter density field, with the intent of improving the recovery of the cosmic distance scale from the baryon acoustic oscillations (BAOs). We present tests using the dark matter density field in both real and redshift space generated from an N-body simulation. In redshift space at z = 0.5, we find that the reconstructed displacement field using our iterative method are more than 80% correlated with the true displacement field of the dark matter particles on scales k < 0.10h Mpc-1. Furthermore, we show that the two-point correlation function of our reconstructed density field matches that of the initial density field substantially better, especially on small scales (<40h-1 Mpc). Our redshift-space results are improved if we use an anisotropic smoothing so as to account for the reduced small-scale information along the line of sight in redshift space.

Cross-scale transport processes in the three-dimensional Kelvin-Helmholtz instability

NASA Astrophysics Data System (ADS)

Delamere, P. A.; Burkholder, B. L.; Ma, X.; Nykyri, K.

2017-12-01

The Kelvin-Helmholtz (KH) instability is a crucial aspect of the solar wind interaction with the giant magnetospheres. Rapid internal rotation of the magnetodisc produces conditions favorable for the growth of KH vortices along much of the equatorial magnetopause boundary. Pronounced dawn/dusk asymmetries at Jupiter and Saturn indicate a robust interaction with the solar wind. Using three-dimensional hybrid simulations we investigate the transport processes associated with the flow shear-driven KH instability. Of particular importance is small-scale and intermittent reconnection generated by the twisting of the magnetic field into configurations with antiparallel components. In three-dimensions strong guide field reconnection can occur even for initially parallel magnetic field configurations. Often the twisting motion leads to pairs of reconnection sites that can operate asynchronously, generating intermittent open flux and Maxwell stresses at the magnetopause boundary. We quantify the generation of open flux using field line tracing methods, determine the Reynolds and Maxwell stresses, and evaluate the mass transport as functions of magnetic shear, velocity shear, electron pressure and plasma beta. These results are compared with magnetohydrodynamic simulations (Ma et al., 2017). In addition, we present preliminary results for the role of cross-scale coupling processes, from fluid to ion scales. In particular, we characterize small-scale waves and the their role in mixing, diffusing and heating plasma at the magnetopause boundary.

On the feasibility of using satellite gravity observations for detecting large-scale solid mass transfer events

NASA Astrophysics Data System (ADS)

Peidou, Athina C.; Fotopoulos, Georgia; Pagiatakis, Spiros

2017-10-01

The main focus of this paper is to assess the feasibility of utilizing dedicated satellite gravity missions in order to detect large-scale solid mass transfer events (e.g. landslides). Specifically, a sensitivity analysis of Gravity Recovery and Climate Experiment (GRACE) gravity field solutions in conjunction with simulated case studies is employed to predict gravity changes due to past subaerial and submarine mass transfer events, namely the Agulhas slump in southeastern Africa and the Heart Mountain Landslide in northwestern Wyoming. The detectability of these events is evaluated by taking into account the expected noise level in the GRACE gravity field solutions and simulating their impact on the gravity field through forward modelling of the mass transfer. The spectral content of the estimated gravity changes induced by a simulated large-scale landslide event is estimated for the known spatial resolution of the GRACE observations using wavelet multiresolution analysis. The results indicate that both the Agulhas slump and the Heart Mountain Landslide could have been detected by GRACE, resulting in {\\vert }0.4{\\vert } and {\\vert }0.18{\\vert } mGal change on GRACE solutions, respectively. The suggested methodology is further extended to the case studies of the submarine landslide in Tohoku, Japan, and the Grand Banks landslide in Newfoundland, Canada. The detectability of these events using GRACE solutions is assessed through their impact on the gravity field.

A large-scale dynamo and magnetoturbulence in rapidly rotating core-collapse supernovae.

PubMed

Mösta, Philipp; Ott, Christian D; Radice, David; Roberts, Luke F; Schnetter, Erik; Haas, Roland

2015-12-17

Magnetohydrodynamic turbulence is important in many high-energy astrophysical systems, where instabilities can amplify the local magnetic field over very short timescales. Specifically, the magnetorotational instability and dynamo action have been suggested as a mechanism for the growth of magnetar-strength magnetic fields (of 10(15) gauss and above) and for powering the explosion of a rotating massive star. Such stars are candidate progenitors of type Ic-bl hypernovae, which make up all supernovae that are connected to long γ-ray bursts. The magnetorotational instability has been studied with local high-resolution shearing-box simulations in three dimensions, and with global two-dimensional simulations, but it is not known whether turbulence driven by this instability can result in the creation of a large-scale, ordered and dynamically relevant field. Here we report results from global, three-dimensional, general-relativistic magnetohydrodynamic turbulence simulations. We show that hydromagnetic turbulence in rapidly rotating protoneutron stars produces an inverse cascade of energy. We find a large-scale, ordered toroidal field that is consistent with the formation of bipolar magnetorotationally driven outflows. Our results demonstrate that rapidly rotating massive stars are plausible progenitors for both type Ic-bl supernovae and long γ-ray bursts, and provide a viable mechanism for the formation of magnetars. Moreover, our findings suggest that rapidly rotating massive stars might lie behind potentially magnetar-powered superluminous supernovae.

Turbulence in Three Dimensional Simulations of Magnetopause Reconnection

NASA Astrophysics Data System (ADS)

Drake, J. F.; Price, L.; Swisdak, M.; Burch, J. L.; Cassak, P.; Dahlin, J. T.; Ergun, R.

2017-12-01

We present two- and three-dimensional particle-in-cell simulations of the 16 October 2015 MMS magnetopause reconnection event. While the two-dimensional simulation is laminar, turbulence develops at both the x-line and along the magnetic separatrices in the three-dimensional simulation. This turbulence is electromagnetic in nature, is characterized by a wavevector k given by kρ e ˜(m_e/m_i)0.25 with ρ e the electron Larmor radius, and appears to have the ion pressure gradient as its source of free energy. Taken together, these results suggest the instability is a variant of the lower-hybrid drift instability. The turbulence produces electric field fluctuations in the out-of-plane direction (the direction of the reconnection electric field) with an amplitude of around ± 10 mV/m, which is much greater than the reconnection electric field of around 0.1 mV/m. Such large values of the out-of-plane electric field have been identified in the MMS data. The turbulence in the simulation controls the scale lengths of the density profile and current layers in asymmetric reconnection, driving them closer to √ {ρ eρ_i } than the ρ e or de scalings seen in 2D reconnection simulations, where de is the electron inertial length. The turbulence is strong enough to make the magnetic field around the reconnection island chaotic and produces both anomalous resistivity and anomalous viscosity. Each contribute significantly to breaking the frozen-in condition in the electron diffusion region. The crescent-shaped features in velocity space seen both in MMS observations and in two-dimensional simulations survive, even in the turbulent environment of the three-dimensional system. We compare and contrast these results to a three-dimensional simulation of the 8 December 2015 MMS magnetopause reconnection event in which the reconnecting and out-of-plane guide fields are comparable. LHDI is still present in this event, although its appearance is modified by the presence of the guide field. The crescents also survive although, as is also observed by MMS, their intensity decreases. Nevertheless, the turbulence that develops remains strong.

Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U

NASA Astrophysics Data System (ADS)

Fulton, Daniel; Lau, Calvin; Bao, Jian; Lin, Zhihong; Tajima, Toshiki; TAE Team

2017-10-01

Understanding the nature of particle and energy transport in field-reversed configuration (FRC) plasmas is a crucial step towards an FRC-based fusion reactor. The C-2U device at Tri Alpha Energy (TAE) achieved macroscopically stable plasmas and electron energy confinement time which scaled favorably with electron temperature. This success led to experimental and theoretical investigation of turbulence in C-2U, including gyrokinetic ion simulations with the Gyrokinetic Toroidal Code (GTC). A primary objective of TAE's new C-2W device is to explore transport scaling in an extended parameter regime. In concert with the C-2W experimental campaign, numerical efforts have also been extended in A New Code (ANC) to use fully-kinetic (FK) ions and a Vlasov-Poisson field solver. Global FK ion simulations are presented. Future code development is also discussed.

A New Algorithm with Plane Waves and Wavelets for Random Velocity Fields with Many Spatial Scales

NASA Astrophysics Data System (ADS)

Elliott, Frank W.; Majda, Andrew J.

1995-03-01

A new Monte Carlo algorithm for constructing and sampling stationary isotropic Gaussian random fields with power-law energy spectrum, infrared divergence, and fractal self-similar scaling is developed here. The theoretical basis for this algorithm involves the fact that such a random field is well approximated by a superposition of random one-dimensional plane waves involving a fixed finite number of directions. In general each one-dimensional plane wave is the sum of a random shear layer and a random acoustical wave. These one-dimensional random plane waves are then simulated by a wavelet Monte Carlo method for a single space variable developed recently by the authors. The computational results reported in this paper demonstrate remarkable low variance and economical representation of such Gaussian random fields through this new algorithm. In particular, the velocity structure function for an imcorepressible isotropic Gaussian random field in two space dimensions with the Kolmogoroff spectrum can be simulated accurately over 12 decades with only 100 realizations of the algorithm with the scaling exponent accurate to 1.1% and the constant prefactor accurate to 6%; in fact, the exponent of the velocity structure function can be computed over 12 decades within 3.3% with only 10 realizations. Furthermore, only 46,592 active computational elements are utilized in each realization to achieve these results for 12 decades of scaling behavior.

SPONTANEOUS FORMATION OF SURFACE MAGNETIC STRUCTURE FROM LARGE-SCALE DYNAMO IN STRONGLY STRATIFIED CONVECTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Masada, Youhei; Sano, Takayoshi, E-mail: ymasada@auecc.aichi-edu.ac.jp, E-mail: sano@ile.osaka-u.ac.jp

We report the first successful simulation of spontaneous formation of surface magnetic structures from a large-scale dynamo by strongly stratified thermal convection in Cartesian geometry. The large-scale dynamo observed in our strongly stratified model has physical properties similar to those in earlier weakly stratified convective dynamo simulations, indicating that the α {sup 2}-type mechanism is responsible for the dynamo. In addition to the large-scale dynamo, we find that large-scale structures of the vertical magnetic field are spontaneously formed in the convection zone (CZ) surface only in cases with a strongly stratified atmosphere. The organization of the vertical magnetic field proceedsmore » in the upper CZ within tens of convective turnover time and band-like bipolar structures recurrently appear in the dynamo-saturated stage. We consider several candidates to be possibly be the origin of the surface magnetic structure formation, and then suggest the existence of an as-yet-unknown mechanism for the self-organization of the large-scale magnetic structure, which should be inherent in the strongly stratified convective atmosphere.« less

Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stanley, Eugene; Liu, Li

In this project, we target at three primary objectives: (1) Molecular Dynamics (MD) code development for Fe-Cr alloys, which can be utilized to provide thermodynamic and kinetic properties as inputs in mesoscale Phase Field (PF) simulations; (2) validation and implementation of the MD code to explain thermal ageing and radiation damage; and (3) an integrated modeling platform for MD and PF simulations. These two simulation tools, MD and PF, will ultimately be merged to understand and quantify the kinetics and mechanisms of microstructure and property evolution of Fe-Cr alloys under various thermal and irradiation environments

Abelian Higgs cosmic strings: Small-scale structure and loops

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hindmarsh, Mark; Stuckey, Stephanie; Bevis, Neil

2009-06-15

Classical lattice simulations of the Abelian Higgs model are used to investigate small-scale structure and loop distributions in cosmic string networks. Use of the field theory ensures that the small-scale physics is captured correctly. The results confirm analytic predictions of Polchinski and Rocha 29 for the two-point correlation function of the string tangent vector, with a power law from length scales of order the string core width up to horizon scale. An analysis of the size distribution of string loops gives a very low number density, of order 1 per horizon volume, in contrast with Nambu-Goto simulations. Further, our loopmore » distribution function does not support the detailed analytic predictions for loop production derived by Dubath et al. 30. Better agreement to our data is found with a model based on loop fragmentation 32, coupled with a constant rate of energy loss into massive radiation. Our results show a strong energy-loss mechanism, which allows the string network to scale without gravitational radiation, but which is not due to the production of string width loops. From evidence of small-scale structure we argue a partial explanation for the scale separation problem of how energy in the very low frequency modes of the string network is transformed into the very high frequency modes of gauge and Higgs radiation. We propose a picture of string network evolution, which reconciles the apparent differences between Nambu-Goto and field theory simulations.« less

Climate and weather across scales: singularities and stochastic Levy-Clifford algebra

NASA Astrophysics Data System (ADS)

Schertzer, Daniel; Tchiguirinskaia, Ioulia

2016-04-01

There have been several attempts to understand and simulate the fluctuations of weather and climate across scales. Beyond mono/uni-scaling approaches (e.g. using spectral analysis), this was done with the help of multifractal techniques that aim to track and simulate the scaling singularities of the underlying equations instead of relying on numerical, scale truncated simulations of these equations (Royer et al., 2008, Lovejoy and Schertzer, 2013). However, these techniques were limited to deal with scalar fields, instead of dealing directly with a system of complex interactions and non trivial symmetries. The latter is unfortunately indispensable to answer to the challenging question of being able to assess the climatology of (exo-) planets based on first principles (Pierrehumbert, 2013) or to fully address the question of the relevance of quasi-geostrophic turbulence and to define an effective, fractal dimension of the atmospheric motions (Schertzer et al., 2012). In this talk, we present a plausible candidate based on the combination of Lévy stable processes and Clifford algebra. Together they combine stochastic and structural properties that are strongly universal. They therefore define with the help of a few physically meaningful parameters a wide class of stochastic symmetries, as well as high dimensional vector- or manifold-valued fields respecting these symmetries (Schertzer and Tchiguirinskaia, 2015). Lovejoy, S. & Schertzer, D., 2013. The Weather and Climate: Emergent Laws and Multifractal Cascades. Cambridge U.K. Cambridge Univeristy Press. Pierrehumbert, R.T., 2013. Strange news from other stars. Nature Geoscience, 6(2), pp.81-83. Royer, J.F. et al., 2008. Multifractal analysis of the evolution of simulated precipitation over France in a climate scenario. C.R. Geoscience, 340(431-440). Schertzer, D. et al., 2012. Quasi-geostrophic turbulence and generalized scale invariance, a theoretical reply. Atmos. Chem. Phys., 12, pp.327-336. Schertzer, D. & Tchiguirinskaia, I., 2015. Multifractal vector fields and stochastic Clifford algebra. Chaos: An Interdisciplinary Journal of Nonlinear Science, 25(12), p.123127.

Field-scale prediction of enhanced DNAPL dissolution based on partitioning tracers.

PubMed

Wang, Fang; Annable, Michael D; Jawitz, James W

2013-09-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a tetrachloroethylene (PCE)-contaminated dry cleaner site, located in Jacksonville, Florida. The EST model is an analytical solution with field-measurable input parameters. Measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ ethanol flood. In addition, a simulated partitioning tracer test from a calibrated, three-dimensional, spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The EST ethanol prediction based on both the field partitioning tracer test and the simulation closely matched the total recovery well field ethanol data with Nash-Sutcliffe efficiency E=0.96 and 0.90, respectively. The EST PCE predictions showed a peak shift to earlier arrival times for models based on either field-measured or simulated partitioning tracer tests, resulting in poorer matches to the field PCE data in both cases. The peak shifts were concluded to be caused by well screen interval differences between the field tracer test and ethanol flood. Both the EST model and UTCHEM were also used to predict PCE aqueous dissolution under natural gradient conditions, which has a much less complex flow pattern than the forced-gradient double five spot used for the ethanol flood. The natural gradient EST predictions based on parameters determined from tracer tests conducted with a complex flow pattern underestimated the UTCHEM-simulated natural gradient total mass removal by 12% after 170 pore volumes of water flushing indicating that some mass was not detected by the tracers likely due to stagnation zones in the flow field. These findings highlight the important influence of well configuration and the associated flow patterns on dissolution. © 2013.

Field-scale prediction of enhanced DNAPL dissolution based on partitioning tracers

NASA Astrophysics Data System (ADS)

Wang, Fang; Annable, Michael D.; Jawitz, James W.

2013-09-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a tetrachloroethylene (PCE)-contaminated dry cleaner site, located in Jacksonville, Florida. The EST model is an analytical solution with field-measurable input parameters. Measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ ethanol flood. In addition, a simulated partitioning tracer test from a calibrated, three-dimensional, spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The EST ethanol prediction based on both the field partitioning tracer test and the simulation closely matched the total recovery well field ethanol data with Nash-Sutcliffe efficiency E = 0.96 and 0.90, respectively. The EST PCE predictions showed a peak shift to earlier arrival times for models based on either field-measured or simulated partitioning tracer tests, resulting in poorer matches to the field PCE data in both cases. The peak shifts were concluded to be caused by well screen interval differences between the field tracer test and ethanol flood. Both the EST model and UTCHEM were also used to predict PCE aqueous dissolution under natural gradient conditions, which has a much less complex flow pattern than the forced-gradient double five spot used for the ethanol flood. The natural gradient EST predictions based on parameters determined from tracer tests conducted with a complex flow pattern underestimated the UTCHEM-simulated natural gradient total mass removal by 12% after 170 pore volumes of water flushing indicating that some mass was not detected by the tracers likely due to stagnation zones in the flow field. These findings highlight the important influence of well configuration and the associated flow patterns on dissolution.

Resolving the fine-scale structure in turbulent Rayleigh-Bénard convection

NASA Astrophysics Data System (ADS)

Scheel, Janet D.; Emran, Mohammad S.; Schumacher, Jörg

2013-11-01

We present high-resolution direct numerical simulation studies of turbulent Rayleigh-Bénard convection in a closed cylindrical cell with an aspect ratio of one. The focus of our analysis is on the finest scales of convective turbulence, in particular the statistics of the kinetic energy and thermal dissipation rates in the bulk and the whole cell. The fluctuations of the energy dissipation field can directly be translated into a fluctuating local dissipation scale which is found to develop ever finer fluctuations with increasing Rayleigh number. The range of these scales as well as the probability of high-amplitude dissipation events decreases with increasing Prandtl number. In addition, we examine the joint statistics of the two dissipation fields and the consequences of high-amplitude events. We have also investigated the convergence properties of our spectral element method and have found that both dissipation fields are very sensitive to insufficient resolution. We demonstrate that global transport properties, such as the Nusselt number, and the energy balances are partly insensitive to insufficient resolution and yield correct results even when the dissipation fields are under-resolved. Our present numerical framework is also compared with high-resolution simulations which use a finite difference method. For most of the compared quantities the agreement is found to be satisfactory.

3D Realistic Modeling of the Interaction of Quiet-Sun Magnetic Fields with the Chromosphere

NASA Technical Reports Server (NTRS)

Kitiashvili, I. N.; Kosovichev, A. G.; Mansour, N. N.; Wray, A. A.

2017-01-01

High-resolution observations and 3D simulations suggest that a local dynamo operates near the surface and produces ubiquitous small-scale magnetic elements, thus contributing to the magnetic carpet in the photosphere and to the magnetic structure and dynamics of the solar atmosphere. It appears that the traditional mechanisms of chromospheric energy and mass transport by acoustic waves and shocks are likely to play a secondary role; instead, the primary drivers in the energetics and dynamics of the chromosphere and transition region are small-scale, previously unresolved, quiet-Sun magnetic fields. These fields appear as ubiquitous, rapidly changing (on the scale of a few seconds), tiny magnetic loops and magnetized vortex tubes. Questions then arise about their origin and dynamics in the chromosphere, their links to magnetic fields in the photosphere, and their role in the energy storage and exchange between subsurface layers and the chromosphere. In the talk we will present results of 3D radiative MHD simulations obtained with the StellarBox code and discuss the energetics and dynamical interlinks between the subphotospheric layers and low chromosphere, their effects on the structure of the chromosphere, and signatures of the fine-scale magnetic features in high-resolution spectro-polarimetric observations.

New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

NASA Astrophysics Data System (ADS)

Sagui, Celeste

2006-03-01

An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.

Scaling laws in magnetized plasma turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boldyrev, Stanislav

2015-06-28

Interactions of plasma motion with magnetic fields occur in nature and in the laboratory in an impressively broad range of scales, from megaparsecs in astrophysical systems to centimeters in fusion devices. The fact that such an enormous array of phenomena can be effectively studied lies in the existence of fundamental scaling laws in plasma turbulence, which allow one to scale the results of analytic and numerical modeling to the sized of galaxies, velocities of supernovae explosions, or magnetic fields in fusion devices. Magnetohydrodynamics (MHD) provides the simplest framework for describing magnetic plasma turbulence. Recently, a number of new features ofmore » MHD turbulence have been discovered and an impressive array of thought-provoking phenomenological theories have been put forward. However, these theories have conflicting predictions, and the currently available numerical simulations are not able to resolve the contradictions. MHD turbulence exhibits a variety of regimes unusual in regular hydrodynamic turbulence. Depending on the strength of the guide magnetic field it can be dominated by weakly interacting Alfv\\'en waves or strongly interacting wave packets. At small scales such turbulence is locally anisotropic and imbalanced (cross-helical). In a stark contrast with hydrodynamic turbulence, which tends to ``forget'' global constrains and become uniform and isotropic at small scales, MHD turbulence becomes progressively more anisotropic and unbalanced at small scales. Magnetic field plays a fundamental role in turbulent dynamics. Even when such a field is not imposed by external sources, it is self-consistently generated by the magnetic dynamo action. This project aims at a comprehensive study of universal regimes of magnetic plasma turbulence, combining the modern analytic approaches with the state of the art numerical simulations. The proposed study focuses on the three topics: weak MHD turbulence, which is relevant for laboratory devices, the solar wind, solar corona heating, and planetary magnetospheres; strong MHD turbulence, which is relevant for fusion devices, star formation, cosmic rays acceleration, scattering and trapping in galaxies, as well as many aspects of dynamics, distribution and composition of space plasmas, and the process of magnetic dynamo action, which explains the generation and the structure of magnetic fields in turbulent plasmas. The planned work will aim at developing new analytic approaches, conducting new numerical simulations with currently unmatched resolution, and training students in the methods of the modern theory of plasma turbulence. The work will be performed at the University of Wisconsin--Madison.« less

Dynamical Scaling and Phase Coexistence in Topologically Constrained DNA Melting.

PubMed

Fosado, Y A G; Michieletto, D; Marenduzzo, D

2017-09-15

There is a long-standing experimental observation that the melting of topologically constrained DNA, such as circular closed plasmids, is less abrupt than that of linear molecules. This finding points to an important role of topology in the physics of DNA denaturation, which is, however, poorly understood. Here, we shed light on this issue by combining large-scale Brownian dynamics simulations with an analytically solvable phenomenological Landau mean field theory. We find that the competition between melting and supercoiling leads to phase coexistence of denatured and intact phases at the single-molecule level. This coexistence occurs in a wide temperature range, thereby accounting for the broadening of the transition. Finally, our simulations show an intriguing topology-dependent scaling law governing the growth of denaturation bubbles in supercoiled plasmids, which can be understood within the proposed mean field theory.

Multifractal dissipation of intermittent turbulence generated by the magnetic reconnection in the solar wind

NASA Astrophysics Data System (ADS)

Wang, Y.; Wei, F.; Feng, X.

2013-12-01

Recent observations revealed a scale-invariant dissipation process in the fast ambient solar wind, while numerical simulations indicated that the dissipation process in collisionless reconnection was multifractal. Here, we investigate the properties of turbulent fluctuations in the magnetic reconnection prevailed region. It is found that there are large magnetic field shear angle and obvious intermittent structures in these regions. The deduced scaling exponents in the dissipation subrange show a multifractal scaling. In comparison, in the nearby region where magnetic reconnection is less prevailed, we find smaller magnetic field shear angle, less intermittent structures, and most importantly, a monofractal dissipation process. These results provide additionally observational evidence for previous observation and simulation work, and they also imply that magnetic dissipation in the solar wind magnetic reconnection might be caused by the intermittent cascade as multifractal processes.

Charged-Particle Transport in the Data-Driven, Non-Isotropic Turbulent Mangetic Field in the Solar Wind

NASA Astrophysics Data System (ADS)

Sun, P.; Jokipii, J. R.; Giacalone, J.

2016-12-01

Anisotropies in astrophysical turbulence has been proposed and observed for a long time. And recent observations adopting the multi-scale analysis techniques provided a detailed description of the scale-dependent power spectrum of the magnetic field parallel and perpendicular to the scale-dependent magnetic field line at different scales in the solar wind. In the previous work, we proposed a multi-scale method to synthesize non-isotropic turbulent magnetic field with pre-determined power spectra of the fluctuating magnetic field as a function of scales. We present the effect of test particle transport in the resulting field with a two-scale algorithm. We find that the scale-dependent turbulence anisotropy has a significant difference in the effect on charged par- ticle transport from what the isotropy or the global anisotropy has. It is important to apply this field synthesis method to the solar wind magnetic field based on spacecraft data. However, this relies on how we extract the power spectra of the turbulent magnetic field across different scales. In this study, we propose here a power spectrum synthesis method based on Fourier analysis to extract the large and small scale power spectrum from a single spacecraft observation with a long enough period and a high sampling frequency. We apply the method to the solar wind measurement by the magnetometer onboard the ACE spacecraft and regenerate the large scale isotropic 2D spectrum and the small scale anisotropic 2D spectrum. We run test particle simulations in the magnetid field generated in this way to estimate the transport coefficients and to compare with the isotropic turbulence model.

Full-Scale Numerical Modeling of Turbulent Processes in the Earth's Ionosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eliasson, B.; Stenflo, L.; Department of Physics, Linkoeping University, SE-581 83 Linkoeping

2008-10-15

We present a full-scale simulation study of ionospheric turbulence by means of a generalized Zakharov model based on the separation of variables into high-frequency and slow time scales. The model includes realistic length scales of the ionospheric profile and of the electromagnetic and electrostatic fields, and uses ionospheric plasma parameters relevant for high-latitude radio facilities such as Eiscat and HAARP. A nested grid numerical method has been developed to resolve the different length-scales, while avoiding severe restrictions on the time step. The simulation demonstrates the parametric decay of the ordinary mode into Langmuir and ion-acoustic waves, followed by a Langmuirmore » wave collapse and short-scale caviton formation, as observed in ionospheric heating experiments.« less

Large-Scale Dynamics of the Magnetospheric Boundary: Comparisons between Global MHD Simulation Results and ISTP Observations

NASA Technical Reports Server (NTRS)

Berchem, J.; Raeder, J.; Ashour-Abdalla, M.; Frank, L. A.; Paterson, W. R.; Ackerson, K. L.; Kokubun, S.; Yamamoto, T.; Lepping, R. P.

1998-01-01

Understanding the large-scale dynamics of the magnetospheric boundary is an important step towards achieving the ISTP mission's broad objective of assessing the global transport of plasma and energy through the geospace environment. Our approach is based on three-dimensional global magnetohydrodynamic (MHD) simulations of the solar wind-magnetosphere- ionosphere system, and consists of using interplanetary magnetic field (IMF) and plasma parameters measured by solar wind monitors upstream of the bow shock as input to the simulations for predicting the large-scale dynamics of the magnetospheric boundary. The validity of these predictions is tested by comparing local data streams with time series measured by downstream spacecraft crossing the magnetospheric boundary. In this paper, we review results from several case studies which confirm that our MHD model reproduces very well the large-scale motion of the magnetospheric boundary. The first case illustrates the complexity of the magnetic field topology that can occur at the dayside magnetospheric boundary for periods of northward IMF with strong Bx and By components. The second comparison reviewed combines dynamic and topological aspects in an investigation of the evolution of the distant tail at 200 R(sub E) from the Earth.

Simulation of nitrate reduction in groundwater - An upscaling approach from small catchments to the Baltic Sea basin

NASA Astrophysics Data System (ADS)

Hansen, A. L.; Donnelly, C.; Refsgaard, J. C.; Karlsson, I. B.

2018-01-01

This paper describes a modeling approach proposed to simulate the impact of local-scale, spatially targeted N-mitigation measures for the Baltic Sea Basin. Spatially targeted N-regulations aim at exploiting the considerable spatial differences in the natural N-reduction taking place in groundwater and surface water. While such measures can be simulated using local-scale physically-based catchment models, use of such detailed models for the 1.8 million km2 Baltic Sea basin is not feasible due to constraints on input data and computing power. Large-scale models that are able to simulate the Baltic Sea basin, on the other hand, do not have adequate spatial resolution to simulate some of the field-scale measures. Our methodology combines knowledge and results from two local-scale physically-based MIKE SHE catchment models, the large-scale and more conceptual E-HYPE model, and auxiliary data in order to enable E-HYPE to simulate how spatially targeted regulation of agricultural practices may affect N-loads to the Baltic Sea. We conclude that the use of E-HYPE with this upscaling methodology enables the simulation of the impact on N-loads of applying a spatially targeted regulation at the Baltic Sea basin scale to the correct order-of-magnitude. The E-HYPE model together with the upscaling methodology therefore provides a sound basis for large-scale policy analysis; however, we do not expect it to be sufficiently accurate to be useful for the detailed design of local-scale measures.

Measures of three-dimensional anisotropy and intermittency in strong Alfvénic turbulence

NASA Astrophysics Data System (ADS)

Mallet, A.; Schekochihin, A. A.; Chandran, B. D. G.; Chen, C. H. K.; Horbury, T. S.; Wicks, R. T.; Greenan, C. C.

2016-06-01

We measure the local anisotropy of numerically simulated strong Alfvénic turbulence with respect to two local, physically relevant directions: along the local mean magnetic field and along the local direction of one of the fluctuating Elsasser fields. We find significant scaling anisotropy with respect to both these directions: the fluctuations are `ribbon-like' - statistically, they are elongated along both the mean magnetic field and the fluctuating field. The latter form of anisotropy is due to scale-dependent alignment of the fluctuating fields. The intermittent scalings of the nth-order conditional structure functions in the direction perpendicular to both the local mean field and the fluctuations agree well with the theory of Chandran, Schekochihin & Mallet, while the parallel scalings are consistent with those implied by the critical-balance conjecture. We quantify the relationship between the perpendicular scalings and those in the fluctuation and parallel directions, and find that the scaling exponent of the perpendicular anisotropy (I.e. of the aspect ratio of the Alfvénic structures in the plane perpendicular to the mean magnetic field) depends on the amplitude of the fluctuations. This is shown to be equivalent to the anticorrelation of fluctuation amplitude and alignment at each scale. The dependence of the anisotropy on amplitude is shown to be more significant for the anisotropy between the perpendicular and fluctuation-direction scales than it is between the perpendicular and parallel scales.

Numerical investigation of turbulent channel flow

NASA Technical Reports Server (NTRS)

Moin, P.; Kim, J.

1981-01-01

Fully developed turbulent channel flow was simulated numerically at Reynolds number 13800, based on centerline velocity and channel halt width. The large-scale flow field was obtained by directly integrating the filtered, three dimensional, time dependent, Navier-Stokes equations. The small-scale field motions were simulated through an eddy viscosity model. The calculations were carried out on the ILLIAC IV computer with up to 516,096 grid points. The computed flow field was used to study the statistical properties of the flow as well as its time dependent features. The agreement of the computed mean velocity profile, turbulence statistics, and detailed flow structures with experimental data is good. The resolvable portion of the statistical correlations appearing in the Reynolds stress equations are calculated. Particular attention is given to the examination of the flow structure in the vicinity of the wall.

Anisotropic Stochastic Vortex Structure Method for Simulating Particle Collision in Turbulent Shear Flows

NASA Astrophysics Data System (ADS)

Dizaji, Farzad; Marshall, Jeffrey; Grant, John; Jin, Xing

2017-11-01

Accounting for the effect of subgrid-scale turbulence on interacting particles remains a challenge when using Reynolds-Averaged Navier Stokes (RANS) or Large Eddy Simulation (LES) approaches for simulation of turbulent particulate flows. The standard stochastic Lagrangian method for introducing turbulence into particulate flow computations is not effective when the particles interact via collisions, contact electrification, etc., since this method is not intended to accurately model relative motion between particles. We have recently developed the stochastic vortex structure (SVS) method and demonstrated its use for accurate simulation of particle collision in homogeneous turbulence; the current work presents an extension of the SVS method to turbulent shear flows. The SVS method simulates subgrid-scale turbulence using a set of randomly-positioned, finite-length vortices to generate a synthetic fluctuating velocity field. It has been shown to accurately reproduce the turbulence inertial-range spectrum and the probability density functions for the velocity and acceleration fields. In order to extend SVS to turbulent shear flows, a new inversion method has been developed to orient the vortices in order to generate a specified Reynolds stress field. The extended SVS method is validated in the present study with comparison to direct numerical simulations for a planar turbulent jet flow. This research was supported by the U.S. National Science Foundation under Grant CBET-1332472.

Quantifying substructures in Hubble Frontier Field clusters: comparison with ΛCDM simulations

DOE PAGES

Mohammed, Irshad; Saha, Prasenjit; Williams, Liliya L. R.; ...

2016-04-13

The Hubble Frontier Fields (HFF) are six clusters of galaxies, all showing indications of recent mergers, which have recently been observed for lensed images. As such they are the natural laboratories to study the merging history of galaxy clusters. In this work, we explore the 2D power spectrum of the mass distributionmore » $$P_{\\rm M}(k)$$ as a measure of substructure. We compare $$P_{\\rm M}(k)$$ of these clusters (obtained using strong gravitational lensing) to that of $$\\Lambda$$CDM simulated clusters of similar mass. In order to compute lensing $$P_{\\rm M}(k)$$, we produced free-form lensing mass reconstructions of HFF clusters, without any light traces mass (LTM) assumption. Moreover, the inferred power at small scales tends to be larger if (i)~the cluster is at lower redshift, and/or (ii)~there are deeper observations and hence more lensed images. In contrast, lens reconstructions assuming LTM show higher power at small scales even with fewer lensed images; it appears the small scale power in the LTM reconstructions is dominated by light information, rather than the lensing data. The average lensing derived $$P_{\\rm M}(k)$$ shows lower power at small scales as compared to that of simulated clusters at redshift zero, both dark-matter only and hydrodynamical. The possible reasons are: (i)~the available strong lensing data are limited in their effective spatial resolution on the mass distribution, (ii)~HFF clusters have yet to build the small scale power they would have at $$z\\sim 0$$, or (iii)~simulations are somehow overestimating the small scale power.« less

Simulation study of geometric shape factor approach to estimating earth emitted flux densities from wide field-of-view radiation measurements

NASA Technical Reports Server (NTRS)

Weaver, W. L.; Green, R. N.

1980-01-01

A study was performed on the use of geometric shape factors to estimate earth-emitted flux densities from radiation measurements with wide field-of-view flat-plate radiometers on satellites. Sets of simulated irradiance measurements were computed for unrestricted and restricted field-of-view detectors. In these simulations, the earth radiation field was modeled using data from Nimbus 2 and 3. Geometric shape factors were derived and applied to these data to estimate flux densities on global and zonal scales. For measurements at a satellite altitude of 600 km, estimates of zonal flux density were in error 1.0 to 1.2%, and global flux density errors were less than 0.2%. Estimates with unrestricted field-of-view detectors were about the same for Lambertian and non-Lambertian radiation models, but were affected by satellite altitude. The opposite was found for the restricted field-of-view detectors.

Improving the representation of clouds, radiation, and precipitation using spectral nudging in the Weather Research and Forecasting model

NASA Astrophysics Data System (ADS)

Spero, Tanya L.; Otte, Martin J.; Bowden, Jared H.; Nolte, Christopher G.

2014-10-01

Spectral nudging—a scale-selective interior constraint technique—is commonly used in regional climate models to maintain consistency with large-scale forcing while permitting mesoscale features to develop in the downscaled simulations. Several studies have demonstrated that spectral nudging improves the representation of regional climate in reanalysis-forced simulations compared with not using nudging in the interior of the domain. However, in the Weather Research and Forecasting (WRF) model, spectral nudging tends to produce degraded precipitation simulations when compared to analysis nudging—an interior constraint technique that is scale indiscriminate but also operates on moisture fields which until now could not be altered directly by spectral nudging. Since analysis nudging is less desirable for regional climate modeling because it dampens fine-scale variability, changes are proposed to the spectral nudging methodology to capitalize on differences between the nudging techniques and aim to improve the representation of clouds, radiation, and precipitation without compromising other fields. These changes include adding spectral nudging toward moisture, limiting nudging to below the tropopause, and increasing the nudging time scale for potential temperature, all of which collectively improve the representation of mean and extreme precipitation, 2 m temperature, clouds, and radiation, as demonstrated using a model-simulated 20 year historical period. Such improvements to WRF may increase the fidelity of regional climate data used to assess the potential impacts of climate change on human health and the environment and aid in climate change mitigation and adaptation studies.

Methods for Improving Fine-Scale Applications of the WRF-CMAQ Modeling System

EPA Science Inventory

Presentation on the work in AMAD to improve fine-scale (e.g. 4km and 1km) WRF-CMAQ simulations. Includes iterative analysis, updated sea surface temperature and snow cover fields, and inclusion of impervious surface information (urban parameterization).

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.

PubMed

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A

2009-03-10

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

PubMed Central

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster. PMID:20161452

Compression of an Applied Bz field by a z-pinch onto a Tamped DT Fiber for Inertial Confinement Fusion

NASA Astrophysics Data System (ADS)

Nash, Tom

2009-11-01

Simulations of a z-pinch compressing an applied 100 kG Bz field onto an on-axis DT fiber tamped with beryllium show the field reaching over 100 MG in the tamp, sufficient to confine DT alpha particles and to form a thermal barrier. The barrier allows the DT plasma to burn at a rho*r value as low as 0.045 g/cm^2, and at temperatures over 50 keV for a 63 MA drive current. Driving currents between 21 and 63 MA are considered with cryogenic DT fiber diameters between 600 μm and 1.6 mm. Pinch implosion times are 120 ns with a peak implosion velocity of 35 cm/μs. 1D simulations are of a foil pinch, but for improved stability we propose a nested wire-array. Simulated fusion yields with this system scale as the sixth power of the current, with burn fractions scaling as the fourth power of the current. At 63 MA the simulated yield is 521 MJ from 4.2 mg/cm of DT with a 37% burn fraction at a rho*r of only 0.18 g/cm^2.

Simulation of Relativistic Shocks and Associated Radiation from Turbulent Magnetic Fields

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Mizuno, Y.; Niemiec, J.; Medvedev, M.; Zhang, B.; Hardee, P.; Frederiksen, J.; Sol, H.; Pohl, M.; Hartmann, D. H.;

Filtering analysis of a direct numerical simulation of the turbulent Rayleigh-Benard problem

NASA Technical Reports Server (NTRS)

Eidson, T. M.; Hussaini, M. Y.; Zang, T. A.

1990-01-01

A filtering analysis of a turbulent flow was developed which provides details of the path of the kinetic energy of the flow from its creation via thermal production to its dissipation. A low-pass spatial filter is used to split the velocity and the temperature field into a filtered component (composed mainly of scales larger than a specific size, nominally the filter width) and a fluctuation component (scales smaller than a specific size). Variables derived from these fields can fall into one of the above two ranges or be composed of a mixture of scales dominated by scales near the specific size. The filter is used to split the kinetic energy equation into three equations corresponding to the three scale ranges described above. The data from a direct simulation of the Rayleigh-Benard problem for conditions where the flow is turbulent are used to calculate the individual terms in the three kinetic energy equations. This is done for a range of filter widths. These results are used to study the spatial location and the scale range of the thermal energy production, the cascading of kinetic energy, the diffusion of kinetic energy, and the energy dissipation. These results are used to evaluate two subgrid models typically used in large-eddy simulations of turbulence. Subgrid models attempt to model the energy below the filter width that is removed by a low-pass filter.

Emergence of magnetic flux generated in a solar convective dynamo

NASA Astrophysics Data System (ADS)

Chen, Feng; Rempel, Feng, Matthias; Fan, Yuhong

2016-10-01

We present a realistic numerical model of sunspot and active region formation through the emergence of flux tubes generated in a solar convective dynamo. The magnetic and velocity fields in a horizontal layer near the top boundary of the solar convective dynamo simulation are used as a time-dependent bottom boundary to drive the radiation magnetohydrodynamic simulations of the emergence of the flux tubes through the upper most layer of the convection zone to the photosphere. The emerging flux tubes interact with the convection and break into small scale magnetic elements that further rise to the photosphere. At the photosphere, several bipolar pairs of sunspots are formed through the coalescence of the small scale magnetic elements. The sunspot pairs in the simulation successfully reproduce the fundamental observed properties of solar active regions, including the more coherent leading spots with a stronger field strength, and the correct tilts of the bipolar pairs. These asymmetries originate from the intrinsic asymmetries in the emerging fields imposed at the bottom boundary, where the horizontal fields are already tilted. The leading sides of the emerging flux tubes are up against the downdraft lanes of the giant cells and strongly sheared downward. This leads to the stronger field strength of the leading polarity fields. We find a prograde flow in the emerging flux tube, which is naturally inherited from the solar convective dynamo simulation. The prograde flow gradually becomes a diverging flow as the flux tube rises. The emerging speed is similar to upflow speed of convective motions. The azimuthal average of the flows around a (leading) sunspot reveals a predominant down flow inside the sunspots and a large-scale horizontal inflow at the depth of about 10 Mm. The inflow pattern becomes an outflow in upper most convection zone in the vicinity of the sunspot, which could be considered as moat flows.

RANS Simulation (Virtual Blade Model [VBM]) of Array of Three Coaxial Lab Scaled DOE RM1 MHK Turbine with 5D Spacing

DOE Data Explorer

Javaherchi, Teymour

2016-06-08

Attached are the .cas and .dat files along with the required User Defined Functions (UDFs) and look-up table of lift and drag coefficients for the Reynolds Averaged Navier-Stokes (RANS) simulation of three coaxially located lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study the flow field around and in the wake of the lab-scaled DOE RM1 turbines in a coaxial array is simulated using Blade Element Model (a.k.a Virtual Blade Model) by solving RANS equations coupled with k-\\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of each device and structure of their turbulent far wake. The results of these simulations were validated against the developed in-house experimental data. Simulations for other turbine configurations are available upon request.

Energy spectrum of tearing mode turbulence in sheared background field

NASA Astrophysics Data System (ADS)

Hu, Di; Bhattacharjee, Amitava; Huang, Yi-Min

2018-06-01

The energy spectrum of tearing mode turbulence in a sheared background magnetic field is studied in this work. We consider the scenario where the nonlinear interaction of overlapping large-scale modes excites a broad spectrum of small-scale modes, generating tearing mode turbulence. The spectrum of such turbulence is of interest since it is relevant to the small-scale back-reaction on the large-scale field. The turbulence we discuss here differs from traditional MHD turbulence mainly in two aspects. One is the existence of many linearly stable small-scale modes which cause an effective damping during the energy cascade. The other is the scale-independent anisotropy induced by the large-scale modes tilting the sheared background field, as opposed to the scale-dependent anisotropy frequently encountered in traditional critically balanced turbulence theories. Due to these two differences, the energy spectrum deviates from a simple power law and takes the form of a power law multiplied by an exponential falloff. Numerical simulations are carried out using visco-resistive MHD equations to verify our theoretical predictions, and a reasonable agreement is found between the numerical results and our model.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

DOE PAGES

Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; ...

2015-05-18

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoreticalmore » analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.« less

Realistic Modeling of Multi-Scale MHD Dynamics of the Solar Atmosphere

NASA Technical Reports Server (NTRS)

Kitiashvili, Irina; Mansour, Nagi N.; Wray, Alan; Couvidat, Sebastian; Yoon, Seokkwan; Kosovichev, Alexander

2014-01-01

Realistic 3D radiative MHD simulations open new perspectives for understanding the turbulent dynamics of the solar surface, its coupling to the atmosphere, and the physical mechanisms of generation and transport of non-thermal energy. Traditionally, plasma eruptions and wave phenomena in the solar atmosphere are modeled by prescribing artificial driving mechanisms using magnetic or gas pressure forces that might arise from magnetic field emergence or reconnection instabilities. In contrast, our 'ab initio' simulations provide a realistic description of solar dynamics naturally driven by solar energy flow. By simulating the upper convection zone and the solar atmosphere, we can investigate in detail the physical processes of turbulent magnetoconvection, generation and amplification of magnetic fields, excitation of MHD waves, and plasma eruptions. We present recent simulation results of the multi-scale dynamics of quiet-Sun regions, and energetic effects in the atmosphere and compare with observations. For the comparisons we calculate synthetic spectro-polarimetric data to model observational data of SDO, Hinode, and New Solar Telescope.

On estimating scale invariance in stratocumulus cloud fields

NASA Technical Reports Server (NTRS)

Seze, Genevieve; Smith, Leonard A.

1990-01-01

Examination of cloud radiance fields derived from satellite observations sometimes indicates the existence of a range of scales over which the statistics of the field are scale invariant. Many methods were developed to quantify this scaling behavior in geophysics. The usefulness of such techniques depends both on the physics of the process being robust over a wide range of scales and on the availability of high resolution, low noise observations over these scales. These techniques (area perimeter relation, distribution of areas, estimation of the capacity, d0, through box counting, correlation exponent) are applied to the high resolution satellite data taken during the FIRE experiment and provides initial estimates of the quality of data required by analyzing simple sets. The results of the observed fields are contrasted with those of images of objects with known characteristics (e.g., dimension) where the details of the constructed image simulate current observational limits. Throughout when cloud elements and cloud boundaries are mentioned; it should be clearly understood that by this structures in the radiance field are meant: all the boundaries considered are defined by simple threshold arguments.

Nonequilibrium dynamic critical scaling of the quantum Ising chain.

PubMed

Kolodrubetz, Michael; Clark, Bryan K; Huse, David A

2012-07-06

We solve for the time-dependent finite-size scaling functions of the one-dimensional transverse-field Ising chain during a linear-in-time ramp of the field through the quantum critical point. We then simulate Mott-insulating bosons in a tilted potential, an experimentally studied system in the same equilibrium universality class, and demonstrate that universality holds for the dynamics as well. We find qualitatively athermal features of the scaling functions, such as negative spin correlations, and we show that they should be robustly observable within present cold atom experiments.

Effect of Multi-Scale Thermoelectric Magnetic Convection on Solidification Microstructure in Directionally Solidified Al-Si Alloys Under a Transverse Magnetic Field

NASA Astrophysics Data System (ADS)

Li, Xi; Du, Dafan; Gagnoud, Annie; Ren, Zhongming; Fautrelle, Yves; Moreau, Rene

2014-11-01

The influence of a transverse magnetic field ( B < 1 T) on the solidification structure in directionally solidified Al-Si alloys was investigated. Experimental results indicate that the magnetic field caused macrosegregation, dendrite refinement, and a decrease in the length of the mushy zone in both Al-7 wt pct Si alloy and Al-7 wt pct Si-1 wt pct Fe alloys. Moreover, the application of the magnetic field is capable of separating the Fe-rich intermetallic phases from Al-7 wt pct Si-1 wt pct Fe alloy. Thermoelectric magnetic convection (TEMC) was numerically simulated during the directional solidification of Al-Si alloys. The results reveal that the TEMC increases to a maximum () when the magnetic field reaches a critical magnetic field strength (), and then decreases as the magnetic field strength increases further. The TEMC exhibits the multi-scales effects: the and values are different at various scales, with decreasing and increasing as the scale decreases. The modification of the solidification structure under the magnetic field should be attributed to the TEMC on the sample and dendrite scales.

Detecting seasonal variations of soil parameters via field measurements and stochastic simulations in the hillslope

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; An, Hyunuk; Kim, Sanghyun

2015-04-01

Soil moisture, a critical factor in hydrologic systems, plays a key role in synthesizing interactions among soil, climate, hydrological response, solute transport and ecosystem dynamics. The spatial and temporal distribution of soil moisture at a hillslope scale is essential for understanding hillslope runoff generation processes. In this study, we implement Monte Carlo simulations in the hillslope scale using a three-dimensional surface-subsurface integrated model (3D model). Numerical simulations are compared with multiple soil moistures which had been measured using TDR(Mini_TRASE) for 22 locations in 2 or 3 depths during a whole year at a hillslope (area: 2100 square meters) located in Bongsunsa Watershed, South Korea. In stochastic simulations via Monte Carlo, uncertainty of the soil parameters and input forcing are considered and model ensembles showing good performance are selected separately for several seasonal periods. The presentation will be focused on the characterization of seasonal variations of model parameters based on simulations with field measurements. In addition, structural limitations of the contemporary modeling method will be discussed.

The Role of Fluid Compression in Particle Energization during Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Li, X.; Guo, F.; Li, H.; Li, S.

2017-12-01

Theories of particle transport and acceleration have shown that fluid compression is the leading mechanism for particle energization. However, the role of compression in particle energization during magnetic reconnection is unclear. We present a cluster of studies to clarify and show the effect of fluid compression in accelerating particles to high energies during magnetic reconnection. Using fully kinetic reconnection simulations, we show that fluid compression is the leading mechanism for high-energy particle energization. We find that the compressional energization is more important in a low-beta plasma or in a reconnection layer with a weak guide field (the magnetic field component perpendicular to the reconnecting magnetic field), which are relevant to solar flares. Our analysis on 3D kinetic simulations shows that the self-generated turbulence scatters particles and enhances the particle diffusion processes in the acceleration regions. Based on these results, we then study large-scale reconnection acceleration by solving the particle transport equation in a large-scale reconnection layer evolved with MHD simulations. Due to the compressional effect, particles are accelerated to high energies and develop power-law energy distributions. This study clarifies the nature of particle acceleration in reconnection layer and is important to understand particle energization during large-scale acceleration such as solar flares.

As a Matter of Force—Systematic Biases in Idealized Turbulence Simulations

NASA Astrophysics Data System (ADS)

Grete, Philipp; O’Shea, Brian W.; Beckwith, Kris

2018-05-01

Many astrophysical systems encompass very large dynamical ranges in space and time, which are not accessible by direct numerical simulations. Thus, idealized subvolumes are often used to study small-scale effects including the dynamics of turbulence. These turbulent boxes require an artificial driving in order to mimic energy injection from large-scale processes. In this Letter, we show and quantify how the autocorrelation time of the driving and its normalization systematically change the properties of an isothermal compressible magnetohydrodynamic flow in the sub- and supersonic regime and affect astrophysical observations such as Faraday rotation. For example, we find that δ-in-time forcing with a constant energy injection leads to a steeper slope in kinetic energy spectrum and less-efficient small-scale dynamo action. In general, we show that shorter autocorrelation times require more power in the acceleration field, which results in more power in compressive modes that weaken the anticorrelation between density and magnetic field strength. Thus, derived observables, such as the line-of-sight (LOS) magnetic field from rotation measures, are systematically biased by the driving mechanism. We argue that δ-in-time forcing is unrealistic and numerically unresolved, and conclude that special care needs to be taken in interpreting observational results based on the use of idealized simulations.

A New Scheme for the Simulation of Microscale Flow and Dispersion in Urban Areas by Coupling Large-Eddy Simulation with Mesoscale Models

NASA Astrophysics Data System (ADS)

Li, Haifeng; Cui, Guixiang; Zhang, Zhaoshun

2018-04-01

A coupling scheme is proposed for the simulation of microscale flow and dispersion in which both the mesoscale field and small-scale turbulence are specified at the boundary of a microscale model. The small-scale turbulence is obtained individually in the inner and outer layers by the transformation of pre-computed databases, and then combined in a weighted sum. Validation of the results of a flow over a cluster of model buildings shows that the inner- and outer-layer transition height should be located in the roughness sublayer. Both the new scheme and the previous scheme are applied in the simulation of the flow over the central business district of Oklahoma City (a point source during intensive observation period 3 of the Joint Urban 2003 experimental campaign), with results showing that the wind speed is well predicted in the canopy layer. Compared with the previous scheme, the new scheme improves the prediction of the wind direction and turbulent kinetic energy (TKE) in the canopy layer. The flow field influences the scalar plume in two ways, i.e. the averaged flow field determines the advective flux and the TKE field determines the turbulent flux. Thus, the mean, root-mean-square and maximum of the concentration agree better with the observations with the new scheme. These results indicate that the new scheme is an effective means of simulating the complex flow and dispersion in urban canopies.

Towards physics responsible for large-scale Lyman-α forest bias parameters

DOE PAGES

Agnieszka M. Cieplak; Slosar, Anze

2016-03-08

Using a series of carefully constructed numerical experiments based on hydrodynamic cosmological SPH simulations, we attempt to build an intuition for the relevant physics behind the large scale density (b δ) and velocity gradient (b η) biases of the Lyman-α forest. Starting with the fluctuating Gunn-Peterson approximation applied to the smoothed total density field in real-space, and progressing through redshift-space with no thermal broadening, redshift-space with thermal broadening and hydrodynamically simulated baryon fields, we investigate how approximations found in the literature fare. We find that Seljak's 2012 analytical formulae for these bias parameters work surprisingly well in the limit ofmore » no thermal broadening and linear redshift-space distortions. We also show that his b η formula is exact in the limit of no thermal broadening. Since introduction of thermal broadening significantly affects its value, we speculate that a combination of large-scale measurements of b η and the small scale flux PDF might be a sensitive probe of the thermal state of the IGM. Lastly, we find that large-scale biases derived from the smoothed total matter field are within 10–20% to those based on hydrodynamical quantities, in line with other measurements in the literature.« less

Towards physics responsible for large-scale Lyman-α forest bias parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agnieszka M. Cieplak; Slosar, Anze

Using a series of carefully constructed numerical experiments based on hydrodynamic cosmological SPH simulations, we attempt to build an intuition for the relevant physics behind the large scale density (b δ) and velocity gradient (b η) biases of the Lyman-α forest. Starting with the fluctuating Gunn-Peterson approximation applied to the smoothed total density field in real-space, and progressing through redshift-space with no thermal broadening, redshift-space with thermal broadening and hydrodynamically simulated baryon fields, we investigate how approximations found in the literature fare. We find that Seljak's 2012 analytical formulae for these bias parameters work surprisingly well in the limit ofmore » no thermal broadening and linear redshift-space distortions. We also show that his b η formula is exact in the limit of no thermal broadening. Since introduction of thermal broadening significantly affects its value, we speculate that a combination of large-scale measurements of b η and the small scale flux PDF might be a sensitive probe of the thermal state of the IGM. Lastly, we find that large-scale biases derived from the smoothed total matter field are within 10–20% to those based on hydrodynamical quantities, in line with other measurements in the literature.« less

Particle-in-cell studies of fast-ion slowing-down rates in cool tenuous magnetized plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evans, Eugene S.; Cohen, Samuel A.; Welch, Dale R.

We report on 3D-3V particle-in-cell simulations of fast-ion energy-loss rates in a cold, weakly-magnetized, weakly-coupled plasma where the electron gyroradius, ρe, is comparable to or less than the Debye length, λ De, and the fast-ion velocity exceeds the electron thermal velocity, a regime in which the electron response may be impeded. These simulations use explicit algorithms, spatially resolve ρ e and λ De, and temporally resolve the electron cyclotron and plasma frequencies. For mono-energetic dilute fast ions with isotropic velocity distributions, these scaling studies of the slowing-down time, τ s, versus fast-ion charge are in agreement with unmagnetized slowing-down theory;more » with an applied magnetic field, no consistent anisotropy between τs in the cross-field and field-parallel directions could be resolved. Scaling the fast-ion charge is confirmed as a viable way to reduce the required computational time for each simulation. In conclusion, the implications of these slowing down processes are described for one magnetic-confinement fusion concept, the small, advanced-fuel, field-reversed configuration device.« less

Shock heating in numerical simulations of kink-unstable coronal loops

PubMed Central

Bareford, M. R.; Hood, A. W.

2015-01-01

An analysis of the importance of shock heating within coronal magnetic fields has hitherto been a neglected area of study. We present new results obtained from nonlinear magnetohydrodynamic simulations of straight coronal loops. This work shows how the energy released from the magnetic field, following an ideal instability, can be converted into thermal energy, thereby heating the solar corona. Fast dissipation of magnetic energy is necessary for coronal heating and this requirement is compatible with the time scales associated with ideal instabilities. Therefore, we choose an initial loop configuration that is susceptible to the fast-growing kink, an instability that is likely to be created by convectively driven vortices, occurring where the loop field intersects the photosphere (i.e. the loop footpoints). The large-scale deformation of the field caused by the kinking creates the conditions for the formation of strong current sheets and magnetic reconnection, which have previously been considered as sites of heating, under the assumption of an enhanced resistivity. However, our simulations indicate that slow mode shocks are the primary heating mechanism, since, as well as creating current sheets, magnetic reconnection also generates plasma flows that are faster than the slow magnetoacoustic wave speed. PMID:25897092

Particle-in-cell studies of fast-ion slowing-down rates in cool tenuous magnetized plasma

DOE PAGES

Evans, Eugene S.; Cohen, Samuel A.; Welch, Dale R.

2018-04-05

We report on 3D-3V particle-in-cell simulations of fast-ion energy-loss rates in a cold, weakly-magnetized, weakly-coupled plasma where the electron gyroradius, ρe, is comparable to or less than the Debye length, λ De, and the fast-ion velocity exceeds the electron thermal velocity, a regime in which the electron response may be impeded. These simulations use explicit algorithms, spatially resolve ρ e and λ De, and temporally resolve the electron cyclotron and plasma frequencies. For mono-energetic dilute fast ions with isotropic velocity distributions, these scaling studies of the slowing-down time, τ s, versus fast-ion charge are in agreement with unmagnetized slowing-down theory;more » with an applied magnetic field, no consistent anisotropy between τs in the cross-field and field-parallel directions could be resolved. Scaling the fast-ion charge is confirmed as a viable way to reduce the required computational time for each simulation. In conclusion, the implications of these slowing down processes are described for one magnetic-confinement fusion concept, the small, advanced-fuel, field-reversed configuration device.« less

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

PubMed Central

2013-01-01

The accelerated molecular dynamics (aMD) method has recently been shown to enhance the sampling of biomolecules in molecular dynamics (MD) simulations, often by several orders of magnitude. Here, we describe an implementation of the aMD method for the OpenMM application layer that takes full advantage of graphics processing units (GPUs) computing. The aMD method is shown to work in combination with the AMOEBA polarizable force field (AMOEBA-aMD), allowing the simulation of long time-scale events with a polarizable force field. Benchmarks are provided to show that the AMOEBA-aMD method is efficiently implemented and produces accurate results in its standard parametrization. For the BPTI protein, we demonstrate that the protein structure described with AMOEBA remains stable even on the extended time scales accessed at high levels of accelerations. For the DNA repair metalloenzyme endonuclease IV, we show that the use of the AMOEBA force field is a significant improvement over fixed charged models for describing the enzyme active-site. The new AMOEBA-aMD method is publicly available (http://wiki.simtk.org/openmm/VirtualRepository) and promises to be interesting for studying complex systems that can benefit from both the use of a polarizable force field and enhanced sampling. PMID:24634618

Solar magnetic fields

NASA Astrophysics Data System (ADS)

Hood, Alan W.; Hughes, David W.

2011-08-01

This review provides an introduction to the generation and evolution of the Sun's magnetic field, summarising both observational evidence and theoretical models. The eleven year solar cycle, which is well known from a variety of observed quantities, strongly supports the idea of a large-scale solar dynamo. Current theoretical ideas on the location and mechanism of this dynamo are presented. The solar cycle influences the behaviour of the global coronal magnetic field and it is the eruptions of this field that can impact on the Earth's environment. These global coronal variations can be modelled to a surprising degree of accuracy. Recent high resolution observations of the Sun's magnetic field in quiet regions, away from sunspots, show that there is a continual evolution of a small-scale magnetic field, presumably produced by small-scale dynamo action in the solar interior. Sunspots, a natural consequence of the large-scale dynamo, emerge, evolve and disperse over a period of several days. Numerical simulations can help to determine the physical processes governing the emergence of sunspots. We discuss the interaction of these emerging fields with the pre-existing coronal field, resulting in a variety of dynamic phenomena.

Small-scale anisotropic intermittency in magnetohydrodynamic turbulence at low magnetic Reynolds numbers.

PubMed

Okamoto, Naoya; Yoshimatsu, Katsunori; Schneider, Kai; Farge, Marie

2014-03-01

Small-scale anisotropic intermittency is examined in three-dimensional incompressible magnetohydrodynamic turbulence subjected to a uniformly imposed magnetic field. Orthonormal wavelet analyses are applied to direct numerical simulation data at moderate Reynolds number and for different interaction parameters. The magnetic Reynolds number is sufficiently low such that the quasistatic approximation can be applied. Scale-dependent statistical measures are introduced to quantify anisotropy in terms of the flow components, either parallel or perpendicular to the imposed magnetic field, and in terms of the different directions. Moreover, the flow intermittency is shown to increase with increasing values of the interaction parameter, which is reflected in strongly growing flatness values when the scale decreases. The scale-dependent anisotropy of energy is found to be independent of scale for all considered values of the interaction parameter. The strength of the imposed magnetic field does amplify the anisotropy of the flow.

Stochastic downscaling of numerically simulated spatial rain and cloud fields using a transient multifractal approach

NASA Astrophysics Data System (ADS)

Nogueira, M.; Barros, A. P.; Miranda, P. M.

2012-04-01

Atmospheric fields can be extremely variable over wide ranges of spatial scales, with a scale ratio of 109-1010 between largest (planetary) and smallest (viscous dissipation) scale. Furthermore atmospheric fields with strong variability over wide ranges in scale most likely should not be artificially split apart into large and small scales, as in reality there is no scale separation between resolved and unresolved motions. Usually the effects of the unresolved scales are modeled by a deterministic bulk formula representing an ensemble of incoherent subgrid processes on the resolved flow. This is a pragmatic approach to the problem and not the complete solution to it. These models are expected to underrepresent the small-scale spatial variability of both dynamical and scalar fields due to implicit and explicit numerical diffusion as well as physically based subgrid scale turbulent mixing, resulting in smoother and less intermittent fields as compared to observations. Thus, a fundamental change in the way we formulate our models is required. Stochastic approaches equipped with a possible realization of subgrid processes and potentially coupled to the resolved scales over the range of significant scale interactions range provide one alternative to address the problem. Stochastic multifractal models based on the cascade phenomenology of the atmosphere and its governing equations in particular are the focus of this research. Previous results have shown that rain and cloud fields resulting from both idealized and realistic numerical simulations display multifractal behavior in the resolved scales. This result is observed even in the absence of scaling in the initial conditions or terrain forcing, suggesting that multiscaling is a general property of the nonlinear solutions of the Navier-Stokes equations governing atmospheric dynamics. Our results also show that the corresponding multiscaling parameters for rain and cloud fields exhibit complex nonlinear behavior depending on large scale parameters such as terrain forcing and mean atmospheric conditions at each location, particularly mean wind speed and moist stability. A particularly robust behavior found is the transition of the multiscaling parameters between stable and unstable cases, which has a clear physical correspondence to the transition from stratiform to organized (banded) convective regime. Thus multifractal diagnostics of moist processes are fundamentally transient and should provide a physically robust basis for the downscaling and sub-grid scale parameterizations of moist processes. Here, we investigate the possibility of using a simplified computationally efficient multifractal downscaling methodology based on turbulent cascades to produce statistically consistent fields at scales higher than the ones resolved by the model. Specifically, we are interested in producing rainfall and cloud fields at spatial resolutions necessary for effective flash flood and earth flows forecasting. The results are examined by comparing downscaled field against observations, and tendency error budgets are used to diagnose the evolution of transient errors in the numerical model prediction which can be attributed to aliasing.

Physical barriers formed from gelling liquids: 1. numerical design of laboratory and field experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finsterle, S.; Moridis, G.J.; Pruess, K.

1994-01-01

The emplacement of liquids under controlled viscosity conditions is investigated by means of numerical simulations. Design calculations are performed for a laboratory experiment on a decimeter scale, and a field experiment on a meter scale. The purpose of the laboratory experiment is to study the behavior of multiple gout plumes when injected in a porous medium. The calculations for the field trial aim at designing a grout injection test from a vertical well in order to create a grout plume of a significant extent in the subsurface.

Magnetic Field Generation, Particle Energization and Radiation at Relativistic Shear Boundary Layers

NASA Astrophysics Data System (ADS)

Liang, Edison; Fu, Wen; Spisak, Jake; Boettcher, Markus

2015-11-01

Recent large scale Particle-in-Cell (PIC) simulations have demonstrated that in unmagnetized relativistic shear flows, strong transverse d.c. magnetic fields are generated and sustained by ion-dominated currents on the opposite sides of the shear interface. Instead of dissipating the shear flow free energy via turbulence formation and mixing as it is usually found in MHD simulations, the kinetic results show that the relativistic boundary layer stabilizes itself via the formation of a robust vacuum gap supported by a strong magnetic field, which effectively separates the opposing shear flows, as in a maglev train. Our new PIC simulations have extended the runs to many tens of light crossing times of the simulation box. Both the vacuum gap and supporting magnetic field remain intact. The electrons are energized to reach energy equipartition with the ions, with 10% of the total energy in electromagnetic fields. The dominant radiation mechanism is similar to that of a wiggler, due to oscillating electron orbits around the boundary layer.

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cerri, S. S.; Kunz, M. W.; Califano, F.

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent,more » sub-ion-Larmor-scale fluctuations. Also, the observed velocity-space cascade is anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.« less

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

DOE PAGES

Cerri, S. S.; Kunz, M. W.; Califano, F.

2018-03-23

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent,more » sub-ion-Larmor-scale fluctuations. Also, the observed velocity-space cascade is anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.« less

PLASMA TURBULENCE AND KINETIC INSTABILITIES AT ION SCALES IN THE EXPANDING SOLAR WIND

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hellinger, Petr; Trávnícek, Pavel M.; Matteini, Lorenzo

The relationship between a decaying strong turbulence and kinetic instabilities in a slowly expanding plasma is investigated using two-dimensional (2D) hybrid expanding box simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we start with a spectrum of large-scale, linearly polarized, random-phase Alfvénic fluctuations that have energy equipartition between kinetic and magnetic fluctuations and vanishing correlation between the two fields. A turbulent cascade rapidly develops; magnetic field fluctuations exhibit a power-law spectrum at large scales and a steeper spectrum at ion scales. The turbulent cascade leads to an overall anisotropic proton heating, protons are heatedmore » in the perpendicular direction, and, initially, also in the parallel direction. The imposed expansion leads to generation of a large parallel proton temperature anisotropy which is at later stages partly reduced by turbulence. The turbulent heating is not sufficient to overcome the expansion-driven perpendicular cooling and the system eventually drives the oblique firehose instability in a form of localized nonlinear wave packets which efficiently reduce the parallel temperature anisotropy. This work demonstrates that kinetic instabilities may coexist with strong plasma turbulence even in a constrained 2D regime.« less

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

NASA Astrophysics Data System (ADS)

Cerri, S. S.; Kunz, M. W.; Califano, F.

2018-03-01

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time, we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent, sub-ion-Larmor-scale fluctuations. The observed velocity-space cascade is also anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.

Simulation of High-Beta Plasma Confinement

NASA Astrophysics Data System (ADS)

Font, Gabriel; Welch, Dale; Mitchell, Robert; McGuire, Thomas

2017-10-01

The Lockheed Martin Compact Fusion Reactor concept utilizes magnetic cusps to confine the plasma. In order to minimize losses through the axial and ring cusps, the plasma is pushed to a high-beta state. Simulations were made of the plasma and magnetic field system in an effort to quantify particle confinement times and plasma behavior characteristics. Computations are carried out with LSP using implicit PIC methods. Simulations of different sub-scale geometries at high-Beta fusion conditions are used to determine particle loss scaling with reactor size, plasma conditions, and gyro radii. ©2017 Lockheed Martin Corporation. All Rights Reserved.

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations

DOE PAGES

Cardall, Christian Y.; Budiardja, Reuben D.

2015-06-11

Aside from numerical algorithms and problem setup, large-scale physics simulations on distributed-memory supercomputers require more basic utilitarian functionality, such as physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of this sort of rudimentary functionality, along with individual `unit test' programs and larger example problems demonstrating their use. Lastly, these classes compose the Basics division of our developing astrophysics simulation code GenASiS (General Astrophysical Simulation System), but their fundamental nature makes themmore » useful for physics simulations in many fields.« less

Supernova explosions in magnetized, primordial dark matter haloes

NASA Astrophysics Data System (ADS)

Seifried, D.; Banerjee, R.; Schleicher, D.

2014-05-01

The first supernova explosions are potentially relevant sources for the production of the first large-scale magnetic fields. For this reason, we present a set of high-resolution simulations studying the effect of supernova explosions on magnetized, primordial haloes. We focus on the evolution of an initially small-scale magnetic field formed during the collapse of the halo. We vary the degree of magnetization, the halo mass, and the amount of explosion energy in order to account for expected variations as well as to infer systematical dependences of the results on initial conditions. Our simulations suggest that core collapse supernovae with an explosion energy of 1051 erg and more violent pair instability supernovae with 1053 erg are able to disrupt haloes with masses up to about 106 and 107 M⊙, respectively. The peak of the magnetic field spectra shows a continuous shift towards smaller k-values, i.e. larger length scales, over time reaching values as low as k = 4. On small scales, the magnetic energy decreases at the cost of the energy on large scales resulting in a well-ordered magnetic field with a strength up to ˜10-8 G depending on the initial conditions. The coherence length of the magnetic field inferred from the spectra reaches values up to 250 pc in agreement with those obtained from autocorrelation functions. We find the coherence length to be as large as 50 per cent of the radius of the supernova bubble. Extrapolating this relation to later stages, we suggest that significantly strong magnetic fields with coherence lengths as large as 1.5 kpc could be created. We discuss possible implications of our results on processes like recollapse of the halo, first galaxy formation, and the magnetization of the intergalactic medium.

The free jet as a simulator of forward velocity effects on jet noise

NASA Technical Reports Server (NTRS)

Ahuja, K. K.; Tester, B. J.; Tanna, H. K.

1978-01-01

A thorough theoretical and experimental study of the effects of the free-jet shear layer on the transmission of sound from a model jet placed within the free jet to the far-field receiver located outside the free-jet flow was conducted. The validity and accuracy of the free-jet flight simulation technique for forward velocity effects on jet noise was evaluated. Transformation charts and a systematic computational procedure for converting measurements from a free-jet simulation to the corresponding results from a wind-tunnel simulation, and, finally, to the flight case were provided. The effects of simulated forward flight on jet mixing noise, internal noise and shock-associated noise from model-scale unheated and heated jets were established experimentally in a free-jet facility. It was illustrated that the existing anomalies between full-scale flight data and model-scale flight simulation data projected to the flight case, could well be due to the contamination of flight data by engine internal noise.

Using DOUBLE STAR and CLUSTER Synoptic Observations to Test Global MHD Simulations of the Large-scale Topology of the Dayside Merging Region

NASA Astrophysics Data System (ADS)

Berchem, J.; Marchaudon, A.; Bosqued, J.; Escoubet, C. P.; Dunlop, M.; Owen, C. J.; Reme, H.; Balogh, A.; Carr, C.; Fazakerley, A. N.; Cao, J. B.

2005-12-01

Synoptic measurements from the DOUBLE STAR and CLUSTER spacecraft offer a unique opportunity to evaluate global models in simulating the complex topology and dynamics of the dayside merging region. We compare observations from the DOUBLE STAR TC-1 and CLUSTER spacecraft on May 8, 2004 with the predictions from a three-dimensional magnetohydrodynamic (MHD) simulation that uses plasma and magnetic field parameters measured upstream of the bow shock by the WIND spacecraft. Results from the global simulation are consistent with the large-scale features observed by CLUSTER and TC-1. We discuss topological changes and plasma flows at the dayside magnetospheric boundary inferred from the simulation results. The simulation shows that the DOUBLE STAR spacecraft passed through the dawn side merging region as the IMF rotated. In particular, the simulation indicates that at times TC-1 was very close to the merging region. In addition, we found that the bifurcation of the merging region in the simulation results is consistent with predictions by the antiparallel merging model. However, because of the draping of the magnetosheath field lines over the magnetopause, the positions and shape of the merging region differ significantly from those predicted by the model.

INTEGRATION OF PHOTOCATALYTIC OXIDATION WITH AIR STRIPPING OF CONTAMINATED AQUIFERS

EPA Science Inventory

Bench scale laboratory studies and pilot scale studies in a simulated field-test situation were performed to evaluate the integration of gas-solid ultaviolet (UV) photocatalytic oxidation (PCO) downstream if an air stripper unit as a technology for cost-effectively treating water...

Atomistic to continuum modeling of solidification microstructures

DOE PAGES

Karma, Alain; Tourret, Damien

2015-09-26

We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked tomore » experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.« less

Close encounters with DNA

PubMed Central

Maffeo, C.; Yoo, J.; Comer, J.; Wells, D. B.; Luan, B.; Aksimentiev, A.

2014-01-01

Over the past ten years, the all-atom molecular dynamics method has grown in the scale of both systems and processes amenable to it and in its ability to make quantitative predictions about the behavior of experimental systems. The field of computational DNA research is no exception, witnessing a dramatic increase in the size of systems simulated with atomic resolution, the duration of individual simulations and the realism of the simulation outcomes. In this topical review, we describe the hallmark physical properties of DNA from the perspective of all-atom simulations. We demonstrate the amazing ability of such simulations to reveal the microscopic physical origins of experimentally observed phenomena and we review the frustrating limitations associated with imperfections of present atomic force fields and inadequate sampling. The review is focused on the following four physical properties of DNA: effective electric charge, response to an external mechanical force, interaction with other DNA molecules and behavior in an external electric field. PMID:25238560

Close encounters with DNA.

PubMed

Maffeo, C; Yoo, J; Comer, J; Wells, D B; Luan, B; Aksimentiev, A

2014-10-15

Over the past ten years, the all-atom molecular dynamics method has grown in the scale of both systems and processes amenable to it and in its ability to make quantitative predictions about the behavior of experimental systems. The field of computational DNA research is no exception, witnessing a dramatic increase in the size of systems simulated with atomic resolution, the duration of individual simulations and the realism of the simulation outcomes. In this topical review, we describe the hallmark physical properties of DNA from the perspective of all-atom simulations. We demonstrate the amazing ability of such simulations to reveal the microscopic physical origins of experimentally observed phenomena. We also discuss the frustrating limitations associated with imperfections of present atomic force fields and inadequate sampling. The review is focused on the following four physical properties of DNA: effective electric charge, response to an external mechanical force, interaction with other DNA molecules and behavior in an external electric field.

Numerical simulation of turbulence and terahertz magnetosonic waves generation in collisionless plasmas

NASA Astrophysics Data System (ADS)

Kumar, Narender; Singh, Ram Kishor; Sharma, Swati; Uma, R.; Sharma, R. P.

2018-01-01

This paper presents numerical simulations of laser beam (x-mode) coupling with a magnetosonic wave (MSW) in a collisionless plasma. The coupling arises through ponderomotive non-linearity. The pump beam has been perturbed by a periodic perturbation that leads to the nonlinear evolution of the laser beam. It is observed that the frequency spectra of the MSW have peaks at terahertz frequencies. The simulation results show quite complex localized structures that grow with time. The ensemble averaged power spectrum has also been studied which indicates that the spectral index follows an approximate scaling of the order of ˜ k-2.1 at large scales and scaling of the order of ˜ k-3.6 at smaller scales. The results indicate considerable randomness in the spatial structure of the magnetic field profile which gives sufficient indication of turbulence.

CYCLIC THERMAL SIGNATURE IN A GLOBAL MHD SIMULATION OF SOLAR CONVECTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cossette, Jean-Francois; Charbonneau, Paul; Smolarkiewicz, Piotr K.

Global magnetohydrodynamical simulations of the solar convection zone have recently achieved cyclic large-scale axisymmetric magnetic fields undergoing polarity reversals on a decadal time scale. In this Letter, we show that these simulations also display a thermal convective luminosity that varies in-phase with the magnetic cycle, and trace this modulation to deep-seated magnetically mediated changes in convective flow patterns. Within the context of the ongoing debate on the physical origin of the observed 11 yr variations in total solar irradiance, such a signature supports the thesis according to which all, or part, of the variations on decadal time scales and longermore » could be attributed to a global modulation of the Sun's internal thermal structure by magnetic activity.« less

ADVANCED URBANIZED METEOROLOGICAL MODELING AND AIR QUALITY SIMULATIONS WITH CMAQ AT NEIGHBORHOOD SCALES

EPA Science Inventory

We present results from a study testing the new boundary layer parameterization method, the canopy drag approach (DA) which is designed to explicitly simulate the effects of buildings, street and tree canopies on the dynamic, thermodynamic structure and dispersion fields in urban...

APEX Model Simulation for Row Crop Watersheds with Agroforestry and Grass Buffers

USDA-ARS?s Scientific Manuscript database

Watershed model simulation has become an important tool in studying ways and means to reduce transport of agricultural pollutants. Conducting field experiments to assess buffer influences on water quality are constrained by the large-scale nature of watersheds, high experimental costs, private owner...

Ion Dynamics Model for Collisionless Radio Frequency Sheaths

NASA Technical Reports Server (NTRS)

Bose, Deepak; Govindan, T.R.; Meyyappan, M.

2000-01-01

Full scale reactor model based on fluid equations is widely used to analyze high density plasma reactors. It is well known that the submillimeter scale sheath in front of a biased electrode supporting the wafer is difficult to resolve in numerical simulations, and the common practice is to use results for electric field from some form of analytical sheath model as boundary conditions for full scale reactor simulation. There are several sheath models in the literature ranging from Child's law to a recent unified sheath model [P. A. Miller and M. E. Riley, J. Appl. Phys. 82, 3689 (1997)l. In the present work, the cold ion fluid equations in the radio frequency sheath are solved numerically to show that the spatiotemporal variation of ion flux inside the sheath, commonly ignored in analytical models, is important in determining the electric field and ion energy at the electrode. Consequently, a semianalytical model that includes the spatiotemporal variation of ion flux is developed for use as boundary condition in reactor simulations. This semianalytical model is shown to yield results for sheath properties in close agreement with numerical solutions.

Characterising large-scale structure with the REFLEX II cluster survey

NASA Astrophysics Data System (ADS)

Chon, Gayoung

2016-10-01

We study the large-scale structure with superclusters from the REFLEX X-ray cluster survey together with cosmological N-body simulations. It is important to construct superclusters with criteria such that they are homogeneous in their properties. We lay out our theoretical concept considering future evolution of superclusters in their definition, and show that the X-ray luminosity and halo mass functions of clusters in superclusters are found to be top-heavy, different from those of clusters in the field. We also show a promising aspect of using superclusters to study the local cluster bias and mass scaling relation with simulations.

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

NASA Technical Reports Server (NTRS)

Provatas, Nikolas; Goldenfeld, Nigel; Dantzig, Jonathan A.

1999-01-01

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

VIC-CropSyst-v2: A regional-scale modeling platform to simulate the nexus of climate, hydrology, cropping systems, and human decisions

NASA Astrophysics Data System (ADS)

Malek, Keyvan; Stöckle, Claudio; Chinnayakanahalli, Kiran; Nelson, Roger; Liu, Mingliang; Rajagopalan, Kirti; Barik, Muhammad; Adam, Jennifer C.

2017-08-01

Food supply is affected by a complex nexus of land, atmosphere, and human processes, including short- and long-term stressors (e.g., drought and climate change, respectively). A simulation platform that captures these complex elements can be used to inform policy and best management practices to promote sustainable agriculture. We have developed a tightly coupled framework using the macroscale variable infiltration capacity (VIC) hydrologic model and the CropSyst agricultural model. A mechanistic irrigation module was also developed for inclusion in this framework. Because VIC-CropSyst combines two widely used and mechanistic models (for crop phenology, growth, management, and macroscale hydrology), it can provide realistic and hydrologically consistent simulations of water availability, crop water requirements for irrigation, and agricultural productivity for both irrigated and dryland systems. This allows VIC-CropSyst to provide managers and decision makers with reliable information on regional water stresses and their impacts on food production. Additionally, VIC-CropSyst is being used in conjunction with socioeconomic models, river system models, and atmospheric models to simulate feedback processes between regional water availability, agricultural water management decisions, and land-atmosphere interactions. The performance of VIC-CropSyst was evaluated on both regional (over the US Pacific Northwest) and point scales. Point-scale evaluation involved using two flux tower sites located in agricultural fields in the US (Nebraska and Illinois). The agreement between recorded and simulated evapotranspiration (ET), applied irrigation water, soil moisture, leaf area index (LAI), and yield indicated that, although the model is intended to work on regional scales, it also captures field-scale processes in agricultural areas.

Impact of large-scale atmospheric refractive structures on optical wave propagation

NASA Astrophysics Data System (ADS)

Nunalee, Christopher G.; He, Ping; Basu, Sukanta; Vorontsov, Mikhail A.; Fiorino, Steven T.

2014-10-01

Conventional techniques used to model optical wave propagation through the Earth's atmosphere typically as- sume flow fields based on various empirical relationships. Unfortunately, these synthetic refractive index fields do not take into account the influence of transient macroscale and mesoscale (i.e. larger than turbulent microscale) atmospheric phenomena. Nevertheless, a number of atmospheric structures that are characterized by various spatial and temporal scales exist which have the potential to significantly impact refractive index fields, thereby resulting dramatic impacts on optical wave propagation characteristics. In this paper, we analyze a subset of spatio-temporal dynamics found to strongly affect optical waves propagating through these atmospheric struc- tures. Analysis of wave propagation was performed in the geometrical optics approximation using a standard ray tracing technique. Using a numerical weather prediction (NWP) approach, we simulate multiple realistic atmospheric events (e.g., island wakes, low-level jets, etc.), and estimate the associated refractivity fields prior to performing ray tracing simulations. By coupling NWP model output with ray tracing simulations, we demon- strate the ability to quantitatively assess the potential impacts of coherent atmospheric phenomena on optical ray propagation. Our results show a strong impact of spatio-temporal characteristics of the refractive index field on optical ray trajectories. Such correlations validate the effectiveness of NWP models as they offer a more comprehensive representation of atmospheric refractivity fields compared to conventional methods based on the assumption of horizontal homogeneity.

Gravitational waves from non-Abelian gauge fields at a tachyonic transition

NASA Astrophysics Data System (ADS)

Tranberg, Anders; Tähtinen, Sara; Weir, David J.

2018-04-01

We compute the gravitational wave spectrum from a tachyonic preheating transition of a Standard Model-like SU(2)-Higgs system. Tachyonic preheating involves exponentially growing IR modes, at scales as large as the horizon. Such a transition at the electroweak scale could be detectable by LISA, if these non-perturbatively large modes translate into non-linear dynamics sourcing gravitational waves. Through large-scale numerical simulations, we find that the spectrum of gravitational waves does not exhibit such IR features. Instead, we find two peaks corresponding to the Higgs and gauge field mass, respectively. We find that the gravitational wave production is reduced when adding non-Abelian gauge fields to a scalar-only theory, but increases when adding Abelian gauge fields. In particular, gauge fields suppress the gravitational wave spectrum in the IR. A tachyonic transition in the early Universe will therefore not be detectable by LISA, even if it involves non-Abelian gauge fields.

Simulation modeling of forest landscape disturbances: Where do we go from here?

Treesearch

Ajith H. Perera; Brian R. Sturtevant; Lisa J. Buse

2015-01-01

It was nearly a quarter-century ago when Turner and Gardner (1991) drew attention to methods of quantifying landscape patterns and processes, including simulation modeling. The many authors who contributed to that seminal text collectively signaled the emergence of a new field—spatially explicit simulation modeling of broad-scale ecosystem dynamics. Of particular note...

Parallel methodology to capture cyclic variability in motored engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ameen, Muhsin M.; Yang, Xiaofeng; Kuo, Tang-Wei

2016-07-28

Numerical prediction of of cycle-to-cycle variability (CCV) in SI engines is extremely challenging for two key reasons: (i) high-fidelity methods such as large eddy simulation (LES) are require to accurately capture the in-cylinder turbulent flowfield, and (ii) CCV is experienced over long timescales and hence the simulations need to be performed for hundreds of consecutive cycles. In this study, a new methodology is proposed to dissociate this long time-scale problem into several shorter time-scale problems, which can considerably reduce the computational time without sacrificing the fidelity of the simulations. The strategy is to perform multiple single-cycle simulations in parallel bymore » effectively perturbing the simulation parameters such as the initial and boundary conditions. It is shown that by perturbing the initial velocity field effectively based on the intensity of the in-cylinder turbulence, the mean and variance of the in-cylinder flowfield is captured reasonably well. Adding perturbations in the initial pressure field and the boundary pressure improves the predictions. It is shown that this new approach is able to give accurate predictions of the flowfield statistics in less than one-tenth of time required for the conventional approach of simulating consecutive engine cycles.« less

Anticipating on amplifying water stress: Optimal crop production supported by anticipatory water management

NASA Astrophysics Data System (ADS)

Bartholomeus, Ruud; van den Eertwegh, Gé; Simons, Gijs

2015-04-01

Agricultural crop yields depend largely on the soil moisture conditions in the root zone. Drought but especially an excess of water in the root zone and herewith limited availability of soil oxygen reduces crop yield. With ongoing climate change, more prolonged dry periods alternate with more intensive rainfall events, which changes soil moisture dynamics. With unaltered water management practices, reduced crop yield due to both drought stress and waterlogging will increase. Therefore, both farmers and water management authorities need to be provided with opportunities to reduce risks of decreasing crop yields. In The Netherlands, agricultural production of crops represents a market exceeding 2 billion euros annually. Given the increased variability in meteorological conditions and the resulting larger variations in soil moisture contents, it is of large economic importance to provide farmers and water management authorities with tools to mitigate risks of reduced crop yield by anticipatory water management, both at field and at regional scale. We provide the development and the field application of a decision support system (DSS), which allows to optimize crop yield by timely anticipation on drought and waterlogging situations. By using this DSS, we will minimize plant water stress through automated drainage and irrigation management. In order to optimize soil moisture conditions for crop growth, the interacting processes in the soil-plant-atmosphere system need to be considered explicitly. Our study comprises both the set-up and application of the DSS on a pilot plot in The Netherlands, in order to evaluate its implementation into daily agricultural practice. The DSS focusses on anticipatory water management at the field scale, i.e. the unit scale of interest to a farmer. We combine parallel field measurements ('observe'), process-based model simulations ('predict'), and the novel Climate Adaptive Drainage (CAD) system ('adjust') to optimize soil moisture conditions. CAD is used both for controlled drainage practices and for sub-irrigation. The DSS has a core of the plot-scale SWAP model (soil-water-atmosphere-plant), extended with a process-based module for the simulation of oxygen stress for plant roots. This module involves macro-scale and micro-scale gas diffusion, as well as the plant physiological demand of oxygen, to simulate transpiration reduction due to limited oxygen availability. Continuous measurements of soil moisture content, groundwater level, and drainage level are used to calibrate the SWAP model each day. This leads to an optimal reproduction of the actual soil moisture conditions by data assimilation in the first step in the DSS process. During the next step, near-future (+10 days) soil moisture conditions and drought and oxygen stress are predicted using weather forecasts. Finally, optimal drainage levels to minimize stress are simulated, which can be established by CAD. Linkage to a grid-based hydrological simulation model (SPHY) facilitates studying the spatial dynamics of soil moisture and associated implications for management at the regional scale. Thus, by using local-scale measurements, process-based models and weather forecasts to anticipate on near-future conditions, not only field-scale water management but also regional surface water management can be optimized both in space and time.

Comparing field investigations with laboratory models to predict landfill leachate emissions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fellner, Johann; Doeberl, Gernot; Allgaier, Gerhard

2009-06-15

Investigations into laboratory reactors and landfills are used for simulating and predicting emissions from municipal solid waste landfills. We examined water flow and solute transport through the same waste body for different volumetric scales (laboratory experiment: 0.08 m{sup 3}, landfill: 80,000 m{sup 3}), and assessed the differences in water flow and leachate emissions of chloride, total organic carbon and Kjeldahl nitrogen. The results indicate that, due to preferential pathways, the flow of water in field-scale landfills is less uniform than in laboratory reactors. Based on tracer experiments, it can be discerned that in laboratory-scale experiments around 40% of pore watermore » participates in advective solute transport, whereas this fraction amounts to less than 0.2% in the investigated full-scale landfill. Consequences of the difference in water flow and moisture distribution are: (1) leachate emissions from full-scale landfills decrease faster than predicted by laboratory experiments, and (2) the stock of materials remaining in the landfill body, and thus the long-term emission potential, is likely to be underestimated by laboratory landfill simulations.« less

Rossby waves and two-dimensional turbulence in a large-scale zonal jet

NASA Technical Reports Server (NTRS)

Shepherd, Theodor G.

1987-01-01

Homogeneous barotropic beta-plane turbulence is investigated, taking into account the effects of spatial inhomogeneity in the form of a zonal shear flows. Attention is given to the case of zonal flows that are barotropically stable and of larger scale than the resulting transient eddy field. Numerical simulations reveal that large-scale zonal flows alter the picture of classical beta-plane turbulence. It is found that the disturbance field penetrates to the largest scales of motion, that the larger disturbance scales show a tendency to meridional rather than zonal anisotropy, and that the initial spectral transfer rate away from an isotropic intermediate-scale source is enhanced by the shear-induced transfer associated with straining by the zonal flow.

Formation of collisionless shocks in magnetized plasma interaction with kinetic-scale obstacles

DOE PAGES

Cruz, F.; Alves, E. P.; Bamford, R. A.; ...

2017-02-06

We investigate the formation of collisionless magnetized shocks triggered by the interaction between magnetized plasma flows and miniature-sized (order of plasma kinetic-scales) magnetic obstacles resorting to massively parallel, full particle-in-cell simulations, including the electron kinetics. The critical obstacle size to generate a compressed plasma region ahead of these objects is determined by independently varying the magnitude of the dipolar magnetic moment and the plasma magnetization. Here we find that the effective size of the obstacle depends on the relative orientation between the dipolar and plasma internal magnetic fields, and we show that this may be critical to form a shockmore » in small-scale structures. We also study the microphysics of the magnetopause in different magnetic field configurations in 2D and compare the results with full 3D simulations. Finally, we evaluate the parameter range where such miniature magnetized shocks can be explored in laboratory experiments.« less

Laboratory and Field Evaluation of Rapid Setting Cementitious Materials for Large Crater Repair

DTIC Science & Technology

2010-05-01

frame used within which to complete the repair was the current NATO standard of 4 hr. A total of 6 simulated craters were prepared, with each repair...Combat Command 129 Andrews Street Langley Air Force Base, VA 23665 ERDC TR-10-4 ii Abstract: Current practice for expedient runway repair...penalty. Numerous commercial products are available. A full-scale field test was conducted using rapid setting materials to repair simulated bomb craters

Mechanical Chevrons and Fluidics for Advanced Military Aircraft Noise Reduction

DTIC Science & Technology

2011-03-01

at or near the nozzle lip. Therefore, for the problem at hand, the simulations will need to accurately capture shock waves , unsteady large-scale...simulations could accurately capture the flow field and near-field noise from representative jet engine nozzles and indeed this was a go/no-go...mixing noise. The first two types of noise are related to the shock waves that are present in the high-speed jet flow. While the mixing noise

Turbulence in Three-Dimensional Simulations of Magnetopause Reconnection

NASA Astrophysics Data System (ADS)

Price, L.; Swisdak, M.; Drake, J. F.; Burch, J. L.; Cassak, P. A.; Ergun, R. E.

2017-11-01

We present detailed analysis of the turbulence observed in three-dimensional particle-in-cell simulations of magnetic reconnection at the magnetopause. The parameters are representative of an electron diffusion region encounter of the Magnetospheric Multiscale (MMS) mission. The turbulence is found to develop around both the magnetic X line and separatrices, is electromagnetic in nature, is characterized by a wave vector k given by kρe˜(meTe/miTi)0.25 with ρe the electron Larmor radius, and appears to have the ion pressure gradient as its source of free energy. Taken together, these results suggest the instability is a variant of the lower hybrid drift instability. The turbulence produces electric field fluctuations in the out-of-plane direction (the direction of the reconnection electric field) with an amplitude of around ±10 mV/m, which is much greater than the reconnection electric field of around 0.1 mV/m. Such large values of the out-of-plane electric field have been identified in the MMS data. The turbulence in the simulations controls the scale lengths of the density profile and current layers in asymmetric reconnection, driving them closer to √{ρeρi} than the ρe or de scalings seen in 2-D reconnection simulations, and produces significant anomalous resistivity and viscosity in the electron diffusion region.

Vorticity scaling and intermittency in drift-interchange plasma turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dura, P. D.; Hnat, B.; Robinson, J.

2012-09-15

The effects of spatially varying magnetic field strength on the scaling properties of plasma turbulence, modelled by an extended form of Hasegawa-Wakatani model, are investigated. We study changes in the intermittency of the velocity, density, and vorticity fields, as functions of the magnetic field inhomogeneity C=-{partial_derivative} ln B/{partial_derivative}x. While the velocity fluctuations are always self-similar and their scaling is unaffected by the value of C, the intermittency levels in density and vorticity change with parameter C, reflecting morphological changes in the coherent structures due to the interchange mechanism. Given the centrality of vorticity in conditioning plasma transport, this result ismore » of interest in scaling the results of transport measurements and simulations in tokamak edge plasmas, where drift-interchange turbulence in the presence of a magnetic field gradient is likely to occur.« less

A unified large/small-scale dynamo in helical turbulence

NASA Astrophysics Data System (ADS)

Bhat, Pallavi; Subramanian, Kandaswamy; Brandenburg, Axel

2016-09-01

We use high resolution direct numerical simulations (DNS) to show that helical turbulence can generate significant large-scale fields even in the presence of strong small-scale dynamo action. During the kinematic stage, the unified large/small-scale dynamo grows fields with a shape-invariant eigenfunction, with most power peaked at small scales or large k, as in Subramanian & Brandenburg. Nevertheless, the large-scale field can be clearly detected as an excess power at small k in the negatively polarized component of the energy spectrum for a forcing with positively polarized waves. Its strength overline{B}, relative to the total rms field Brms, decreases with increasing magnetic Reynolds number, ReM. However, as the Lorentz force becomes important, the field generated by the unified dynamo orders itself by saturating on successively larger scales. The magnetic integral scale for the positively polarized waves, characterizing the small-scale field, increases significantly from the kinematic stage to saturation. This implies that the small-scale field becomes as coherent as possible for a given forcing scale, which averts the ReM-dependent quenching of overline{B}/B_rms. These results are obtained for 10243 DNS with magnetic Prandtl numbers of PrM = 0.1 and 10. For PrM = 0.1, overline{B}/B_rms grows from about 0.04 to about 0.4 at saturation, aided in the final stages by helicity dissipation. For PrM = 10, overline{B}/B_rms grows from much less than 0.01 to values of the order the 0.2. Our results confirm that there is a unified large/small-scale dynamo in helical turbulence.

Antiferroelectric polarization switching and dynamic scaling of energy storage: A Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Huang, B. Y.; Lu, Z. X.; Zhang, Y.; Xie, Y. L.; Zeng, M.; Yan, Z. B.; Liu, J.-M.

2016-05-01

The polarization-electric field hysteresis loops and the dynamics of polarization switching in a two-dimensional antiferroelectric (AFE) lattice submitted to a time-oscillating electric field E(t) of frequency f and amplitude E0, is investigated using Monte Carlo simulation based on the Landau-Devonshire phenomenological theory on antiferroelectrics. It is revealed that the AFE double-loop hysteresis area A, i.e., the energy loss in one cycle of polarization switching, exhibits the single-peak frequency dispersion A(f), suggesting the unique characteristic time for polarization switching, which is independent of E0 as long as E0 is larger than the quasi-static coercive field for the antiferroelectric-ferroelectric transitions. However, the dependence of recoverable stored energy W on amplitude E0 seems to be complicated depending on temperature T and frequency f. A dynamic scaling behavior of the energy loss dispersion A(f) over a wide range of E0 is obtained, confirming the unique characteristic time for polarization switching of an AFE lattice. The present simulation may shed light on the dynamics of energy storage and release in AFE thin films.

Implementation of the infinite-range exterior complex scaling to the time-dependent complete-active-space self-consistent-field method

NASA Astrophysics Data System (ADS)

Orimo, Yuki; Sato, Takeshi; Scrinzi, Armin; Ishikawa, Kenichi L.

2018-02-01

We present a numerical implementation of the infinite-range exterior complex scaling [Scrinzi, Phys. Rev. A 81, 053845 (2010), 10.1103/PhysRevA.81.053845] as an efficient absorbing boundary to the time-dependent complete-active-space self-consistent field method [Sato, Ishikawa, Březinová, Lackner, Nagele, and Burgdörfer, Phys. Rev. A 94, 023405 (2016), 10.1103/PhysRevA.94.023405] for multielectron atoms subject to an intense laser pulse. We introduce Gauss-Laguerre-Radau quadrature points to construct discrete variable representation basis functions in the last radial finite element extending to infinity. This implementation is applied to strong-field ionization and high-harmonic generation in He, Be, and Ne atoms. It efficiently prevents unphysical reflection of photoelectron wave packets at the simulation boundary, enabling accurate simulations with substantially reduced computational cost, even under significant (≈50 % ) double ionization. For the case of a simulation of high-harmonic generation from Ne, for example, 80% cost reduction is achieved, compared to a mask-function absorption boundary.

A new battery-charging method suggested by molecular dynamics simulations.

PubMed

Abou Hamad, Ibrahim; Novotny, M A; Wipf, D O; Rikvold, P A

2010-03-20

Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a lithium-ion battery in a fraction of the time needed when using traditional methods. This charging method uses an additional applied oscillatory electric field. Our simulation results show that this charging method offers a great reduction in the average intercalation time for Li(+) ions, which dominates the charging time. The oscillating field not only increases the diffusion rate of Li(+) ions in the electrolyte but, more importantly, also enhances intercalation by lowering the corresponding overall energy barrier.

Simulated Van Allen Belts Generated by Plasma Thruster in Tank 5

NASA Image and Video Library

1966-09-21

The model of the Earth housed inside Vacuum Tank 5 contained a coil which produced a magnetic field simulating that of the Earth. It was bombarded with a stream of ionized particles simulating the solar wind which impinges on the Earth's magnetic field. The bands or belts of luminous plasma seen in this image were suggestive of the Van Allen belts found around the Earth. Scientists at Lewis probed the plasma around the model and studied scaling laws in an attempt to find an explanation for the actual formation of the Van Allen belt.

Field Scale Monitoring and Modeling of Water and Chemical Transfer in the Vadose Zone

USDA-ARS?s Scientific Manuscript database

Natural resource systems involve highly complex interactions of soil-plant-atmosphere-management components that are extremely difficult to quantitatively describe. Computer simulations for prediction and management of watersheds, water supply areas, and agricultural fields and farms have become inc...

STOCHASTIC SIMULATION OF FIELD-SCALE PESTICIDE TRANSPORT USING OPUS AND GLEAMS

EPA Science Inventory

Incorporating variability in soil and chemical properties into root zone leaching models should provide a better representation of pollutant distribution in natural field conditions. Our objective was to determine if a more mechanistic rate-based model (Opus) would predict soil w...

Radiation from Relativistic Jets

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Mizuno, Y.; Hardee, P.; Sol, H.; Medvedev, M.; Zhang, B.; Nordlund, A.; Frederiksen, J. T.; Fishman, G. J.; Preece, R.

2008-01-01

Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electron-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the presence of relativistic jets, instabilities such as the Buneman instability, other two-streaming instability, and the Weibel (filamentation) instability create collisionless shocks, which are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The 'jitter' radiation from deflected electrons in small-scale magnetic fields has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation, a case of diffusive synchrotron radiation, may be important to understand the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

LES versus DNS: A comparative study

NASA Technical Reports Server (NTRS)

Shtilman, L.; Chasnov, J. R.

1992-01-01

We have performed Direct Numerical Simulations (DNS) and Large Eddy Simulations (LES) of forced isotropic turbulence at moderate Reynolds numbers. The subgrid scale model used in the LES is based on an eddy viscosity which adjusts instantaneously the energy spectrum of the LES to that of the DNS. The statistics of the large scales of the DNS (filtered DNS field or fDNS) are compared to that of the LES. We present results for the transfer spectra, the skewness and flatness factors of the velocity components, the PDF's of the angle between the vorticity and the eigenvectors of the rate of strain, and that between the vorticity and the vorticity stretching tensor. The above LES statistics are found to be in good agreement with those measured in the fDNS field. We further observe that in all the numerical measurements, the trend was for the LES field to be more gaussian than the fDNS field. Future research on this point is planned.

Observational Signatures of Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, R. B.; Einaudi, G.; Ugarte-Urra, I.; Warren, H. P.; Rappazzo, A. F.; Velli, M.; Taylor, B.

2016-12-01

Recent research on observational signatures of turbulent heating of a coronal loop will be discussed. The evolution of the loop is is studied by means of numericalsimulations of the fully compressible three-dimensionalmagnetohydrodynamic equations using the HYPERION code. HYPERION calculates the full energy cycle involving footpoint convection, magnetic reconnection,nonlinear thermal conduction and optically thin radiation.The footpoints of the loop magnetic field are convected by random photospheric motions. As a consequence the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is non-uniformly distributed so that only a fraction of thecoronal mass and volume gets heated at any time. Temperature and density are highly structured at scales which, in the solar corona, remain observationally unresolved: the plasma of the simulated loop is multi-thermal, where highly dynamical hotter and cooler plasma strands arescattered throughout the loop at sub-observational scales. Typical simulated coronal loops are 50000 km length and have axial magnetic field intensities ranging from 0.01 to 0.04 Tesla.To connect these simulations to observations the computed numberdensities and temperatures are used to synthesize the intensities expected inemission lines typically observed with the Extreme ultraviolet Imaging Spectrometer(EIS) on Hinode. These intensities are then employed to compute differentialemission measure distributions, which are found to be very similar to those derivedfrom observations of solar active regions.

Thermal runaway of metal nano-tips during intense electron emission

NASA Astrophysics Data System (ADS)

Kyritsakis, A.; Veske, M.; Eimre, K.; Zadin, V.; Djurabekova, F.

2018-06-01

When an electron emitting tip is subjected to very high electric fields, plasma forms even under ultra high vacuum conditions. This phenomenon, known as vacuum arc, causes catastrophic surface modifications and constitutes a major limiting factor not only for modern electron sources, but also for many large-scale applications such as particle accelerators, fusion reactors etc. Although vacuum arcs have been studied thoroughly, the physical mechanisms that lead from intense electron emission to plasma ignition are still unclear. In this article, we give insights to the atomic scale processes taking place in metal nanotips under intense field emission conditions. We use multi-scale atomistic simulations that concurrently include field-induced forces, electron emission with finite-size and space-charge effects, Nottingham and Joule heating. We find that when a sufficiently high electric field is applied to the tip, the emission-generated heat partially melts it and the field-induced force elongates and sharpens it. This initiates a positive feedback thermal runaway process, which eventually causes evaporation of large fractions of the tip. The reported mechanism can explain the origin of neutral atoms necessary to initiate plasma, a missing key process required to explain the ignition of a vacuum arc. Our simulations provide a quantitative description of in the conditions leading to runaway, which shall be valuable for both field emission applications and vacuum arc studies.

Sensitivity of CEAP cropland simulations to the parameterization of the APEX model

USDA-ARS?s Scientific Manuscript database

For large scale applications like the U.S. National Scale Conservation Effects Assessment Project (CEAP), soil hydraulic characteristics data are not readily available and therefore need to be estimated. Field soil water properties are commonly approximated using laboratory soil water retention meas...

Development of Gridded Fields of Urban Canopy Parameters for Advanced Urban Meteorological and Air Quality Models

EPA Science Inventory

Urban dispersion and air quality simulation models applied at various horizontal scales require different levels of fidelity for specifying the characteristics of the underlying surfaces. As the modeling scales approach the neighborhood level (~1 km horizontal grid spacing), the...

Evaluation of the Logistic Model for GAC Performance in Water Treatment

EPA Science Inventory

Full-scale field measurement and rapid small-scale column test data from the Greater Cincinnati (Ohio) Water Works (GCWW) were used to calibrate and investigate the application of the logistic model for simulating breakthrough of total organic carbon (TOC) in granular activated c...

Molecular dynamics simulations of polarizable DNA in crystal environment

NASA Astrophysics Data System (ADS)

Babin, Volodymyr; Baucom, Jason; Darden, Thomas A.; Sagui, Celeste

We have investigated the role of the electrostatic description and cell environment in molecular dynamics (MD) simulations of DNA. Multiple unrestrained MD simulations of the DNA duplex d(CCAACGTTGG)2 have been carried out using two different force fields: a traditional description based on atomic point charges and a polarizable force field. For the time scales probed, and given the ?right? distribution of divalent ions, the latter performs better than the nonpolarizable force field. In particular, by imposing the experimental unit cell environment, an initial configuration with ideal B-DNA duplexes in the unit cell acquires sequence-dependent features that very closely resemble the crystallographic ones. Simultaneously, the all-atom root-mean-square coordinates deviation (RMSD) with respect to the crystallographic structure is seen to decay. At later times, the polarizable force field is able to maintain this lower RMSD, while the nonpolarizable force field starts to drift away.

A cooperation and competition based simple cell receptive field model and study of feed-forward linear and nonlinear contributions to orientation selectivity.

PubMed

Bhaumik, Basabi; Mathur, Mona

2003-01-01

We present a model for development of orientation selectivity in layer IV simple cells. Receptive field (RF) development in the model, is determined by diffusive cooperation and resource limited competition guided axonal growth and retraction in geniculocortical pathway. The simulated cortical RFs resemble experimental RFs. The receptive field model is incorporated in a three-layer visual pathway model consisting of retina, LGN and cortex. We have studied the effect of activity dependent synaptic scaling on orientation tuning of cortical cells. The mean value of hwhh (half width at half the height of maximum response) in simulated cortical cells is 58 degrees when we consider only the linear excitatory contribution from LGN. We observe a mean improvement of 22.8 degrees in tuning response due to the non-linear spiking mechanisms that include effects of threshold voltage and synaptic scaling factor.

Dynamical downscaling of wind fields for wind power applications

NASA Astrophysics Data System (ADS)

Mengelkamp, H.-T.; Huneke, S.; Geyer, J.

2010-09-01

Dynamical downscaling of wind fields for wind power applications H.-T. Mengelkamp*,**, S. Huneke**, J, Geyer** *GKSS Research Center Geesthacht GmbH **anemos Gesellschaft für Umweltmeteorologie mbH Investments in wind power require information on the long-term mean wind potential and its temporal variations on daily to annual and decadal time scales. This information is rarely available at specific wind farm sites. Short-term on-site measurements usually are only performed over a 12 months period. These data have to be set into the long-term perspective through correlation to long-term consistent wind data sets. Preliminary wind information is often asked for to select favourable wind sites over regional and country wide scales. Lack of high-quality wind measurements at weather stations was the motivation to start high resolution wind field simulations The simulations are basically a refinement of global scale reanalysis data by means of high resolution simulations with an atmospheric mesoscale model using high-resolution terrain and land-use data. The 3-dimensional representation of the atmospheric state available every six hours at 2.5 degree resolution over the globe, known as NCAR/NCEP reanalysis data, forms the boundary conditions for continuous simulations with the non-hydrostatic atmospheric mesoscale model MM5. MM5 is nested in itself down to a horizontal resolution of 5 x 5 km². The simulation is performed for different European countries and covers the period 2000 to present and is continuously updated. Model variables are stored every 10 minutes for various heights. We have analysed the wind field primarily. The wind data set is consistent in space and time and provides information on the regional distribution of the long-term mean wind potential, the temporal variability of the wind potential, the vertical variation of the wind potential, and the temperature, and pressure distribution (air density). In the context of wind power these data are used • as an initial estimate of wind and energy potential • for the long-term correlation of wind measurements and turbine production data • to provide wind potential maps on a regional to country wide scale • to provide input data sets for simulation models • to determine the spatial correlation of the wind field in portfolio calculations • to calculate the wind turbine energy loss during prescribed downtimes • to provide information on the temporal variations of the wind and wind turbine energy production The time series of wind speed and wind direction are compared to measurements at offshore and onshore locations.

Atomistic Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Shan, Tzu-Ray; Wixom, Ryan; Yarrington, Cole; Thompson, Aidan

2015-06-01

We report on the effect of cylindrical voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations and by comparing the primary dissociation pathway to ab initio calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating through the HNS crystal along the [010] orientation are performed with an impact velocity (or particle velocity) of 1.25 km/s, resulting in shockwave propagation at 4.0 km/s in the bulk material and a bulk shock pressure of ~ 11GPa. The effect of cylindrical void sizes varying from 0.02 to 0.1 μm on hot spot formation and growth rate has been studied. Interaction between multiple voids in the HNS crystal and its effect on hot spot formation will also be addressed. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Structures and Intermittency in a Passive Scalar Model

NASA Astrophysics Data System (ADS)

Vergassola, M.; Mazzino, A.

1997-09-01

Perturbative expansions for intermittency scaling exponents in the Kraichnan passive scalar model [Phys. Rev. Lett. 72, 1016 (1994)] are investigated. A one-dimensional compressible model is considered for this purpose. High resolution Monte Carlo simulations using an Ito approach adapted to an advecting velocity field with a very short correlation time are performed and lead to clean scaling behavior for passive scalar structure functions. Perturbative predictions for the scaling exponents around the Gaussian limit of the model are derived as in the Kraichnan model. Their comparison with the simulations indicates that the scale-invariant perturbative scheme correctly captures the inertial range intermittency corrections associated with the intense localized structures observed in the dynamics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Rakesh K.; Poppenhaeger, Katja; Wolk, Scott J.

Despite the lack of a shear-rich tachocline region, low-mass fully convective (FC) stars are capable of generating strong magnetic fields, indicating that a dynamo mechanism fundamentally different from the solar dynamo is at work in these objects. We present a self-consistent three-dimensional model of magnetic field generation in low-mass FC stars. The model utilizes the anelastic magnetohydrodynamic equations to simulate compressible convection in a rotating sphere. A distributed dynamo working in the model spontaneously produces a dipole-dominated surface magnetic field of the observed strength. The interaction of this field with the turbulent convection in outer layers shreds it, producing small-scalemore » fields that carry most of the magnetic flux. The Zeeman–Doppler-Imaging technique applied to synthetic spectropolarimetric data based on our model recovers most of the large-scale field. Our model simultaneously reproduces the morphology and magnitude of the large-scale field as well as the magnitude of the small-scale field observed on low-mass FC stars.« less

Coarse-coded higher-order neural networks for PSRI object recognition. [position, scale, and rotation invariant

NASA Technical Reports Server (NTRS)

Spirkovska, Lilly; Reid, Max B.

1993-01-01

A higher-order neural network (HONN) can be designed to be invariant to changes in scale, translation, and inplane rotation. Invariances are built directly into the architecture of a HONN and do not need to be learned. Consequently, fewer training passes and a smaller training set are required to learn to distinguish between objects. The size of the input field is limited, however, because of the memory required for the large number of interconnections in a fully connected HONN. By coarse coding the input image, the input field size can be increased to allow the larger input scenes required for practical object recognition problems. We describe a coarse coding technique and present simulation results illustrating its usefulness and its limitations. Our simulations show that a third-order neural network can be trained to distinguish between two objects in a 4096 x 4096 pixel input field independent of transformations in translation, in-plane rotation, and scale in less than ten passes through the training set. Furthermore, we empirically determine the limits of the coarse coding technique in the object recognition domain.

Relativistic jets without large-scale magnetic fields

NASA Astrophysics Data System (ADS)

Parfrey, K.; Giannios, D.; Beloborodov, A.

2014-07-01

The canonical model of relativistic jets from black holes requires a large-scale ordered magnetic field to provide a significant magnetic flux through the ergosphere--in the Blandford-Znajek process, the jet power scales with the square of the magnetic flux. In many jet systems the presence of the required flux in the environment of the central engine is questionable. I will describe an alternative scenario, in which jets are produced by the continuous sequential accretion of small magnetic loops. The magnetic energy stored in these coronal flux systems is amplified by the differential rotation of the accretion disc and by the rotating spacetime of the black hole, leading to runaway field line inflation, magnetic reconnection in thin current layers, and the ejection of discrete bubbles of Poynting-flux-dominated plasma. For illustration I will show the results of general-relativistic force-free electrodynamic simulations of rotating black hole coronae, performed using a new resistivity model. The dissipation of magnetic energy by coronal reconnection events, as demonstrated in these simulations, is a potential source of the observed high-energy emission from accreting compact objects.

Technique for forcing high Reynolds number isotropic turbulence in physical space

NASA Astrophysics Data System (ADS)

Palmore, John A.; Desjardins, Olivier

2018-03-01

Many common engineering problems involve the study of turbulence interaction with other physical processes. For many such physical processes, solutions are expressed most naturally in physical space, necessitating the use of physical space solutions. For simulating isotropic turbulence in physical space, linear forcing is a commonly used strategy because it produces realistic turbulence in an easy-to-implement formulation. However, the method resolves a smaller range of scales on the same mesh than spectral forcing. We propose an alternative approach for turbulence forcing in physical space that uses the low-pass filtered velocity field as the basis of the forcing term. This method is shown to double the range of scales captured by linear forcing while maintaining the flexibility and low computational cost of the original method. This translates to a 60% increase of the Taylor microscale Reynolds number on the same mesh. An extension is made to scalar mixing wherein a scalar field is forced to have an arbitrarily chosen, constant variance. Filtered linear forcing of the scalar field allows for control over the length scale of scalar injection, which could be important when simulating scalar mixing.

IslandFAST: A Semi-numerical Tool for Simulating the Late Epoch of Reionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yidong; Chen, Xuelei; Yue, Bin

2017-08-01

We present the algorithm and main results of our semi-numerical simulation, islandFAST, which was developed from 21cmFAST and designed for the late stage of reionization. The islandFAST simulation predicts the evolution and size distribution of the large-scale underdense neutral regions (neutral islands), and we find that the late Epoch of Reionization proceeds very fast, showing a characteristic scale of the neutral islands at each redshift. Using islandFAST, we compare the impact of two types of absorption systems, i.e., the large-scale underdense neutral islands versus small-scale overdense absorbers, in regulating the reionization process. The neutral islands dominate the morphology of themore » ionization field, while the small-scale absorbers dominate the mean-free path of ionizing photons, and also delay and prolong the reionization process. With our semi-numerical simulation, the evolution of the ionizing background can be derived self-consistently given a model for the small absorbers. The hydrogen ionization rate of the ionizing background is reduced by an order of magnitude in the presence of dense absorbers.« less

What determines the direction of minimum variance of the magnetic field fluctuations in the solar wind?

NASA Technical Reports Server (NTRS)

Grappin, R.; Velli, M.

1995-01-01

The solar wind is not an isotropic medium; two symmetry axis are provided, first the radial direction (because the mean wind is radial) and second the spiral direction of the mean magnetic field, which depends on heliocentric distance. Observations show very different anisotropy directions, depending on the frequency waveband; while the large-scale velocity fluctuations are essentially radial, the smaller scale magnetic field fluctuations are mostly perpendicular to the mean field direction, which is not the expected linear (WkB) result. We attempt to explain how these properties are related, with the help of numerical simulations.

RANS Simulation (Rotating Reference Frame Model [RRF]) of Single Lab-Scaled DOE RM1 MHK Turbine

DOE Data Explorer

Javaherchi, Teymour; Stelzenmuller, Nick; Aliseda, Alberto; Seydel, Joseph

2014-04-15

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study taking advantage of the symmetry of lab-scaled DOE RM1 geometry, only half of the geometry is models using (Single) Rotating Reference Frame model [RRF]. In this model RANS equations, coupled with k-\\omega turbulence closure model, are solved in the rotating reference frame. The actual geometry of the turbine blade is included and the turbulent boundary layer along the blade span is simulated using wall-function approach. The rotation of the blade is modeled by applying periodic boundary condition to sets of plane of symmetry. This case study simulates the performance and flow field in the near and far wake of the device at the desired operating conditions. The results of these simulations were validated against in-house experimental data. Please see the attached paper.

Revisiting the cape cod bacteria injection experiment using a stochastic modeling approach

USGS Publications Warehouse

Maxwell, R.M.; Welty, C.; Harvey, R.W.

2007-01-01

Bromide and resting-cell bacteria tracer tests conducted in a sandy aquifer at the U.S. Geological Survey Cape Cod site in 1987 were reinterpreted using a three-dimensional stochastic approach. Bacteria transport was coupled to colloid filtration theory through functional dependence of local-scale colloid transport parameters upon hydraulic conductivity and seepage velocity in a stochastic advection - dispersion/attachment - detachment model. Geostatistical information on the hydraulic conductivity (K) field that was unavailable at the time of the original test was utilized as input. Using geostatistical parameters, a groundwater flow and particle-tracking model of conservative solute transport was calibrated to the bromide-tracer breakthrough data. An optimization routine was employed over 100 realizations to adjust the mean and variance ofthe natural-logarithm of hydraulic conductivity (InK) field to achieve best fit of a simulated, average bromide breakthrough curve. A stochastic particle-tracking model for the bacteria was run without adjustments to the local-scale colloid transport parameters. Good predictions of mean bacteria breakthrough were achieved using several approaches for modeling components of the system. Simulations incorporating the recent Tufenkji and Elimelech (Environ. Sci. Technol. 2004, 38, 529-536) correlation equation for estimating single collector efficiency were compared to those using the older Rajagopalan and Tien (AIChE J. 1976, 22, 523-533) model. Both appeared to work equally well at predicting mean bacteria breakthrough using a constant mean bacteria diameter for this set of field conditions. Simulations using a distribution of bacterial cell diameters available from original field notes yielded a slight improvement in the model and data agreement compared to simulations using an average bacterial diameter. The stochastic approach based on estimates of local-scale parameters for the bacteria-transport process reasonably captured the mean bacteria transport behavior and calculated an envelope of uncertainty that bracketed the observations in most simulation cases. ?? 2007 American Chemical Society.

Dual-scale phase-field simulation of Mg-Al alloy solidification

NASA Astrophysics Data System (ADS)

Monas, A.; Shchyglo, O.; Höche, D.; Tegeler, M.; Steinbach, I.

2015-06-01

Phase-field simulations of the nucleation and growth of primary α-Mg phase as well as secondary, β-phase of a Mg-Al alloy are presented. The nucleation model for α- and β-Mg phases is based on the “free growth model” by Greer et al.. After the α-Mg phase solidification we study a divorced eutectic growth of α- and β-Mg phases in a zoomed in melt channel between α-phase dendrites. The simulated cooling curves and final microstructures of α-grains are compared with experiments. In order to further enhance the resolution of the interdendritic region a high-performance computing approach has been used allowing significant simulation speed gain when using supercomputing facilities.

Evaluation of rainfall structure on hydrograph simulation: Comparison of radar and interpolated methods, a study case in a tropical catchment

NASA Astrophysics Data System (ADS)

Velasquez, N.; Ochoa, A.; Castillo, S.; Hoyos Ortiz, C. D.

2017-12-01

The skill of river discharge simulation using hydrological models strongly depends on the quality and spatio-temporal representativeness of precipitation during storm events. All precipitation measurement strategies have their own strengths and weaknesses that translate into discharge simulation uncertainties. Distributed hydrological models are based on evolving rainfall fields in the same time scale as the hydrological simulation. In general, rainfall measurements from a dense and well maintained rain gauge network provide a very good estimation of the total volume for each rainfall event, however, the spatial structure relies on interpolation strategies introducing considerable uncertainty in the simulation process. On the other hand, rainfall retrievals from radar reflectivity achieve a better spatial structure representation but with higher uncertainty in the surface precipitation intensity and volume depending on the vertical rainfall characteristics and radar scan strategy. To assess the impact of both rainfall measurement methodologies on hydrological simulations, and in particular the effects of the rainfall spatio-temporal variability, a numerical modeling experiment is proposed including the use of a novel QPE (Quantitative Precipitation Estimation) method based on disdrometer data in order to estimate surface rainfall from radar reflectivity. The experiment is based on the simulation of 84 storms, the hydrological simulations are carried out using radar QPE and two different interpolation methods (IDW and TIN), and the assessment of simulated peak flow. Results show significant rainfall differences between radar QPE and the interpolated fields, evidencing a poor representation of storms in the interpolated fields, which tend to miss the precise location of the intense precipitation cores, and to artificially generate rainfall in some areas of the catchment. Regarding streamflow modelling, the potential improvement achieved by using radar QPE depends on the density of the rain gauge network and its distribution relative to the precipitation events. The results for the 84 storms show a better model skill using radar QPE than the interpolated fields. Results using interpolated fields are highly affected by the dominant rainfall type and the basin scale.

Impinging laminar jets at moderate Reynolds numbers and separation distances.

PubMed

Bergthorson, Jeffrey M; Sone, Kazuo; Mattner, Trent W; Dimotakis, Paul E; Goodwin, David G; Meiron, Dan I

2005-12-01

An experimental and numerical study of impinging, incompressible, axisymmetric, laminar jets is described, where the jet axis of symmetry is aligned normal to the wall. Particle streak velocimetry (PSV) is used to measure axial velocities along the centerline of the flow field. The jet-nozzle pressure drop is measured simultaneously and determines the Bernoulli velocity. The flow field is simulated numerically by an axisymmetric Navier-Stokes spectral-element code, an axisymmetric potential-flow model, and an axisymmetric one-dimensional stream-function approximation. The axisymmetric viscous and potential-flow simulations include the nozzle in the solution domain, allowing nozzle-wall proximity effects to be investigated. Scaling the centerline axial velocity by the Bernoulli velocity collapses the experimental velocity profiles onto a single curve that is independent of the nozzle-to-plate separation distance. Axisymmetric direct numerical simulations yield good agreement with experiment and confirm the velocity profile scaling. Potential-flow simulations reproduce the collapse of the data; however, viscous effects result in disagreement with experiment. Axisymmetric one-dimensional stream-function simulations can predict the flow in the stagnation region if the boundary conditions are correctly specified. The scaled axial velocity profiles are well characterized by an error function with one Reynolds-number-dependent parameter. Rescaling the wall-normal distance by the boundary-layer displacement-thickness-corrected diameter yields a collapse of the data onto a single curve that is independent of the Reynolds number. These scalings allow the specification of an analytical expression for the velocity profile of an impinging laminar jet over the Reynolds number range investigated of .

Evaluation of high-resolution sea ice models on the basis of statistical and scaling properties of Arctic sea ice drift and deformation

NASA Astrophysics Data System (ADS)

Girard, L.; Weiss, J.; Molines, J. M.; Barnier, B.; Bouillon, S.

2009-08-01

Sea ice drift and deformation from models are evaluated on the basis of statistical and scaling properties. These properties are derived from two observation data sets: the RADARSAT Geophysical Processor System (RGPS) and buoy trajectories from the International Arctic Buoy Program (IABP). Two simulations obtained with the Louvain-la-Neuve Ice Model (LIM) coupled to a high-resolution ocean model and a simulation obtained with the Los Alamos Sea Ice Model (CICE) were analyzed. Model ice drift compares well with observations in terms of large-scale velocity field and distributions of velocity fluctuations although a significant bias on the mean ice speed is noted. On the other hand, the statistical properties of ice deformation are not well simulated by the models: (1) The distributions of strain rates are incorrect: RGPS distributions of strain rates are power law tailed, i.e., exhibit "wild randomness," whereas models distributions remain in the Gaussian attraction basin, i.e., exhibit "mild randomness." (2) The models are unable to reproduce the spatial and temporal correlations of the deformation fields: In the observations, ice deformation follows spatial and temporal scaling laws that express the heterogeneity and the intermittency of deformation. These relations do not appear in simulated ice deformation. Mean deformation in models is almost scale independent. The statistical properties of ice deformation are a signature of the ice mechanical behavior. The present work therefore suggests that the mechanical framework currently used by models is inappropriate. A different modeling framework based on elastic interactions could improve the representation of the statistical and scaling properties of ice deformation.

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator.

PubMed

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation.

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator

PubMed Central

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation. PMID:28596730

The power spectrum of solar convection flows from high-resolution observations and 3D simulations

NASA Astrophysics Data System (ADS)

Yelles Chaouche, L.; Moreno-Insertis, F.; Bonet, J. A.

2014-03-01

Context. Understanding solar surface magnetoconvection requires the study of the Fourier spectra of the velocity fields. Nowadays, observations are available that resolve very small spatial scales, well into the subgranular range, almost reaching the scales routinely resolved in numerical magnetoconvection simulations. Comparison of numerical and observational data at present can provide an assessment of the validity of the observational proxies. Aims: Our aims are: (1) to obtain Fourier spectra for the photospheric velocity fields using the spectropolarimetric observations with the highest spatial resolution so far (~120 km), thus reaching for the first time spatial scales well into the subgranular range; (2) to calculate corresponding Fourier spectra from realistic 3D numerical simulations of magnetoconvection and carry out a proper comparison with their observational counterparts considering the residual instrumental degradation in the observational data; and (3) to test the observational proxies on the basis of the numerical data alone, by comparing the actual velocity field in the simulations with synthetic observations obtained from the numerical boxes. Methods: (a) For the observations, data from the SUNRISE/IMaX spectropolarimeter are used. (b) For the simulations, we use four series of runs obtained with the STAGGER code for different average signed vertical magnetic field values (0, 50, 100, and 200 G). Spectral line profiles are synthesized from the numerical boxes for the same line observed by IMaX (Fe I 5250.2 Å) and degraded to match the performance of the IMaX instrument. Proxies for the velocity field are obtained via Dopplergrams (vertical component) and local correlation tracking (LCT, for the horizontal component). Fourier power spectra are calculated and a comparison between the synthetic and observational data sets carried out. (c) For the internal comparison of the numerical data, velocity values on constant optical depth surfaces are used instead of on horizontal planes. Results: A very good match between observational and simulated Fourier power spectra is obtained for the vertical velocity data for scales between 200 km and 6 Mm. Instead, a clear vertical shift is obtained when the synthetic observations are not degraded to emulate the degradation in the IMaX data. The match for the horizontal velocity data is much less impressive because of the inaccuracies of the LCT procedure. Concerning the internal comparison of the direct velocity values of the numerical boxes with those from the synthetic observations, a high correlation (0.96) is obtained for the vertical component when using the velocity values on the log τ500 = -1 surface in the box. The corresponding Fourier spectra are near each other. A lower maximum correlation (0.5) is reached (at log τ500 = 0) for the horizontal velocities as a result of the coarseness of the LCT procedure. Correspondingly, the Fourier spectra for the LCT-determined velocities is well below that from the actual velocity components. Conclusions: As measured by the Fourier spectra, realistic numerical simulations of surface magnetoconvection provide a very good match to the observational proxies for the photospheric velocity fields at least on scales from several Mm down to around 200 km. Taking into account the spatial and spectral instrumental blurring is essential for the comparison between simulations and observations. Dopplergrams are an excellent proxy for the vertical velocities on constant-τ isosurfaces, while LCT is a much less reliable method of determining the horizontal velocities.

Numerical analysis of field-scale transport of bromacil

NASA Astrophysics Data System (ADS)

Russo, David; Tauber-Yasur, Inbar; Laufer, Asher; Yaron, Bruno

Field-scale transport of bromacil (5-bromo-3- sec-butyl-6-methyluracil) was analyzed using two different model processes for local description of the transport. The first was the classical, one-region convection dispersion equation (CDE) model while the second was the two-region, mobile-immobile (MIM) model. The analyses were performed by means of detailed three-dimensional, numerical simulations of the flow and the transport [Russo, D., Zaidel, J. and Laufer, A., Numerical analysis of flow and transport in a three-dimensional partially saturated heterogeneous soil. Water Resour. Res., 1998, in press], employing local soil hydraulic properties parameters from field measurements and local adsorption/desorption coefficients and the first-order degradation rate coefficient from laboratory measurements. Results of the analyses suggest that for a given flow regime, mass exchange between the mobile and the immobile regions retards the bromacil degradation, considerably affects the distribution of the bromacil resident concentration, c, at relatively large travel times, slightly affects the spatial moments of the distribution of c, and increases the skewing of the bromacil breakthrough and the uncertainty in its prediction, compared with the case in which the soil contained only a single (mobile) region. Mean and standard deviation of the simulated concentration profiles at various elapsed times were compared with measurements from a field-scale transport experiment [Tauber-Yasur, I., Hadas, A., Russo, D. and Yaron, B., Leaching of terbuthylazine and bromacil through field soils. Water, Air Soil Poln., 1998, in press] conducted at the Bet Dagan site. Given the limitations of the present study (e.g. the lack of detailed field data on the spatial variability of the soil chemical properties) the main conclusion of the present study is that the field-scale transport of bromacil at the Bet Dagan site is better quantified with the MIM model than the CDE model.

Two-step simulation of velocity and passive scalar mixing at high Schmidt number in turbulent jets

NASA Astrophysics Data System (ADS)

Rah, K. Jeff; Blanquart, Guillaume

2016-11-01

Simulation of passive scalar in the high Schmidt number turbulent mixing process requires higher computational cost than that of velocity fields, because the scalar is associated with smaller length scales than velocity. Thus, full simulation of both velocity and passive scalar with high Sc for a practical configuration is difficult to perform. In this work, a new approach to simulate velocity and passive scalar mixing at high Sc is suggested to reduce the computational cost. First, the velocity fields are resolved by Large Eddy Simulation (LES). Then, by extracting the velocity information from LES, the scalar inside a moving fluid blob is simulated by Direct Numerical Simulation (DNS). This two-step simulation method is applied to a turbulent jet and provides a new way to examine a scalar mixing process in a practical application with smaller computational cost. NSF, Samsung Scholarship.

Reconstructing the Initial Density Field of the Local Universe: Methods and Tests with Mock Catalogs

NASA Astrophysics Data System (ADS)

Wang, Huiyuan; Mo, H. J.; Yang, Xiaohu; van den Bosch, Frank C.

2013-07-01

Our research objective in this paper is to reconstruct an initial linear density field, which follows the multivariate Gaussian distribution with variances given by the linear power spectrum of the current cold dark matter model and evolves through gravitational instabilities to the present-day density field in the local universe. For this purpose, we develop a Hamiltonian Markov Chain Monte Carlo method to obtain the linear density field from a posterior probability function that consists of two components: a prior of a Gaussian density field with a given linear spectrum and a likelihood term that is given by the current density field. The present-day density field can be reconstructed from galaxy groups using the method developed in Wang et al. Using a realistic mock Sloan Digital Sky Survey DR7, obtained by populating dark matter halos in the Millennium simulation (MS) with galaxies, we show that our method can effectively and accurately recover both the amplitudes and phases of the initial, linear density field. To examine the accuracy of our method, we use N-body simulations to evolve these reconstructed initial conditions to the present day. The resimulated density field thus obtained accurately matches the original density field of the MS in the density range 0.3 \\lesssim \\rho /\\bar{\\rho } \\lesssim 20 without any significant bias. In particular, the Fourier phases of the resimulated density fields are tightly correlated with those of the original simulation down to a scale corresponding to a wavenumber of ~1 h Mpc-1, much smaller than the translinear scale, which corresponds to a wavenumber of ~0.15 h Mpc-1.

An efficient spectral method for the simulation of dynamos in Cartesian geometry and its implementation on massively parallel computers

NASA Astrophysics Data System (ADS)

Stellmach, Stephan; Hansen, Ulrich

2008-05-01

Numerical simulations of the process of convection and magnetic field generation in planetary cores still fail to reach geophysically realistic control parameter values. Future progress in this field depends crucially on efficient numerical algorithms which are able to take advantage of the newest generation of parallel computers. Desirable features of simulation algorithms include (1) spectral accuracy, (2) an operation count per time step that is small and roughly proportional to the number of grid points, (3) memory requirements that scale linear with resolution, (4) an implicit treatment of all linear terms including the Coriolis force, (5) the ability to treat all kinds of common boundary conditions, and (6) reasonable efficiency on massively parallel machines with tens of thousands of processors. So far, algorithms for fully self-consistent dynamo simulations in spherical shells do not achieve all these criteria simultaneously, resulting in strong restrictions on the possible resolutions. In this paper, we demonstrate that local dynamo models in which the process of convection and magnetic field generation is only simulated for a small part of a planetary core in Cartesian geometry can achieve the above goal. We propose an algorithm that fulfills the first five of the above criteria and demonstrate that a model implementation of our method on an IBM Blue Gene/L system scales impressively well for up to O(104) processors. This allows for numerical simulations at rather extreme parameter values.

Simulation of Relativistic Shocks and Associated Self-Consistent Radiation

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Niemiec, J.; Medvedev, M.; Zhang, B.; Hardee, P.; Mizuno, Y.; Nordlund, A.; Frederiksen, J.; Sol, H.; Pohl, M.;

Visualizing light with electrons

NASA Astrophysics Data System (ADS)

Fitzgerald, J. P. S.; Word, R. C.; Koenenkamp, R.

2014-03-01

In multiphoton photoemission electron microscopy (nP-PEEM) electrons are emitted from surfaces at a rate proportional to the surface electromagnetic field amplitude. We use 2P-PEEM to give nanometer scale visualizations of light of diffracted and waveguide fields around various microstructures. We use Fourier analysis to determine the phase and amplitude of surface fields in relation to incident light from the interference patterns. To provide quick and intuitive simulations of surface fields, we employ two dimensional Fresnel-Kirchhoff integration, a technique based on freely propagating waves and Huygens' principle. We find generally good agreement between simulations and experiment. Additionally diffracted wave simulations exhibit greater phase accuracy, indicating that these waves are well represented by a two dimensional approximation. The authors gratefully acknowledge funding of this research by the US-DOE Basic Science Office under Contract DE-FG02-10ER46406.

Solar Wind - Magnetosheath - Magnetopause Interactions in Global Hybrid-Vlasov Simulations

NASA Astrophysics Data System (ADS)

Hoilijoki, S.; Pfau-Kempf, Y.; Ganse, U.; Hietala, H.; Cassak, P.; Walsh, B.; Juusola, L.; Jarvinen, R.; von Alfthan, S.; Palmroth, M.

2017-12-01

We present results of interactions of solar wind and Earth's magnetosphere in global hybrid-Vlasov simulations carried out using the Vlasiator model. Vlasiator propagates ions as velocity distribution functions by solving the Vlasov equation and electrons are treated as charge-neutralizing massless fluid. Vlasiator simulations show a strong coupling between the ion scale and global scale physics. Global scale phenomena affect the local physics and the local phenomena impact the global system. Our results have shown that mirror mode waves growing in the quasi-perpendicular magnetosheath have an impact on the local reconnection rates at the dayside magnetopause. Furthermore, multiple X-line reconnection at the dayside magnetopause leads to the formation of magnetic islands (2D flux transfer events), which launch bow waves upstream propagating through the magnetosheath. These steep bow waves have the ability to accelerate ions in the magnetosheath. When the bow waves reach the bow shock they are able to bulge the shock locally. The bulge in the shock decreases the angle between the interplanetary magnetic field and the shock normal and allows ions to be reflected back to the solar wind along the magnetic field lines. Consequently, Vlasiator simulations show that magnetosheath fluctuations affect magnetopause reconnection and reconnection may influence particle acceleration and reflection in the magnetosheath and solar wind.

Disks around merging binary black holes: From GW150914 to supermassive black holes

NASA Astrophysics Data System (ADS)

Khan, Abid; Paschalidis, Vasileios; Ruiz, Milton; Shapiro, Stuart L.

2018-02-01

We perform magnetohydrodynamic simulations in full general relativity of disk accretion onto nonspinning black hole binaries with mass ratio q =29 /36 . We survey different disk models which differ in their scale height, total size and magnetic field to quantify the robustness of previous simulations on the initial disk model. Scaling our simulations to LIGO GW150914 we find that such systems could explain possible gravitational wave and electromagnetic counterparts such as the Fermi GBM hard x-ray signal reported 0.4 s after GW150915 ended. Scaling our simulations to supermassive binary black holes, we find that observable flow properties such as accretion rate periodicities, the emergence of jets throughout inspiral, merger and postmerger, disk temperatures, thermal frequencies, and the time delay between merger and the boost in jet outflows that we reported in earlier studies display only modest dependence on the initial disk model we consider here.

Scaling of counter-current imbibition recovery curves using artificial neural networks

NASA Astrophysics Data System (ADS)

Jafari, Iman; Masihi, Mohsen; Nasiri Zarandi, Masoud

2018-06-01

Scaling imbibition curves are of great importance in the characterization and simulation of oil production from naturally fractured reservoirs. Different parameters such as matrix porosity and permeability, oil and water viscosities, matrix dimensions, and oil/water interfacial tensions have an effective on the imbibition process. Studies on the scaling imbibition curves along with the consideration of different assumptions have resulted in various scaling equations. In this work, using an artificial neural network (ANN) method, a novel technique is presented for scaling imbibition recovery curves, which can be used for scaling the experimental and field-scale imbibition cases. The imbibition recovery curves for training and testing the neural network were gathered through the simulation of different scenarios using a commercial reservoir simulator. In this ANN-based method, six parameters were assumed to have an effect on the imbibition process and were considered as the inputs for training the network. Using the ‘Bayesian regularization’ training algorithm, the network was trained and tested. Training and testing phases showed superior results in comparison with the other scaling methods. It is concluded that using the new technique is useful for scaling imbibition recovery curves, especially for complex cases, for which the common scaling methods are not designed.

A comparison of three approaches for simulating fine-scale surface winds in support of wildland fire management. Part II. An exploratory study of the effect of simulated winds on fire growth simulations

Treesearch

Jason M. Forthofer; Bret W. Butler; Charles W. McHugh; Mark A. Finney; Larry S. Bradshaw; Richard D. Stratton; Kyle S. Shannon; Natalie S. Wagenbrenner

2014-01-01

The effect of fine-resolution wind simulations on fire growth simulations is explored. The wind models are (1) a wind field consisting of constant speed and direction applied everywhere over the area of interest; (2) a tool based on the solution of the conservation of mass only (termed mass-conserving model) and (3) a tool based on a solution of conservation of mass...

Field significance of performance measures in the context of regional climate model evaluation. Part 2: precipitation

NASA Astrophysics Data System (ADS)

Ivanov, Martin; Warrach-Sagi, Kirsten; Wulfmeyer, Volker

2018-04-01

A new approach for rigorous spatial analysis of the downscaling performance of regional climate model (RCM) simulations is introduced. It is based on a multiple comparison of the local tests at the grid cells and is also known as `field' or `global' significance. The block length for the local resampling tests is precisely determined to adequately account for the time series structure. New performance measures for estimating the added value of downscaled data relative to the large-scale forcing fields are developed. The methodology is exemplarily applied to a standard EURO-CORDEX hindcast simulation with the Weather Research and Forecasting (WRF) model coupled with the land surface model NOAH at 0.11 ∘ grid resolution. Daily precipitation climatology for the 1990-2009 period is analysed for Germany for winter and summer in comparison with high-resolution gridded observations from the German Weather Service. The field significance test controls the proportion of falsely rejected local tests in a meaningful way and is robust to spatial dependence. Hence, the spatial patterns of the statistically significant local tests are also meaningful. We interpret them from a process-oriented perspective. While the downscaled precipitation distributions are statistically indistinguishable from the observed ones in most regions in summer, the biases of some distribution characteristics are significant over large areas in winter. WRF-NOAH generates appropriate stationary fine-scale climate features in the daily precipitation field over regions of complex topography in both seasons and appropriate transient fine-scale features almost everywhere in summer. As the added value of global climate model (GCM)-driven simulations cannot be smaller than this perfect-boundary estimate, this work demonstrates in a rigorous manner the clear additional value of dynamical downscaling over global climate simulations. The evaluation methodology has a broad spectrum of applicability as it is distribution-free, robust to spatial dependence, and accounts for time series structure.

Stormwater pollution in suburban ecosystems: the role of residential rooftop connectivity

NASA Astrophysics Data System (ADS)

Miles, B.; Band, L. E.

2013-12-01

Stormwater pollution has been recognized as a major concern of urban sustainability. Understanding interactions between urban landcover and stormwater pollution can be advanced through the development of spatially explicit ecohydrology models that simulate fine-scale residential stormwater management; this requires high-resolution LIDAR and landcover data, as well as field observation at the household scale. The objective of my research is to improve understanding of how parcel-scale heterogeneity of impervious and previous surfaces effect stormwater volume. In support of this objective, I present results from work to: (1) perform field observation of existing patterns of residential rooftop connectivity to nearby impervious surfaces; (2) modify the Regional Hydro-Ecological Simulation System (RHESSys) to explicitly represent non-topographic surface flow routing of rooftops; and (3) develop RHESSys models for urban-suburban headwater watersheds in Baltimore, MD (as part of the Baltimore Ecosystem Study (BES) NSF Long-Term Ecological Research (LTER) site) and Durham, NC (as part of the NSF Urban Long-Term Research Area (ULTRA) program). I use these models to simulate stormwater volume resulting from both baseline residential rooftop impervious connectivity and for disconnection scenarios (e.g. roof drainage to lawn v. engineered rain garden, upslope v. riparian). This research will help to improve representation of fine-scale surface flow features in urban ecohydrology modeling while informing policy decisions over how best to implement parcel-scale retrofits in existing neighborhoods to reduce stormwater pollution at the watershed scale.

Interactive, graphical processing unitbased evaluation of evacuation scenarios at the state scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perumalla, Kalyan S; Aaby, Brandon G; Yoginath, Srikanth B

2011-01-01

In large-scale scenarios, transportation modeling and simulation is severely constrained by simulation time. For example, few real- time simulators scale to evacuation traffic scenarios at the level of an entire state, such as Louisiana (approximately 1 million links) or Florida (2.5 million links). New simulation approaches are needed to overcome severe computational demands of conventional (microscopic or mesoscopic) modeling techniques. Here, a new modeling and execution methodology is explored that holds the potential to provide a tradeoff among the level of behavioral detail, the scale of transportation network, and real-time execution capabilities. A novel, field-based modeling technique and its implementationmore » on graphical processing units are presented. Although additional research with input from domain experts is needed for refining and validating the models, the techniques reported here afford interactive experience at very large scales of multi-million road segments. Illustrative experiments on a few state-scale net- works are described based on an implementation of this approach in a software system called GARFIELD. Current modeling cap- abilities and implementation limitations are described, along with possible use cases and future research.« less

Workflow for Integrating Mesoscale Heterogeneities in Materials Structure with Process Simulation of Titanium Alloys (Postprint)

DTIC Science & Technology

2014-10-01

offer a practical solution to calculating the grain -scale hetero- geneity present in the deformation field. Consequently, crystal plasticity models...process/performance simulation codes (e.g., crystal plasticity finite element method). 15. SUBJECT TERMS ICME; microstructure informatics; higher...iii) protocols for direct and efficient linking of materials models/databases into process/performance simulation codes (e.g., crystal plasticity

Incorporating human-water dynamics in a hyper-resolution land surface model

NASA Astrophysics Data System (ADS)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in a hyper-resolution LSM this work allows for progress on hydrological monitoring and predictions, as well as drought preparedness and water impact assessments at relevant decision-making scales.

A Multiscale Nested Modeling Framework to Simulate the Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves

DTIC Science & Technology

2015-09-30

Meneveau, C., and L. Shen (2014), Large-eddy simulation of offshore wind farm , Physics of Fluids, 26, 025101. Zhang, Z., Fringer, O.B., and S.R...being centimeter scale, surface mixed layer processes arising from the combined actions of tides, winds and mesoscale currents. Issues related to...the internal wave field and how it impacts the surface waves. APPROACH We are focusing on the problem of modification of the wind -wave field

Morphologies of Primary Silicon in Hypereutectic Al-Si Alloys: Phase-Field Simulation Supported by Key Experiments

NASA Astrophysics Data System (ADS)

Wang, Kai; Wei, Ming; Zhang, Lijun; Du, Yong

2016-04-01

We realized a three-dimensional visualization of the morphology evolution and the growth behavior of the octahedral primary silicon in hypereutectic Al-20wtpctSi alloy during solidification in a real length scale by utilizing the phase-field simulation coupled with CALPHAD databases, and supported by key experiments. Moreover, through two-dimensional cut of the octahedral primary silicon at random angles, different morphologies observed in experiments, including triangle, square, trapezoid, rhombic, pentagon, and hexagon, were well reproduced.

A rank-based approach for correcting systematic biases in spatial disaggregation of coarse-scale climate simulations

NASA Astrophysics Data System (ADS)

Nahar, Jannatun; Johnson, Fiona; Sharma, Ashish

2017-07-01

Use of General Circulation Model (GCM) precipitation and evapotranspiration sequences for hydrologic modelling can result in unrealistic simulations due to the coarse scales at which GCMs operate and the systematic biases they contain. The Bias Correction Spatial Disaggregation (BCSD) method is a popular statistical downscaling and bias correction method developed to address this issue. The advantage of BCSD is its ability to reduce biases in the distribution of precipitation totals at the GCM scale and then introduce more realistic variability at finer scales than simpler spatial interpolation schemes. Although BCSD corrects biases at the GCM scale before disaggregation; at finer spatial scales biases are re-introduced by the assumptions made in the spatial disaggregation process. Our study focuses on this limitation of BCSD and proposes a rank-based approach that aims to reduce the spatial disaggregation bias especially for both low and high precipitation extremes. BCSD requires the specification of a multiplicative bias correction anomaly field that represents the ratio of the fine scale precipitation to the disaggregated precipitation. It is shown that there is significant temporal variation in the anomalies, which is masked when a mean anomaly field is used. This can be improved by modelling the anomalies in rank-space. Results from the application of the rank-BCSD procedure improve the match between the distributions of observed and downscaled precipitation at the fine scale compared to the original BCSD approach. Further improvements in the distribution are identified when a scaling correction to preserve mass in the disaggregation process is implemented. An assessment of the approach using a single GCM over Australia shows clear advantages especially in the simulation of particularly low and high downscaled precipitation amounts.

Structure formation by a fifth force: N-body versus linear simulations

NASA Astrophysics Data System (ADS)

Li, Baojiu; Zhao, Hongsheng

2009-08-01

We lay out the frameworks to numerically study the structure formation in both linear and nonlinear regimes in general dark-matter-coupled scalar field models, and give an explicit example where the scalar field serves as a dynamical dark energy. Adopting parameters of the scalar field which yield a realistic cosmic microwave background (CMB) spectrum, we generate the initial conditions for our N-body simulations, which follow the spatial distributions of the dark matter and the scalar field by solving their equations of motion using the multilevel adaptive grid technique. We show that the spatial configuration of the scalar field tracks well the voids and clusters of dark matter. Indeed, the propagation of scalar degree of freedom effectively acts as a fifth force on dark matter particles, whose range and magnitude are determined by the two model parameters (μ,γ), local dark matter density as well as the background value for the scalar field. The model behaves like the ΛCDM paradigm on scales relevant to the CMB spectrum, which are well beyond the probe of the local fifth force and thus not significantly affected by the matter-scalar coupling. On scales comparable or shorter than the range of the local fifth force, the fifth force is perfectly parallel to gravity and their strengths have a fixed ratio 2γ2 determined by the matter-scalar coupling, provided that the chameleon effect is weak; if on the other hand there is a strong chameleon effect (i.e., the scalar field almost resides at its effective potential minimum everywhere in the space), the fifth force indeed has suppressed effects in high density regions and shows no obvious correlation with gravity, which means that the dark-matter-scalar-field coupling is not simply equivalent to a rescaling of the gravitational constant or the mass of the dark matter particles. We show these spatial distributions and (lack of) correlations at typical redshifts (z=0,1,5.5) in our multigrid million-particle simulations. The viable parameters for the scalar field can be inferred on intermediate or small scales at late times from, e.g., weak lensing and phase space properties, while the predicted Hubble expansion and linearly simulated CMB spectrum are virtually indistinguishable from the standard ΛCDM predictions.

Assessing and mapping spatial associations among oral cancer mortality rates, concentrations of heavy metals in soil, and land use types based on multiple scale data.

PubMed

Lin, Wei-Chih; Lin, Yu-Pin; Wang, Yung-Chieh; Chang, Tsun-Kuo; Chiang, Li-Chi

2014-02-21

In this study, a deconvolution procedure was used to create a variogram of oral cancer (OC) rates. Based on the variogram, area-to-point (ATP) Poisson kriging and p-field simulation were used to downscale and simulate, respectively, the OC rate data for Taiwan from the district scale to a 1 km × 1 km grid scale. Local cluster analysis (LCA) of OC mortality rates was then performed to identify OC mortality rate hot spots based on the downscaled and the p-field-simulated OC mortality maps. The relationship between OC mortality and land use was studied by overlapping the maps of the downscaled OC mortality, the LCA results, and the land uses. One thousand simulations were performed to quantify local and spatial uncertainties in the LCA to identify OC mortality hot spots. The scatter plots and Spearman's rank correlation yielded the relationship between OC mortality and concentrations of the seven metals in the 1 km cell grid. The correlation analysis results for the 1 km scale revealed a weak correlation between OC mortality rate and concentrations of the seven studied heavy metals in soil. Accordingly, the heavy metal concentrations in soil are not major determinants of OC mortality rates at the 1 km scale at which soils were sampled. The LCA statistical results for local indicator of spatial association (LISA) revealed that the sites with high probability of high-high (high value surrounded by high values) OC mortality at the 1 km grid scale were clustered in southern, eastern, and mid-western Taiwan. The number of such sites was also significantly higher on agricultural land and in urban regions than on land with other uses. The proposed approach can be used to downscale and evaluate uncertainty in mortality data from a coarse scale to a fine scale at which useful additional information can be obtained for assessing and managing land use and risk.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE PAGES

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.; ...

2016-09-18

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

Prediction of pest pressure on corn root nodes: the POPP-Corn model.

PubMed

Agatz, Annika; Ashauer, Roman; Sweeney, Paul; Brown, Colin D

2017-01-01

A model for the corn rootworm Diabrotica spp. combined with a temporally explicit model for development of corn roots across the soil profile was developed to link pest ecology, root damage and yield loss. Development of the model focused on simulating root damage from rootworm feeding in accordance with observations in the field to allow the virtual testing of efficacy from management interventions in the future. We present the model and demonstrate its applicability for simulating root damage by comparison between observed and simulated pest development and root damage (assessed according to the node injury scale from 0 to 3) for field studies from the literature conducted in Urbana, Illinois (US), between 1991 and 2014. The model simulated the first appearance of larvae and adults to within a week of that observed in 88 and 71 % of all years, respectively, and in all cases to within 2 weeks of the first sightings recorded for central Illinois. Furthermore, in 73 % of all years simulated root damage differed by <0.5 node injury scale points compared to the observations made in the field between 2005 and 2014 even though accurate information for initial pest pressure (i.e. number of eggs in the soil) was not measured at the sites or available from nearby locations. This is, to our knowledge, the first time that pest ecology, root damage and yield loss have been successfully interlinked to produce a virtual field. There are potential applications in investigating efficacy of different pest control measures and strategies.

Application of a pore-scale reactive transport model to a natural analog for reaction-induced pore alterations

DOE PAGES

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas; ...

2017-01-05

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

Evaluating the Performance of the Goddard Multi-Scale Modeling Framework against GPM, TRMM and CloudSat/CALIPSO Products

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.; Lang, S. E.; Matsui, T.; Mohr, K. I.

2014-12-01

Four six-month (March-August 2014) experiments with the Goddard Multi-scale Modeling Framework (MMF) were performed to study the impacts of different Goddard one-moment bulk microphysical schemes and large-scale forcings on the performance of the MMF. Recently a new Goddard one-moment bulk microphysics with four-ice classes (cloud ice, snow, graupel, and frozen drops/hail) has been developed based on cloud-resolving model simulations with large-scale forcings from field campaign observations. The new scheme has been successfully implemented to the MMF and two MMF experiments were carried out with this new scheme and the old three-ice classes (cloud ice, snow graupel) scheme. The MMF has global coverage and can rigorously evaluate microphysics performance for different cloud regimes. The results show MMF with the new scheme outperformed the old one. The MMF simulations are also strongly affected by the interaction between large-scale and cloud-scale processes. Two MMF sensitivity experiments with and without nudging large-scale forcings to those of ERA-Interim reanalysis were carried out to study the impacts of large-scale forcings. The model simulated mean and variability of surface precipitation, cloud types, cloud properties such as cloud amount, hydrometeors vertical profiles, and cloud water contents, etc. in different geographic locations and climate regimes are evaluated against GPM, TRMM, CloudSat/CALIPSO satellite observations. The Goddard MMF has also been coupled with the Goddard Satellite Data Simulation Unit (G-SDSU), a system with multi-satellite, multi-sensor, and multi-spectrum satellite simulators. The statistics of MMF simulated radiances and backscattering can be directly compared with satellite observations to assess the strengths and/or deficiencies of MMF simulations and provide guidance on how to improve the MMF and microphysics.

Comparing Noah-MP simulations of energy and water fluxes in the soil-vegetation-atmosphere continuum with plot scale measurements

NASA Astrophysics Data System (ADS)

Gayler, Sebastian; Wöhling, Thomas; Högy, Petra; Ingwersen, Joachim; Wizemann, Hans-Dieter; Wulfmeyer, Volker; Streck, Thilo

2013-04-01

During the last years, land-surface models have proven to perform well in several studies that compared simulated fluxes of water and energy from the land surface to the atmosphere against measured fluxes at the plot-scale. In contrast, considerable deficits of land-surface models have been identified to simulate soil water fluxes and vertical soil moisture distribution. For example, Gayler et al. (2013) showed that simplifications in the representation of root water uptake can result in insufficient simulations of the vertical distribution of soil moisture and its dynamics. However, in coupled simulations of the terrestrial water cycle, both sub-systems, the atmosphere and the subsurface hydrogeo-system, must fit together and models are needed, which are able to adequately simulate soil moisture, latent heat flux, and their interrelationship. Consequently, land-surface models must be further improved, e.g. by incorporation of advanced biogeophysics models. To improve the conceptual realism in biophysical and hydrological processes in the community land surface model Noah, this model was recently enhanced to Noah-MP by a multi-options framework to parameterize individual processes (Niu et al., 2011). Thus, in Noah-MP the user can choose from several alternative models for vegetation and hydrology processes that can be applied in different combinations. In this study, we evaluate the performance of different Noah-MP model settings to simulate water and energy fluxes across the land surface at two contrasting field sites in South-West Germany. The evaluation is done in 1D offline-mode, i.e. without coupling to an atmospheric model. The atmospheric forcing is provided by measured time series of the relevant variables. Simulation results are compared with eddy covariance measurements of turbulent fluxes and measured time series of soil moisture at different depths. The aims of the study are i) to carve out the most appropriate combination of process parameterizations in Noah-MP to simultaneously match the different components of the water and energy cycle at the field sites under consideration, and ii) to estimate the uncertainty in model structure. We further investigate the potential to improve simulation results by incorporating concepts of more advanced root water uptake models from agricultural field scale models into the land-surface-scheme. Gayler S, Ingwersen J, Priesack E, Wöhling T, Wulfmeyer V, Streck T (2013): Assessing the relevance of sub surface processes for the simulation of evapotranspiration and soil moisture dynamics with CLM3.5: Comparison with field data and crop model simulations. Environ. Earth Sci., 69(2), under revision. Niu G-Y, Yang Z-L, Mitchell KE, Chen F, Ek MB, Barlage M, Kumar A, Manning K, Niyogi D, Rosero E, Tewari M and Xia Y (2011): The community Noah land surface model with multiparameterization options (Noah-MP): 1. Model description and evaluation with local-scale measurements. Journal of Geophysical Research 116(D12109).

Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.

PubMed

Frembgen-Kesner, Tamara; Andrews, Casey T; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A; Jain, Aakash; Olayiwola, Oluwatoni J; Weishaar, Mitch R; Elcock, Adrian H

2015-05-12

Recently, we reported the parametrization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral, and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral, and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downward in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multidomain proteins connected by flexible linkers.

Simulation of the Transport and Dispersion of Perfluorocarbon Tracers Released in Texas Using multiple Assimilated Meteorological Wind Fields

NASA Astrophysics Data System (ADS)

Schichtel, B.; Barna, M.; Gebhart, K.; Green, M.

2002-12-01

The Big Bend Regional Aerosol and Visibility Observational Study (BRAVO) was designed to determine the causes of visibility impairment at Big Bend National Park, located in southwestern Texas. As part of BRAVO, an intensive field study was conducted during July-October 1999. Among the features of this study was the release of unique perfluorocarbon tracers from four sites within Texas, representative of industrial/urban locations. These tracers were monitored at 21 sites, throughout Texas. Other measurements collected during the field study included upper-level winds using radar profilers, and speciated fine-particulate mass concentrations. MM5 was used to simulate the regional meteorology during BRAVO, and was run in non-hydrostatic mode using a continental-scale 36km domain with nested 12km and 4km domains. MM5 employed observational nudging by incorporating the available measured wind data from the National Weather Service and data from the radar wind profilers. Meteorological data from the National Weather Service's Eta Data Assimilation System (EDAS), archived at 80km grid spacing, were also available. Several models are being used to evaluate airmass transport to Big Bend, including CMAQ, REMSAD, HYSPLIT and the CAPITA Monte Carlo Model. This combination of tracer data, meteorological data and deployment of four models provides a unique opportunity to assess the ability of the model/wind field combinations to properly simulate the regional scale atmospheric transport and dispersion of trace gases over distances of 100 to 800km. This paper will present the tracer simulations from REMSAD using the 36 and 12 km MM5 wind fields, and results from HYSPLIT and the Monte Carlo model driven by the 36km MM5 and 80km EDAS wind fields. Preliminary results from HYSPLIT and the Monte Carlo model driven by the EDAS wind fields shows that these models are able to account for the primary features of tracer concentrations patterns in the Big Bend area. However, at times the simulated concentration peaks proceeded or followed the actual measured concentrations by about at day and the duration of the simulated tracer impacts were shorter than those measured in the Big Bend area.

End-monomer Dynamics in Semiflexible Polymers

PubMed Central

Hinczewski, Michael; Schlagberger, Xaver; Rubinstein, Michael; Krichevsky, Oleg; Netz, Roland R.

2009-01-01

Spurred by an experimental controversy in the literature, we investigate the end-monomer dynamics of semiflexible polymers through Brownian hydrodynamic simulations and dynamic mean-field theory. Precise experimental observations over the last few years of end-monomer dynamics in the diffusion of double-stranded DNA have given conflicting results: one study indicated an unexpected Rouse-like scaling of the mean squared displacement (MSD) 〈r2(t)〉 ~ t1/2 at intermediate times, corresponding to fluctuations at length scales larger than the persistence length but smaller than the coil size; another study claimed the more conventional Zimm scaling 〈r2(t)〉 ~ t2/3 in the same time range. Using hydrodynamic simulations, analytical and scaling theories, we find a novel intermediate dynamical regime where the effective local exponent of the end-monomer MSD, α(t) = d log〈r2(t)〉/d log t, drops below the Zimm value of 2/3 for sufficiently long chains. The deviation from the Zimm prediction increases with chain length, though it does not reach the Rouse limit of 1/2. The qualitative features of this intermediate regime, found in simulations and in an improved mean-field theory for semiflexible polymers, in particular the variation of α(t) with chain and persistence lengths, can be reproduced through a heuristic scaling argument. Anomalously low values of the effective exponent α are explained by hydrodynamic effects related to the slow crossover from dynamics on length scales smaller than the persistence length to dynamics on larger length scales. PMID:21359118

Determining erosion relevant soil characteristics with a small-scale rainfall simulator

NASA Astrophysics Data System (ADS)

Schindewolf, M.; Schmidt, J.

2009-04-01

The use of soil erosion models is of great importance in soil and water conservation. Routine application of these models on the regional scale is not at least limited by the high parameter demands. Although the EROSION 3D simulation model is operating with a comparable low number of parameters, some of the model input variables could only be determined by rainfall simulation experiments. The existing data base of EROSION 3D was created in the mid 90s based on large-scale rainfall simulation experiments on 22x2m sized experimental plots. Up to now this data base does not cover all soil and field conditions adequately. Therefore a new campaign of experiments would be essential to produce additional information especially with respect to the effects of new soil management practices (e.g. long time conservation tillage, non tillage). The rainfall simulator used in the actual campaign consists of 30 identic modules, which are equipped with oscillating rainfall nozzles. Veejet 80/100 (Spraying Systems Co., Wheaton, IL) are used in order to ensure best possible comparability to natural rainfalls with respect to raindrop size distribution and momentum transfer. Central objectives of the small-scale rainfall simulator are - effectively application - provision of comparable results to large-scale rainfall simulation experiments. A crucial problem in using the small scale simulator is the restriction on rather small volume rates of surface runoff. Under this conditions soil detachment is governed by raindrop impact. Thus impact of surface runoff on particle detachment cannot be reproduced adequately by a small-scale rainfall simulator With this problem in mind this paper presents an enhanced small-scale simulator which allows a virtual multiplication of the plot length by feeding additional sediment loaded water to the plot from upstream. Thus is possible to overcome the plot length limited to 3m while reproducing nearly similar flow conditions as in rainfall experiments on standard plots. The simulator is extensively applied to plots of different soil types, crop types and management systems. The comparison with existing data sets obtained by large-scale rainfall simulations show that results can adequately be reproduced by the applied combination of small-scale rainfall simulator and sediment loaded water influx.

Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion

DOE PAGES

Chaudhari, Mangesh I.; Nair, Jijeesh R.; Pratt, Lawrence R.; ...

2016-10-21

Lithium-ion solvation and diffusion properties in ethylene carbonate (EC) and propylene carbonate (PC) were studied by molecular simulation, experiments, and electronic structure calculations. Studies carried out in water provide a reference for interpretation. Classical molecular dynamics simulation results are compared to ab initio molecular dynamics to assess nonpolarizable force field parameters for solvation structure of the carbonate solvents. Quasi-chemical theory (QCT) was adapted to take advantage of fourfold occupancy of the near-neighbor solvation structure observed in simulations and used to calculate solvation free energies. The computed free energy for transfer of Li + to PC from water, based on electronicmore » structure calculations with cluster-QCT, agrees with the experimental value. The simulation-based direct-QCT results with scaled partial charges agree with the electronic structure-based QCT values. The computed Li +/PF 6 - transference numbers of 0.35/0.65 (EC) and 0.31/0.69 (PC) agree well with NMR experimental values of 0.31/0.69 (EC) and 0.34/0.66 (PC) and similar values obtained here with impedance spectroscopy. These combined results demonstrate that solvent partial charges can be scaled in systems dominated by strong electrostatic interactions to achieve trends in ion solvation and transport properties that are comparable to ab initio and experimental results. Thus, the results support the use of scaled partial charges in simple, nonpolarizable force fields in future studies of these electrolyte solutions.« less

Numerically modelling the large scale coronal magnetic field

NASA Astrophysics Data System (ADS)

Panja, Mayukh; Nandi, Dibyendu

2016-07-01

The solar corona spews out vast amounts of magnetized plasma into the heliosphere which has a direct impact on the Earth's magnetosphere. Thus it is important that we develop an understanding of the dynamics of the solar corona. With our present technology it has not been possible to generate 3D magnetic maps of the solar corona; this warrants the use of numerical simulations to study the coronal magnetic field. A very popular method of doing this, is to extrapolate the photospheric magnetic field using NLFF or PFSS codes. However the extrapolations at different time intervals are completely independent of each other and do not capture the temporal evolution of magnetic fields. On the other hand full MHD simulations of the global coronal field, apart from being computationally very expensive would be physically less transparent, owing to the large number of free parameters that are typically used in such codes. This brings us to the Magneto-frictional model which is relatively simpler and computationally more economic. We have developed a Magnetofrictional Model, in 3D spherical polar co-ordinates to study the large scale global coronal field. Here we present studies of changing connectivities between active regions, in response to photospheric motions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kitiashvili, I. N.; Mansour, N. N.; Wray, A. A.

Magnetic fields are usually observed in the quiet Sun as small-scale elements that cover the entire solar surface (the “salt-and-pepper” patterns in line-of-sight magnetograms). By using 3D radiative MHD numerical simulations, we find that these fields result from a local dynamo action in the top layers of the convection zone, where extremely weak “seed” magnetic fields (e.g., from a 10{sup −6} G) can locally grow above the mean equipartition field to a stronger than 2000 G field localized in magnetic structures. Our results reveal that the magnetic flux is predominantly generated in regions of small-scale helical downflows. We find thatmore » the local dynamo action takes place mostly in a shallow, about 500 km deep, subsurface layer, from which the generated field is transported into the deeper layers by convective downdrafts. We demonstrate that the observed dominance of vertical magnetic fields at the photosphere and horizontal fields above the photosphere can be explained by small-scale magnetic loops produced by the dynamo. Such small-scale loops play an important role in the structure and dynamics of the solar atmosphere and their detection in observations is critical for understanding the local dynamo action on the Sun.« less

Random number generators for large-scale parallel Monte Carlo simulations on FPGA

NASA Astrophysics Data System (ADS)

Lin, Y.; Wang, F.; Liu, B.

2018-05-01

Through parallelization, field programmable gate array (FPGA) can achieve unprecedented speeds in large-scale parallel Monte Carlo (LPMC) simulations. FPGA presents both new constraints and new opportunities for the implementations of random number generators (RNGs), which are key elements of any Monte Carlo (MC) simulation system. Using empirical and application based tests, this study evaluates all of the four RNGs used in previous FPGA based MC studies and newly proposed FPGA implementations for two well-known high-quality RNGs that are suitable for LPMC studies on FPGA. One of the newly proposed FPGA implementations: a parallel version of additive lagged Fibonacci generator (Parallel ALFG) is found to be the best among the evaluated RNGs in fulfilling the needs of LPMC simulations on FPGA.

Simulations of extragalactic magnetic fields and of their observables

NASA Astrophysics Data System (ADS)

Vazza, F.; Brüggen, M.; Gheller, C.; Hackstein, S.; Wittor, D.; Hinz, P. M.

2017-12-01

The origin of extragalactic magnetic fields is still poorly understood. Based on a dedicated suite of cosmological magneto-hydrodynamical simulations with the ENZO code we have performed a survey of different models that may have caused present-day magnetic fields in galaxies and galaxy clusters. The outcomes of these models differ in cluster outskirts, filaments, sheets and voids and we use these simulations to find observational signatures of magnetogenesis. With these simulations, we predict the signal of extragalactic magnetic fields in radio observations of synchrotron emission from the cosmic web, in Faraday rotation, in the propagation of ultra high energy cosmic rays, in the polarized signal from fast radio bursts at cosmological distance and in spectra of distant blazars. In general, primordial scenarios in which present-day magnetic fields originate from the amplification of weak (⩽nG ) uniform seed fields result in more homogeneous and relatively easier to observe magnetic fields than astrophysical scenarios, in which present-day fields are the product of feedback processes triggered by stars and active galaxies. In the near future the best evidence for the origin of cosmic magnetic fields will most likely come from a combination of synchrotron emission and Faraday rotation observed at the periphery of large-scale structures.

Numerical simulation of the geodynamo reaches Earth's core dynamical regime

NASA Astrophysics Data System (ADS)

Aubert, J.; Gastine, T.; Fournier, A.

2016-12-01

Numerical simulations of the geodynamo have been successful at reproducing a number of static (field morphology) and kinematic (secular variation patterns, core surface flows and westward drift) features of Earth's magnetic field, making them a tool of choice for the analysis and retrieval of geophysical information on Earth's core. However, classical numerical models have been run in a parameter regime far from that of the real system, prompting the question of whether we do get "the right answers for the wrong reasons", i.e. whether the agreement between models and nature simply occurs by chance and without physical relevance in the dynamics. In this presentation, we show that classical models succeed in describing the geodynamo because their large-scale spatial structure is essentially invariant as one progresses along a well-chosen path in parameter space to Earth's core conditions. This path is constrained by the need to enforce the relevant force balance (MAC or Magneto-Archimedes-Coriolis) and preserve the ratio of the convective overturn and magnetic diffusion times. Numerical simulations performed along this path are shown to be spatially invariant at scales larger than that where the magnetic energy is ohmically dissipated. This property enables the definition of large-eddy simulations that show good agreement with direct numerical simulations in the range where both are feasible, and that can be computed at unprecedented values of the control parameters, such as an Ekman number E=10-8. Combining direct and large-eddy simulations, large-scale invariance is observed over half the logarithmic distance in parameter space between classical models and Earth. The conditions reached at this mid-point of the path are furthermore shown to be representative of the rapidly-rotating, asymptotic dynamical regime in which Earth's core resides, with a MAC force balance undisturbed by viscosity or inertia, the enforcement of a Taylor state and strong-field dynamo action. We conclude that numerical modelling has advanced to a stage where it is possible to use models correctly representing the statics, kinematics and now the dynamics of the geodynamo. This opens the way to a better analysis of the geomagnetic field in the time and space domains.

Tracking of large-scale structures in turbulent channel with direct numerical simulation of low Prandtl number passive scalar

NASA Astrophysics Data System (ADS)

Tiselj, Iztok

2014-12-01

Channel flow DNS (Direct Numerical Simulation) at friction Reynolds number 180 and with passive scalars of Prandtl numbers 1 and 0.01 was performed in various computational domains. The "normal" size domain was ˜2300 wall units long and ˜750 wall units wide; size taken from the similar DNS of Moser et al. The "large" computational domain, which is supposed to be sufficient to describe the largest structures of the turbulent flows was 3 times longer and 3 times wider than the "normal" domain. The "very large" domain was 6 times longer and 6 times wider than the "normal" domain. All simulations were performed with the same spatial and temporal resolution. Comparison of the standard and large computational domains shows the velocity field statistics (mean velocity, root-mean-square (RMS) fluctuations, and turbulent Reynolds stresses) that are within 1%-2%. Similar agreement is observed for Pr = 1 temperature fields and can be observed also for the mean temperature profiles at Pr = 0.01. These differences can be attributed to the statistical uncertainties of the DNS. However, second-order moments, i.e., RMS temperature fluctuations of standard and large computational domains at Pr = 0.01 show significant differences of up to 20%. Stronger temperature fluctuations in the "large" and "very large" domains confirm the existence of the large-scale structures. Their influence is more or less invisible in the main velocity field statistics or in the statistics of the temperature fields at Prandtl numbers around 1. However, these structures play visible role in the temperature fluctuations at low Prandtl number, where high temperature diffusivity effectively smears the small-scale structures in the thermal field and enhances the relative contribution of large-scales. These large thermal structures represent some kind of an echo of the large scale velocity structures: the highest temperature-velocity correlations are not observed between the instantaneous temperatures and instantaneous streamwise velocities, but between the instantaneous temperatures and velocities averaged over certain time interval.

An Integrated Experimental-Modelling Procedure Applied to the Design of a Field Scale Goethite Nanoparticle Injection for the Remediation of Contaminated Sites

NASA Astrophysics Data System (ADS)

Bianco, C.; Tosco, T.; Sethi, R.

2017-12-01

Nanoremediation is a promising in-situ technology for the reclamation of contaminated aquifers. It consists in the subsurface injection of a reactive colloidal suspension for the in-situ treatment of pollutants. The overall success of this technology at the field scale is strictly related to the achievement of an effective and efficient emplacement of the nanoparticles (NP) inside the contaminated area. Mathematical models can be used to support the design of nanotechnology-based remediation by effectively assessing the expected NP mobility at the field scale. Several analytical and numerical tools have been developed in recent years to model the transport of NPs in simplified geometry and boundary conditions. The numerical tool MNMs was developed by the authors of this work to simulate colloidal transport in 1D Cartesian and radial coordinates. A new modelling tool, MNM3D (Micro and Nanoparticle transport Model in 3D geometries), was also proposed for the simulation of injection and transport of NP suspensions in generic complex scenarios. MNM3D accounts for the simultaneous dependency of NP transport on water ionic strength and velocity. The software was developed to predict the NP mobility at different stages of a nanoremediation application, from the design stage to the prediction of the long-term fate after injection. In this work an integrated experimental-modelling procedure is applied to support the design of a field scale injection of goethite NPs carried out in the framework of the H2020 European project Reground. Column tests are performed at different injection flowrates using natural sand collected at the contaminated site as porous medium. The tests are interpreted using MNMs to characterize the NP mobility and derive the constitutive equations describing the suspension behavior in the natural porous medium. MNM3D is then used to predict NP behavior during the field scale injection and to assess the long-term mobility of the injected slurry. Finally, different injection scenarios were simulated to get a reliable estimation of several operating parameters, e.g. particle distribution around the injection well, radius of influence, number of required wells.

Two-Scale Ion Meandering Caused by the Polarization Electric Field During Asymmetric Reconnection

NASA Technical Reports Server (NTRS)

Wang, Shan; Chen, Li-Jen; Hesse, Michael; Bessho, Naoki; Gershman, Daniel J.; Dorelli, John; Giles, Barbara L.; Torbert, Roy B.; Pollock, Craig J.; Strangeway, Robert;

Two-scale ion meandering caused by the polarization electric field during asymmetric reconnection

NASA Astrophysics Data System (ADS)

Wang, Shan; Chen, Li-Jen; Hesse, Michael; Bessho, Naoki; Gershman, Daniel J.; Dorelli, John; Giles, Barbara; Torbert, Roy B.; Pollock, Craig J.; Strangeway, Robert; Ergun, Robert E.; Burch, James L.; Avanov, Levon; Lavraud, Benoit; Moore, Thomas E.; Saito, Yoshifumi

2016-08-01

Ion velocity distribution functions (VDFs) from a particle-in-cell simulation of asymmetric reconnection are investigated to reveal a two-scale structure of the ion diffusion region (IDR). Ions bouncing in the inner IDR are trapped mainly by the electric field normal to the current sheet (N direction), while those reaching the outer IDR are turned back mainly by the magnetic force. The resulting inner layer VDFs have counter-streaming populations along N with decreasing counter-streaming speeds away from the midplane while maintaining the out-of-plane speed, and the outer layer VDFs exhibit crescent shapes toward the out-of-plane direction. Observations of the above VDF features and the normal electric fields provide evidence for the two-scale meandering motion.

Flow topologies and turbulence scales in a jet-in-cross-flow

DOE PAGES

Oefelein, Joseph C.; Ruiz, Anthony M.; Lacaze, Guilhem

2015-04-03

This study presents a detailed analysis of the flow topologies and turbulence scales in the jet-in-cross-flow experiment of [Su and Mungal JFM 2004]. The analysis is performed using the Large Eddy Simulation (LES) technique with a highly resolved grid and time-step and well controlled boundary conditions. This enables quantitative agreement with the first and second moments of turbulence statistics measured in the experiment. LES is used to perform the analysis since experimental measurements of time-resolved 3D fields are still in their infancy and because sampling periods are generally limited with direct numerical simulation. A major focal point is the comprehensivemore » characterization of the turbulence scales and their evolution. Time-resolved probes are used with long sampling periods to obtain maps of the integral scales, Taylor microscales, and turbulent kinetic energy spectra. Scalar-fluctuation scales are also quantified. In the near-field, coherent structures are clearly identified, both in physical and spectral space. Along the jet centerline, turbulence scales grow according to a classical one-third power law. However, the derived maps of turbulence scales reveal strong inhomogeneities in the flow. From the modeling perspective, these insights are useful to design optimized grids and improve numerical predictions in similar configurations.« less

MAGNETOROTATIONAL TURBULENCE TRANSPORTS ANGULAR MOMENTUM IN STRATIFIED DISKS WITH LOW MAGNETIC PRANDTL NUMBER BUT MAGNETIC REYNOLDS NUMBER ABOVE A CRITICAL VALUE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oishi, Jeffrey S.; Mac Low, Mordecai-Mark, E-mail: jsoishi@stanford.edu, E-mail: mordecai@amnh.org

2011-10-10

The magnetorotational instability (MRI) may dominate outward transport of angular momentum in accretion disks, allowing material to fall onto the central object. Previous work has established that the MRI can drive a mean-field dynamo, possibly leading to a self-sustaining accretion system. Recently, however, simulations of the scaling of the angular momentum transport parameter {alpha}{sub SS} with the magnetic Prandtl number Pm have cast doubt on the ability of the MRI to transport astrophysically relevant amounts of angular momentum in real disk systems. Here, we use simulations including explicit physical viscosity and resistivity to show that when vertical stratification is included,more » mean-field dynamo action operates, driving the system to a configuration in which the magnetic field is not fully helical. This relaxes the constraints on the generated field provided by magnetic helicity conservation, allowing the generation of a mean field on timescales independent of the resistivity. Our models demonstrate the existence of a critical magnetic Reynolds number Rm{sub crit}, below which transport becomes strongly Pm-dependent and chaotic, but above which the transport is steady and Pm-independent. Prior simulations showing Pm dependence had Rm < Rm{sub crit}. We conjecture that this steady regime is possible because the mean-field dynamo is not helicity-limited and thus does not depend on the details of the helicity ejection process. Scaling to realistic astrophysical parameters suggests that disks around both protostars and stellar mass black holes have Rm >> Rm{sub crit}. Thus, we suggest that the strong Pm dependence seen in recent simulations does not occur in real systems.« less

Magnetorotational Turbulence Transports Angular Momentum in Stratified Disks with Low Magnetic Prandtl Number but Magnetic Reynolds Number above a Critical Value

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oishi, Jeffrey S.; /KIPAC, Menlo Park; Low, Mordecai-Mark Mac

2012-02-14

The magnetorotational instability (MRI) may dominate outward transport of angular momentum in accretion disks, allowing material to fall onto the central object. Previous work has established that the MRI can drive a mean-field dynamo, possibly leading to a self-sustaining accretion system. Recently, however, simulations of the scaling of the angular momentum transport parameter {alpha}{sub SS} with the magnetic Prandtl number Pm have cast doubt on the ability of the MRI to transport astrophysically relevant amounts of angular momentum in real disk systems. Here, we use simulations including explicit physical viscosity and resistivity to show that when vertical stratification is included,more » mean field dynamo action operates, driving the system to a configuration in which the magnetic field is not fully helical. This relaxes the constraints on the generated field provided by magnetic helicity conservation, allowing the generation of a mean field on timescales independent of the resistivity. Our models demonstrate the existence of a critical magnetic Reynolds number Rm{sub crit}, below which transport becomes strongly Pm-dependent and chaotic, but above which the transport is steady and Pm-independent. Prior simulations showing Pm-dependence had Rm < Rm{sub crit}. We conjecture that this steady regime is possible because the mean field dynamo is not helicity-limited and thus does not depend on the details of the helicity ejection process. Scaling to realistic astrophysical parameters suggests that disks around both protostars and stellar mass black holes have Rm >> Rm{sub crit}. Thus, we suggest that the strong Pm dependence seen in recent simulations does not occur in real systems.« less

Field-scale Prediction of Enhanced DNAPL Dissolution Using Partitioning Tracers and Flow Pattern Effects

NASA Astrophysics Data System (ADS)

Wang, F.; Annable, M. D.; Jawitz, J. W.

2012-12-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a PCE-contaminated dry cleaner site, located in Jacksonville, Florida. The EST is an analytical solution with field-measurable input parameters. Here, measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ alcohol (ethanol) flood. In addition, a simulated partitioning tracer test from a calibrated spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The ethanol prediction based on both the field partitioning tracer test and the UTCHEM tracer test simulation closely matched the field data. The PCE EST prediction showed a peak shift to an earlier arrival time that was concluded to be caused by well screen interval differences between the field tracer test and alcohol flood. This observation was based on a modeling assessment of potential factors that may influence predictions by using UTCHEM simulations. The imposed injection and pumping flow pattern at this site for both the partitioning tracer test and alcohol flood was more complex than the natural gradient flow pattern (NGFP). Both the EST model and UTCHEM were also used to predict PCE dissolution under natural gradient conditions, with much simpler flow patterns than the forced-gradient double five spot of the alcohol flood. The NGFP predictions based on parameters determined from tracer tests conducted with complex flow patterns underestimated PCE concentrations and total mass removal. This suggests that the flow patterns influence aqueous dissolution and that the aqueous dissolution under the NGFP is more efficient than dissolution under complex flow patterns.

Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

PubMed

Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

2009-03-01

We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Facilitating dynamo action via control of large-scale turbulence.

PubMed

Limone, A; Hatch, D R; Forest, C B; Jenko, F

2012-12-01

The magnetohydrodynamic dynamo effect is considered to be the major cause of magnetic field generation in geo- and astrophysical systems. Recent experimental and numerical results show that turbulence constitutes an obstacle to dynamos; yet its role in this context is not totally clear. Via numerical simulations, we identify large-scale turbulent vortices with a detrimental effect on the amplification of the magnetic field in a geometry of experimental interest and propose a strategy for facilitating the dynamo instability by manipulating these detrimental "hidden" dynamics.

Simulating crop phenology in the Community Land Model and its impact on energy and carbon fluxes

USDA-ARS?s Scientific Manuscript database

A reasonable representation of crop phenology and biophysical processes in land surface models is necessary to accurately simulate energy, water and carbon budgets at the field, regional, and global scales. However, the evaluation of crop models that can be coupled to earth system models is relative...

Rainfall–runoff model parameter estimation and uncertainty evaluation on small plots

EPA Science Inventory

Four seasonal rainfall simulations in 2009 and 2010were applied to a field containing 36 plots (0.75 × 2 m each), resulting in 144 runoff events. In all simulations, a constant rate of rainfall was applied then halted 60min after initiation of runoff, with plot-scale monitoring o...

The Big Breach: An Experiential Learning Exercise in Mindful Crisis Communication

ERIC Educational Resources Information Center

Fuller, Ryan P.

2016-01-01

Crises threaten high-priority goals of impacted organizations. In the field, trainings range from overviews of crisis plans to full-scale exercises that simulate a crisis. In the classroom, simulations engage multiple learning styles, and allow students to reflect on observations and provide recommendations. The objectives for this unit activity…

Rainfall-runoff model parameter estimation and uncertainty evaluation on small plots

USDA-ARS?s Scientific Manuscript database

Four seasonal rainfall simulations in 2009 and 2010 were applied to a field containing 36 plots (0.75 × 2 m each), resulting in 144 runoff events. In all simulations, a constant rate of rainfall was applied, then halted 60 minutes after initiation of runoff, with plot-scale monitoring of runoff ever...

RESULTS OF PHOTOCHEMICAL SIMULATIONS OF SUBGRID SCALE POINT SOURCE EMISSIONS WITH THE MODELS-3 CMAQ MODELING SYSTEM

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) / Plume-in-Grid (PinG) model was applied on a domain encompassing the greater Nashville, Tennessee region. Model simulations were performed for selected days in July 1995 during the Southern Oxidant Study (SOS) field study program wh...

Hybrid Optimal Design of the Eco-Hydrological Wireless Sensor Network in the Middle Reach of the Heihe River Basin, China

PubMed Central

Kang, Jian; Li, Xin; Jin, Rui; Ge, Yong; Wang, Jinfeng; Wang, Jianghao

2014-01-01

The eco-hydrological wireless sensor network (EHWSN) in the middle reaches of the Heihe River Basin in China is designed to capture the spatial and temporal variability and to estimate the ground truth for validating the remote sensing productions. However, there is no available prior information about a target variable. To meet both requirements, a hybrid model-based sampling method without any spatial autocorrelation assumptions is developed to optimize the distribution of EHWSN nodes based on geostatistics. This hybrid model incorporates two sub-criteria: one for the variogram modeling to represent the variability, another for improving the spatial prediction to evaluate remote sensing productions. The reasonability of the optimized EHWSN is validated from representativeness, the variogram modeling and the spatial accuracy through using 15 types of simulation fields generated with the unconditional geostatistical stochastic simulation. The sampling design shows good representativeness; variograms estimated by samples have less than 3% mean error relative to true variograms. Then, fields at multiple scales are predicted. As the scale increases, estimated fields have higher similarities to simulation fields at block sizes exceeding 240 m. The validations prove that this hybrid sampling method is effective for both objectives when we do not know the characteristics of an optimized variables. PMID:25317762

Hybrid optimal design of the eco-hydrological wireless sensor network in the middle reach of the Heihe River Basin, China.

PubMed

Kang, Jian; Li, Xin; Jin, Rui; Ge, Yong; Wang, Jinfeng; Wang, Jianghao

2014-10-14

The eco-hydrological wireless sensor network (EHWSN) in the middle reaches of the Heihe River Basin in China is designed to capture the spatial and temporal variability and to estimate the ground truth for validating the remote sensing productions. However, there is no available prior information about a target variable. To meet both requirements, a hybrid model-based sampling method without any spatial autocorrelation assumptions is developed to optimize the distribution of EHWSN nodes based on geostatistics. This hybrid model incorporates two sub-criteria: one for the variogram modeling to represent the variability, another for improving the spatial prediction to evaluate remote sensing productions. The reasonability of the optimized EHWSN is validated from representativeness, the variogram modeling and the spatial accuracy through using 15 types of simulation fields generated with the unconditional geostatistical stochastic simulation. The sampling design shows good representativeness; variograms estimated by samples have less than 3% mean error relative to true variograms. Then, fields at multiple scales are predicted. As the scale increases, estimated fields have higher similarities to simulation fields at block sizes exceeding 240 m. The validations prove that this hybrid sampling method is effective for both objectives when we do not know the characteristics of an optimized variables.

A Study into the Impact of Physical Structures on the Runway Velocity Field at the Atlantic City International Airport

NASA Astrophysics Data System (ADS)

King, David, Jr.; Manson, Russell; Trout, Joseph; Decicco, Nicholas; Rios, Manny

2015-04-01

Wake vortices are generated by airplanes in flight. These vortices decay slowly and may persist for several minutes after their creation. These vortices and associated smaller scale turbulent structures present a hazard to incoming flights. It is for this reason that incoming flights are timed to arrive after these vortices have dissipated. Local weather conditions, mainly prevailing winds, can affect the transport and evolution of these vortices; therefore, there is a need to fully understand localized wind patterns at the airport-sized mircoscale. Here we have undertaken a computational investigation into the impacts of localized wind flows and physical structures on the velocity field at Atlantic City International Airport. The simulations are undertaken in OpenFOAM, an open source computational fluid dynamics software package, using an optimized geometric mesh of the airport. Initial conditions for the simulations are based on historical data with the option to run simulations based on projected weather conditions imported from the Weather Research & Forcasting (WRF) Model. Sub-grid scale turbulence is modeled using a Large Eddy Simulation (LES) approach. The initial results gathered from the WRF Model simulations and historical weather data analysis are presented elsewhere.

The cluster galaxy circular velocity function

NASA Astrophysics Data System (ADS)

Desai, V.; Dalcanton, J. J.; Mayer, L.; Reed, D.; Quinn, T.; Governato, F.

2004-06-01

We present galaxy circular velocity functions (GCVFs) for 34 low-redshift (z<~ 0.15) clusters identified in the Sloan Digital Sky Survey (SDSS), for 15 clusters drawn from dark matter simulations of hierarchical structure growth in a ΛCDM cosmology, and for ~22 000 SDSS field galaxies. We find that the simulations successfully reproduce the shape, amplitude and scatter in the observed distribution of cluster galaxy circular velocities. The power-law slope of the observed cluster GCVF is ~-2.4, independent of cluster velocity dispersion. The average slope of the simulated GCVFs is somewhat steeper, although formally consistent given the errors. We find that the effects of baryons on galaxy rotation curves is to flatten the simulated cluster GCVF into better agreement with observations. The cumulative GCVFs of the simulated clusters are very similar across a wide range of cluster masses, provided individual subhalo circular velocities are scaled by the circular velocities of the parent cluster. The scatter is consistent with that measured in the cumulative, scaled observed cluster GCVF. Finally, the observed field GCVF deviates significantly from a power law, being flatter than the cluster GCVF at circular velocities less than 200 km s-1.

Atomistic minimal model for estimating profile of electrodeposited nanopatterns

NASA Astrophysics Data System (ADS)

Asgharpour Hassankiadeh, Somayeh; Sadeghi, Ali

2018-06-01

We develop a computationally efficient and methodologically simple approach to realize molecular dynamics simulations of electrodeposition. Our minimal model takes into account the nontrivial electric field due a sharp electrode tip to perform simulations of the controllable coating of a thin layer on a surface with an atomic precision. On the atomic scale a highly site-selective electrodeposition of ions and charged particles by means of the sharp tip of a scanning probe microscope is possible. A better understanding of the microscopic process, obtained mainly from atomistic simulations, helps us to enhance the quality of this nanopatterning technique and to make it applicable in fabrication of nanowires and nanocontacts. In the limit of screened inter-particle interactions, it is feasible to run very fast simulations of the electrodeposition process within the framework of the proposed model and thus to investigate how the shape of the overlayer depends on the tip-sample geometry and dielectric properties, electrolyte viscosity, etc. Our calculation results reveal that the sharpness of the profile of a nano-scale deposited overlayer is dictated by the normal-to-sample surface component of the electric field underneath the tip.

3D Hybrid Simulations of Interactions of High-Velocity Plasmoids with Obstacles

NASA Astrophysics Data System (ADS)

Omelchenko, Y. A.; Weber, T. E.; Smith, R. J.

2015-11-01

Interactions of fast plasma streams and objects with magnetic obstacles (dipoles, mirrors, etc) lie at the core of many space and laboratory plasma phenomena ranging from magnetoshells and solar wind interactions with planetary magnetospheres to compact fusion plasmas (spheromaks and FRCs) to astrophysics-in-lab experiments. Properly modeling ion kinetic, finite-Larmor radius and Hall effects is essential for describing large-scale plasma dynamics, turbulence and heating in complex magnetic field geometries. Using an asynchronous parallel hybrid code, HYPERS, we conduct 3D hybrid (particle-in-cell ion, fluid electron) simulations of such interactions under realistic conditions that include magnetic flux coils, ion-ion collisions and the Chodura resistivity. HYPERS does not step simulation variables synchronously in time but instead performs time integration by executing asynchronous discrete events: updates of particles and fields carried out as frequently as dictated by local physical time scales. Simulations are compared with data from the MSX experiment which studies the physics of magnetized collisionless shocks through the acceleration and subsequent stagnation of FRC plasmoids against a strong magnetic mirror and flux-conserving boundary.

Initial conditions for cosmological N-body simulations of the scalar sector of theories of Newtonian, Relativistic and Modified Gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valkenburg, Wessel; Hu, Bin, E-mail: valkenburg@lorentz.leidenuniv.nl, E-mail: hu@lorentz.leidenuniv.nl

2015-09-01

We present a description for setting initial particle displacements and field values for simulations of arbitrary metric theories of gravity, for perfect and imperfect fluids with arbitrary characteristics. We extend the Zel'dovich Approximation to nontrivial theories of gravity, and show how scale dependence implies curved particle paths, even in the entirely linear regime of perturbations. For a viable choice of Effective Field Theory of Modified Gravity, initial conditions set at high redshifts are affected at the level of up to 5% at Mpc scales, which exemplifies the importance of going beyond Λ-Cold Dark Matter initial conditions for modifications of gravitymore » outside of the quasi-static approximation. In addition, we show initial conditions for a simulation where a scalar modification of gravity is modelled in a Lagrangian particle-like description. Our description paves the way for simulations and mock galaxy catalogs under theories of gravity beyond the standard model, crucial for progress towards precision tests of gravity and cosmology.« less

Scaling of graphene field-effect transistors supported on hexagonal boron nitride: radio-frequency stability as a limiting factor

NASA Astrophysics Data System (ADS)

Feijoo, Pedro C.; Pasadas, Francisco; Iglesias, José M.; Martín, María J.; Rengel, Raúl; Li, Changfeng; Kim, Wonjae; Riikonen, Juha; Lipsanen, Harri; Jiménez, David

2017-12-01

The quality of graphene in nanodevices has increased hugely thanks to the use of hexagonal boron nitride as a supporting layer. This paper studies to which extent hBN together with channel length scaling can be exploited in graphene field-effect transistors (GFETs) to get a competitive radio-frequency (RF) performance. Carrier mobility and saturation velocity were obtained from an ensemble Monte Carlo simulator that accounted for the relevant scattering mechanisms (intrinsic phonons, scattering with impurities and defects, etc). This information is fed into a self-consistent simulator, which solves the drift-diffusion equation coupled with the two-dimensional Poisson’s equation to take full account of short channel effects. Simulated GFET characteristics were benchmarked against experimental data from our fabricated devices. Our simulations show that scalability is supposed to bring to RF performance an improvement that is, however, highly limited by instability. Despite the possibility of a lower performance, a careful choice of the bias point can avoid instability. Nevertheless, maximum oscillation frequencies are still achievable in the THz region for channel lengths of a few hundreds of nanometers.

Direct Numerical Simulation of a Temporally Evolving Incompressible Plane Wake: Effect of Initial Conditions on Evolution and Topology

NASA Technical Reports Server (NTRS)

Sondergaard, R.; Cantwell, B.; Mansour, N.

1997-01-01

Direct numerical simulations have been used to examine the effect of the initial disturbance field on the development of three-dimensionality and the transition to turbulence in the incompressible plane wake. The simulations were performed using a new numerical method for solving the time-dependent, three-dimensional, incompressible Navier-Stokes equations in flows with one infinite and two periodic directions. The method uses standard Fast Fourier Transforms and is applicable to cases where the vorticity field is compact in the infinite direction. Initial disturbances fields examined were combinations of two-dimensional waves and symmetric pairs of 60 deg oblique waves at the fundamental, subharmonic, and sub-subharmonic wavelengths. The results of these simulations indicate that the presence of 60 deg disturbances at the subharmonic streamwise wavelength results in the development of strong coherent three-dimensional structures. The resulting strong three-dimensional rate-of-strain triggers the growth of intense fine scale motions. Wakes initiated with 60 deg disturbances at the fundamental streamwise wavelength develop weak coherent streamwise structures, and do not develop significant fine scale motions, even at high Reynolds numbers. The wakes which develop strong three-dimensional structures exhibit growth rates on par with experimentally observed turbulent plane wakes. Wakes which develop only weak three-dimensional structures exhibit significantly lower late time growth rates. Preliminary studies of wakes initiated with an oblique fundamental and a two-dimensional subharmonic, which develop asymmetric coherent oblique structures at the subharmonic wavelength, indicate that significant fine scale motions only develop if the resulting oblique structures are above an angle of approximately 45 deg.

Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations.

PubMed

Buslaev, Pavel; Gordeliy, Valentin; Grudinin, Sergei; Gushchin, Ivan

2016-03-08

Molecular dynamics simulations of lipid bilayers are ubiquitous nowadays. Usually, either global properties of the bilayer or some particular characteristics of each lipid molecule are evaluated in such simulations, but the structural properties of the molecules as a whole are rarely studied. Here, we show how a comprehensive quantitative description of conformational space and dynamics of a single lipid molecule can be achieved via the principal component analysis (PCA). We illustrate the approach by analyzing and comparing simulations of DOPC bilayers obtained using eight different force fields: all-atom generalized AMBER, CHARMM27, CHARMM36, Lipid14, and Slipids and united-atom Berger, GROMOS43A1-S3, and GROMOS54A7. Similarly to proteins, most of the structural variance of a lipid molecule can be described by only a few principal components. These major components are similar in different simulations, although there are notable distinctions between the older and newer force fields and between the all-atom and united-atom force fields. The DOPC molecules in the simulations generally equilibrate on the time scales of tens to hundreds of nanoseconds. The equilibration is the slowest in the GAFF simulation and the fastest in the Slipids simulation. Somewhat unexpectedly, the equilibration in the united-atom force fields is generally slower than in the all-atom force fields. Overall, there is a clear separation between the more variable previous generation force fields and significantly more similar new generation force fields (CHARMM36, Lipid14, Slipids). We expect that the presented approaches will be useful for quantitative analysis of conformations and dynamics of individual lipid molecules in other simulations of lipid bilayers.

Transport of cosmic-ray protons in intermittent heliospheric turbulence: Model and simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alouani-Bibi, Fathallah; Le Roux, Jakobus A., E-mail: fb0006@uah.edu

The transport of charged energetic particles in the presence of strong intermittent heliospheric turbulence is computationally analyzed based on known properties of the interplanetary magnetic field and solar wind plasma at 1 astronomical unit. The turbulence is assumed to be static, composite, and quasi-three-dimensional with a varying energy distribution between a one-dimensional Alfvénic (slab) and a structured two-dimensional component. The spatial fluctuations of the turbulent magnetic field are modeled either as homogeneous with a Gaussian probability distribution function (PDF), or as intermittent on large and small scales with a q-Gaussian PDF. Simulations showed that energetic particle diffusion coefficients both parallelmore » and perpendicular to the background magnetic field are significantly affected by intermittency in the turbulence. This effect is especially strong for parallel transport where for large-scale intermittency results show an extended phase of subdiffusive parallel transport during which cross-field transport diffusion dominates. The effects of intermittency are found to depend on particle rigidity and the fraction of slab energy in the turbulence, yielding a perpendicular to parallel mean free path ratio close to 1 for large-scale intermittency. Investigation of higher order transport moments (kurtosis) indicates that non-Gaussian statistical properties of the intermittent turbulent magnetic field are present in the parallel transport, especially for low rigidity particles at all times.« less

Numerical Simulation of Dispersion from Urban Greenhouse Gas Sources

NASA Astrophysics Data System (ADS)

Nottrott, Anders; Tan, Sze; He, Yonggang; Winkler, Renato

2017-04-01

Cities are characterized by complex topography, inhomogeneous turbulence, and variable pollutant source distributions. These features create a scale separation between local sources and urban scale emissions estimates known as the Grey-Zone. Modern computational fluid dynamics (CFD) techniques provide a quasi-deterministic, physically based toolset to bridge the scale separation gap between source level dynamics, local measurements, and urban scale emissions inventories. CFD has the capability to represent complex building topography and capture detailed 3D turbulence fields in the urban boundary layer. This presentation discusses the application of OpenFOAM to urban CFD simulations of natural gas leaks in cities. OpenFOAM is an open source software for advanced numerical simulation of engineering and environmental fluid flows. When combined with free or low cost computer aided drawing and GIS, OpenFOAM generates a detailed, 3D representation of urban wind fields. OpenFOAM was applied to model scalar emissions from various components of the natural gas distribution system, to study the impact of urban meteorology on mobile greenhouse gas measurements. The numerical experiments demonstrate that CH4 concentration profiles are highly sensitive to the relative location of emission sources and buildings. Sources separated by distances of 5-10 meters showed significant differences in vertical dispersion of plumes, due to building wake effects. The OpenFOAM flow fields were combined with an inverse, stochastic dispersion model to quantify and visualize the sensitivity of point sensors to upwind sources in various built environments. The Boussinesq approximation was applied to investigate the effects of canopy layer temperature gradients and convection on sensor footprints.

A phase-field lattice Boltzmann model for simulating multiphase flows in porous media: Application and comparison to experiments of CO2 sequestration at pore scale

NASA Astrophysics Data System (ADS)

Fakhari, Abbas; Li, Yaofa; Bolster, Diogo; Christensen, Kenneth T.

2018-04-01

We implement a phase-field based lattice-Boltzmann (LB) method for numerical simulation of multiphase flows in heterogeneous porous media at pore scales with wettability effects. The present method can handle large density and viscosity ratios, pertinent to many practical problems. As a practical application, we study multiphase flow in a micromodel representative of CO2 invading a water-saturated porous medium at reservoir conditions, both numerically and experimentally. We focus on two flow cases with (i) a crossover from capillary fingering to viscous fingering at a relatively small capillary number, and (ii) viscous fingering at a relatively moderate capillary number. Qualitative and quantitative comparisons are made between numerical results and experimental data for temporal and spatial CO2 saturation profiles, and good agreement is found. In particular, a correlation analysis shows that any differences between simulations and results are comparable to intra-experimental differences from replicate experiments. A key conclusion of this work is that system behavior is highly sensitive to boundary conditions, particularly inlet and outlet ones. We finish with a discussion on small-scale flow features, such as the emergence of strong recirculation zones as well as flow in which the residual phase is trapped, including a close look at the detailed formation of a water cone. Overall, the proposed model yields useful information, such as the spatiotemporal evolution of the CO2 front and instantaneous velocity fields, which are valuable for understanding the mechanisms of CO2 infiltration at the pore scale.

Reactivating dynamics for the susceptible-infected-susceptible model: a simple method to simulate the absorbing phase

NASA Astrophysics Data System (ADS)

Macedo-Filho, A.; Alves, G. A.; Costa Filho, R. N.; Alves, T. F. A.

2018-04-01

We investigated the susceptible-infected-susceptible model on a square lattice in the presence of a conjugated field based on recently proposed reactivating dynamics. Reactivating dynamics consists of reactivating the infection by adding one infected site, chosen randomly when the infection dies out, avoiding the dynamics being trapped in the absorbing state. We show that the reactivating dynamics can be interpreted as the usual dynamics performed in the presence of an effective conjugated field, named the reactivating field. The reactivating field scales as the inverse of the lattice number of vertices n, which vanishes at the thermodynamic limit and does not affect any scaling properties including ones related to the conjugated field.

Evolution of hydromagnetic turbulence from the electroweak phase transition

NASA Astrophysics Data System (ADS)

Brandenburg, Axel; Kahniashvili, Tina; Mandal, Sayan; Pol, Alberto Roper; Tevzadze, Alexander G.; Vachaspati, Tanmay

2017-12-01

We present new simulations of decaying hydromagnetic turbulence for a relativistic equation of state relevant to the early Universe. We compare helical and nonhelical cases either with kinetically or magnetically dominated initial fields. Both kinetic and magnetic initial helicities lead to maximally helical magnetic fields after some time, but with different temporal decay laws. Both are relevant to the early Universe, although no mechanisms have yet been identified that produce magnetic helicity with strengths comparable to the big bang nucleosynthesis limit at scales comparable to the Hubble horizon at the electroweak phase transition. Nonhelical magnetically dominated fields could still produce picoGauss magnetic fields under most optimistic conditions. Only helical magnetic fields can potentially have nanoGauss strengths at scales up to 30 kpc today.

Scaling of Electron Heating During Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Ohia, O.; Le, A.; Daughton, W. S.; Egedal, J.

2016-12-01

While magnetic reconnection plays a major role in accelerating and heating magnetospheric plasma, it remains poorly understood how the level of particle energization depends on the plasma conditions. Meanwhile, a recent survey of THEMIS magnetopause reconnection observations [Phan et al. GRL 2013] and a numerical study [Shay et al. PoP 2014] found empirically that the electron heating scales with the square of the upstream Alfven speed. Equivalently for weak guide fields, the fractional electron temperature increase is inversely proportional to the upstream electron beta (ratio of electron to magnetic pressure). We present models for symmetric reconnection with moderate [Ohia et al., GRL 2015] or zero guide field that predict the electron bulk heating. In the models, adiabatically trapped electrons gain energy from parallel electric fields in the inflowing region. For purely anti-parallel reconnection, meandering electrons receive additional energy from the reconnection electric field. The predicted scalings are in quantitative agreement with fluid and kinetic simulations, as well as spacecraft observations. Using kinetic simulations, we extend this work to explore how the layer dynamics and electron bulk heating vary as functions of the magnetic shear and plasma and magnetic pressure asymmetry across the reconnection layer. These results are pertinent to recent Magnetospheric Multiscale (MMS) Mission measurements of electron dynamics during dayside magnetopause reconnection.

On magnetic field amplification and particle acceleration near non-relativistic collisionless shocks: Particles in MHD Cells simulations

NASA Astrophysics Data System (ADS)

Casse, F.; van Marle, A. J.; Marcowith, A.

2018-01-01

We present simulations of magnetized astrophysical shocks taking into account the interplay between the thermal plasma of the shock and supra-thermal particles. Such interaction is depicted by combining a grid-based magneto-hydrodynamics description of the thermal fluid with particle-in-cell techniques devoted to the dynamics of supra-thermal particles. This approach, which incorporates the use of adaptive mesh refinement features, is potentially a key to simulate astrophysical systems on spatial scales that are beyond the reach of pure particle-in-cell simulations. We consider non-relativistic super-Alfénic shocks with various magnetic field obliquity. We recover all the features from previous studies when the magnetic field is parallel to the normal to the shock. In contrast with previous particle-in-cell and hybrid simulations, we find that particle acceleration and magnetic field amplification also occur when the magnetic field is oblique to the normal to the shock but on larger timescales than in the parallel case. We show that in our oblique shock simulations the streaming of supra-thermal particles induces a corrugation of the shock front. Such oscillations of both the shock front and the magnetic field then locally helps the particles to enter the upstream region and to initiate a non-resonant streaming instability and finally to induce diffuse particle acceleration.

Absorbing boundaries in numerical solutions of the time-dependent Schroedinger equation on a grid using exterior complex scaling

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, F.; Ruiz, C.; Becker, A.

We study the suppression of reflections in the numerical simulation of the time-dependent Schroedinger equation for strong-field problems on a grid using exterior complex scaling (ECS) as an absorbing boundary condition. It is shown that the ECS method can be applied in both the length and the velocity gauge as long as appropriate approximations are applied in the ECS transformation of the electron-field coupling. It is found that the ECS method improves the suppression of reflection as compared to the conventional masking function technique in typical simulations of atoms exposed to an intense laser pulse. Finally, we demonstrate the advantagemore » of the ECS technique to avoid unphysical artifacts in the evaluation of high harmonic spectra.« less

On the Reduction of Molecular Degrees of Freedom in Computer Simulations

NASA Astrophysics Data System (ADS)

Lyubartsev, Alexander P.; Laaksonen, Aatto

Molecular simulations, based on atomistic force fields are a standard theoretical tool in materials, polymers and biosciences. While various methods, with quantum chemistry incorporated, have been developed for condensed phase simulations during the last decade, there is another line of development with the purpose to bridge the time and length scales based on coarse-graining. This is expected to lead to some very interesting breakthroughs in the near future. In this lecture we will first give some background to common atomistic force fields. After that, we review a few common simple techniques for reducing the number of motional degrees of freedom to speed up the simulations. Finally, we present a powerful method for reducing uninteresting degrees of freedom. This is done by solving the Inverse Problem to obtain the interaction potentials. More precisely, we make use of the radial distribution functions, and by using the method of Inverse Monte Carlo [Lyubartsev & Laaksonen, Phys. Rev. E. 52, 3730 (1995)], we can construct effective potentials which are consistent with the original RDFs. This makes it possible to simulate much larger system than would have been possible by using atomistic force fields. We present many examples: How to simulate aqueous electrolyte solutions without any water molecules but still having the hydration structure around the ions - at the speed of a primitive electrolyte model calculation. We demonstrate how a coarse-grained model can be constructed for a double-helix DNA and how it can be used. It is accurate enough to reproduce the experimental results for ion condensation around DNA for several different counterions. We also show how we can construct site-site potentials for large-scale atomistic classical simulations of arbitrary liquids from smaller scale ab initio simulations. This methodology allows us to start from a simulation with the electrons and atomic nuclei, to construct a set of atomistic effective interaction potentials, and to use them in classical simulations. As a next step we can construct a new set of potentials beyond the atomistic description and carry out mesoscopic simulations, for example by using Dissipative Particle Dynamics. In this way we can tie together three different levels of description. The Dissipative Particle Dynamics method appears as a very promising tool to use with our coarse-grained potentials.

A chemical EOR benchmark study of different reservoir simulators

NASA Astrophysics Data System (ADS)

Goudarzi, Ali; Delshad, Mojdeh; Sepehrnoori, Kamy

2016-09-01

Interest in chemical EOR processes has intensified in recent years due to the advancements in chemical formulations and injection techniques. Injecting Polymer (P), surfactant/polymer (SP), and alkaline/surfactant/polymer (ASP) are techniques for improving sweep and displacement efficiencies with the aim of improving oil production in both secondary and tertiary floods. There has been great interest in chemical flooding recently for different challenging situations. These include high temperature reservoirs, formations with extreme salinity and hardness, naturally fractured carbonates, and sandstone reservoirs with heavy and viscous crude oils. More oil reservoirs are reaching maturity where secondary polymer floods and tertiary surfactant methods have become increasingly important. This significance has added to the industry's interest in using reservoir simulators as tools for reservoir evaluation and management to minimize costs and increase the process efficiency. Reservoir simulators with special features are needed to represent coupled chemical and physical processes present in chemical EOR processes. The simulators need to be first validated against well controlled lab and pilot scale experiments to reliably predict the full field implementations. The available data from laboratory scale include 1) phase behavior and rheological data; and 2) results of secondary and tertiary coreflood experiments for P, SP, and ASP floods under reservoir conditions, i.e. chemical retentions, pressure drop, and oil recovery. Data collected from corefloods are used as benchmark tests comparing numerical reservoir simulators with chemical EOR modeling capabilities such as STARS of CMG, ECLIPSE-100 of Schlumberger, REVEAL of Petroleum Experts. The research UTCHEM simulator from The University of Texas at Austin is also included since it has been the benchmark for chemical flooding simulation for over 25 years. The results of this benchmark comparison will be utilized to improve chemical design for field-scale studies using commercial simulators. The benchmark tests illustrate the potential of commercial simulators for chemical flooding projects and provide a comprehensive table of strengths and limitations of each simulator for a given chemical EOR process. Mechanistic simulations of chemical EOR processes will provide predictive capability and can aid in optimization of the field injection projects. The objective of this paper is not to compare the computational efficiency and solution algorithms; it only focuses on the process modeling comparison.

Simulating Virtual Terminal Area Weather Data Bases for Use in the Wake Vortex Avoidance System (Wake VAS) Prediction Algorithm

NASA Technical Reports Server (NTRS)

Kaplan, Michael L.; Lin, Yuh-Lang

2004-01-01

During the research project, sounding datasets were generated for the region surrounding 9 major airports, including Dallas, TX, Boston, MA, New York, NY, Chicago, IL, St. Louis, MO, Atlanta, GA, Miami, FL, San Francico, CA, and Los Angeles, CA. The numerical simulation of winter and summer environments during which no instrument flight rule impact was occurring at these 9 terminals was performed using the most contemporary version of the Terminal Area PBL Prediction System (TAPPS) model nested from 36 km to 6 km to 1 km horizontal resolution and very detailed vertical resolution in the planetary boundary layer. The soundings from the 1 km model were archived at 30 minute time intervals for a 24 hour period and the vertical dependent variables as well as derived quantities, i.e., 3-dimensional wind components, temperatures, pressures, mixing ratios, turbulence kinetic energy and eddy dissipation rates were then interpolated to 5 m vertical resolution up to 1000 m elevation above ground level. After partial validation against field experiment datasets for Dallas as well as larger scale and much coarser resolution observations at the other 8 airports, these sounding datasets were sent to NASA for use in the Virtual Air Space and Modeling program. The application of these datasets being to determine representative airport weather environments to diagnose the response of simulated wake vortices to realistic atmospheric environments. These virtual datasets are based on large scale observed atmospheric initial conditions that are dynamically interpolated in space and time. The 1 km nested-grid simulated datasets providing a very coarse and highly smoothed representation of airport environment meteorological conditions. Details concerning the airport surface forcing are virtually absent from these simulated datasets although the observed background atmospheric processes have been compared to the simulated fields and the fields were found to accurately replicate the flows surrounding the airport where coarse verification data were available as well as where airport scale datasets were available.

Assessing applicability of SWAT calibrated at multiple spatial scales from field to stream

USDA-ARS?s Scientific Manuscript database

The capability of SWAT for simulating long-term hydrology and water quality was evaluated using data collected in subwatershed K of the Little River Experimental watershed located in South Atlantic Coastal Plain of the USA. The SWAT model was calibrated to measurements made at various spatial scales...

MODELING PROCESSES CONTROLLING MERCURY FATE IN WATERSHEDS RECEIVING ATMOSPHERIC DEPOSITION - COMPARISON OF FIELD SCALE GLEAMS AND WATERSHED SCALE WCS-GBMM

EPA Science Inventory

Long-term simulations of mercury fate in watersheds are needed to support regulations such as TMDLs and to predict the effectiveness of regulatory proposals, such as the Clean Air Mercury Rule (CAMR). Scientific uncertainties in mercury fate process descriptions combined with in...

SITE EMERGING TECHNOLOGY SUMMARY: INTEGRATION OF PHOTOCATALYTIC OXIDATION WITH AIR STRIPPING OF CONTAMINATED AQUIFERS

EPA Science Inventory

In a recently completed test program, bench-scale laboratory studies at Arizona State University (ASU) in Tempe, AZ, and pilot-scale studies in a simulated field test situation at Zentox Corp in Ocala, FL, were performed to evaluate the integration of gas-solid ultraviolet (UV) p...

Numerical modeling of laser-driven experiments aiming to demonstrate magnetic field amplification via turbulent dynamo

NASA Astrophysics Data System (ADS)

Tzeferacos, P.; Rigby, A.; Bott, A.; Bell, A. R.; Bingham, R.; Casner, A.; Cattaneo, F.; Churazov, E. M.; Emig, J.; Flocke, N.; Fiuza, F.; Forest, C. B.; Foster, J.; Graziani, C.; Katz, J.; Koenig, M.; Li, C.-K.; Meinecke, J.; Petrasso, R.; Park, H.-S.; Remington, B. A.; Ross, J. S.; Ryu, D.; Ryutov, D.; Weide, K.; White, T. G.; Reville, B.; Miniati, F.; Schekochihin, A. A.; Froula, D. H.; Gregori, G.; Lamb, D. Q.

2017-04-01

The universe is permeated by magnetic fields, with strengths ranging from a femtogauss in the voids between the filaments of galaxy clusters to several teragauss in black holes and neutron stars. The standard model behind cosmological magnetic fields is the nonlinear amplification of seed fields via turbulent dynamo to the values observed. We have conceived experiments that aim to demonstrate and study the turbulent dynamo mechanism in the laboratory. Here, we describe the design of these experiments through simulation campaigns using FLASH, a highly capable radiation magnetohydrodynamics code that we have developed, and large-scale three-dimensional simulations on the Mira supercomputer at the Argonne National Laboratory. The simulation results indicate that the experimental platform may be capable of reaching a turbulent plasma state and determining the dynamo amplification. We validate and compare our numerical results with a small subset of experimental data using synthetic diagnostics.

Intermittency, coherent structures and dissipation in plasma turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, M.; Matthaeus, W. H.; Parashar, T. N.

Collisionless dissipation in turbulent plasmas such as the solar wind and the solar corona has been an intensively studied subject recently, with new insights often emerging from numerical simulation. Here we report results from high resolution, fully kinetic simulations of plasma turbulence in both two (2D) and three (3D) dimensions, studying the relationship between intermittency and dissipation. The simulations show development of turbulent coherent structures, characterized by sheet-like current density structures spanning a range of scales. An approximate dissipation measure is employed, based on work done by the electromagnetic field in the local electron fluid frame. This surrogate dissipation measuremore » is highly concentrated in small subvolumes in both 2D and 3D simulations. Fully kinetic simulations are also compared with magnetohydrodynamics (MHD) simulations in terms of coherent structures and dissipation. The interesting result emerges that the conditional averages of dissipation measure scale very similarly with normalized current density J in 2D and 3D particle-in-cell and in MHD. To the extent that the surrogate dissipation measure is accurate, this result implies that on average dissipation scales as ∼J{sup 2} in turbulent kinetic plasma. Multifractal intermittency is seen in the inertial range in both 2D and 3D, but at scales ∼ion inertial length, the scaling is closer to monofractal.« less

A New Approach to Modeling Jupiter's Magnetosphere

NASA Astrophysics Data System (ADS)

Fukazawa, K.; Katoh, Y.; Walker, R. J.; Kimura, T.; Tsuchiya, F.; Murakami, G.; Kita, H.; Tao, C.; Murata, K. T.

2017-12-01

The scales in planetary magnetospheres range from 10s of planetary radii to kilometers. For a number of years we have studied the magnetospheres of Jupiter and Saturn by using 3-dimensional magnetohydrodynamic (MHD) simulations. However, we have not been able to reach even the limits of the MHD approximation because of the large amount of computer resources required. Recently thanks to the progress in supercomputer systems, we have obtained the capability to simulate Jupiter's magnetosphere with 1000 times the number of grid points used in our previous simulations. This has allowed us to combine the high resolution global simulation with a micro-scale simulation of the Jovian magnetosphere. In particular we can combine a hybrid (kinetic ions and fluid electrons) simulation with the MHD simulation. In addition, the new capability enables us to run multi-parameter survey simulations of the Jupiter-solar wind system. In this study we performed a high-resolution simulation of Jovian magnetosphere to connect with the hybrid simulation, and lower resolution simulations under the various solar wind conditions to compare with Hisaki and Juno observations. In the high-resolution simulation we used a regular Cartesian gird with 0.15 RJ grid spacing and placed the inner boundary at 7 RJ. From these simulation settings, we provide the magnetic field out to around 20 RJ from Jupiter as a background field for the hybrid simulation. For the first time we have been able to resolve Kelvin Helmholtz waves on the magnetopause. We have investigated solar wind dynamic pressures between 0.01 and 0.09 nPa for a number of IMF values. These simulation data are open for the registered users to download the raw data. We have compared the results of these simulations with Hisaki auroral observations.

Cosmic Ray Anisotropies and Magnetic Turbulence Beyond the Heliopause

NASA Astrophysics Data System (ADS)

Florinski, V. A.

2016-12-01

The very local interstellar medium (VLISM), including the outer heliosheath, represents a quiet, almost laminar environment for cosmic-ray propagation. The dominant scale of magnetic-field fluctuations in the VLISM is about a million astronomical units - three orders of magnitude larger than the size of the heliosphere. Under these conditions the transport of cosmic rays is governed mainly by three effects: (a) draping of the magnetic field around the heliopause, (b) bending of magnetic field lines representing VLISM turbulence at large scales, and (c) local deformation of magnetic field lines by disturbances injected into VLISM as a result of solar-wind merged interaction regions impinging on the heliopause. Using analytic and computer-based models of the outer heliosheath magnetic field and phase space trajectory integration techniques to simulate charged particle transport, the relationship between the magnetic field properties and hundred MeV galactic cosmic ray ion anisotropies is investigated. It is demonstrated that anisotropy measurements can be used to deduce the amplitude and spatial scale of interstellar magnetic turbulence.

Simulations of Sea Level Rise Effects on Complex Coastal Systems

NASA Astrophysics Data System (ADS)

Niedoroda, A. W.; Ye, M.; Saha, B.; Donoghue, J. F.; Reed, C. W.

2009-12-01

It is now established that complex coastal systems with elements such as beaches, inlets, bays, and rivers adjust their morphologies according to time-varying balances in between the processes that control the exchange of sediment. Accelerated sea level rise introduces a major perturbation into the sediment-sharing systems. A modeling framework based on a new SL-PR model which is an advanced version of the aggregate-scale CST Model and the event-scale CMS-2D and CMS-Wave combination have been used to simulate the recent evolution of a portion of the Florida panhandle coast. This combination of models provides a method to evaluate coefficients in the aggregate-scale model that were previously treated as fitted parameters. That is, by carrying out simulations of a complex coastal system with runs of the event-scale model representing more than a year it is now possible to directly relate the coefficients in the large-scale SL-PR model to measureable physical parameters in the current and wave fields. This cross-scale modeling procedure has been used to simulate the shoreline evolution at the Santa Rosa Island, a long barrier which houses significant military infrastructure at the north Gulf Coast. The model has been used to simulate 137 years of measured shoreline change and to extend these to predictions of future rates of shoreline migration.

Comparison of different types of medium scale field rainfall simulators

NASA Astrophysics Data System (ADS)

Dostál, Tomáš; Strauss, Peter; Schindewolf, Marcus; Kavka, Petr; Schmidt, Jürgen; Bauer, Miroslav; Neumann, Martin; Kaiser, Andreas; Iserloh, Thomas

2015-04-01

Rainfall simulators are used in numerous experiments to study runoff and soil erosion characteristics. However, they usually differ in their construction details, rainfall generation, plot size and other technical parameters. As field experiments using medium to large scale rainfall simulators (plot length 3 - 8 m) are very much time and labor consuming, close cooperation of individual teams and comparability of results is highly desirable to enlarge the database of results. Two experimental campaigns were organized to compare three field rainfall simulators of similar scale (plot size), but with different technical parameters. The results were then compared, to identify parameters that are crucial for soil loss and surface runoff formation and test if results from individual devices can be reliably compared. The rainfall simulators compared were: field rainfall simulator of CTU Prague (the Czech Republic) (Kavka et al., 2012; EGU2015-11025), field simulator of BAW (Austria) (Strauss et al., 2002) and field simulator of TU Bergakademie Freiberg (Germany) (Schindewolf & Schmidt 2012). The device of CTU Prague is usually applied to a plot size of 9,5 x 2 m employing 4 nozzles SS Full Jet 40WSQ mounted on folding arm, working pressure is 0.8 bar, height of nozzles is 2.65 m. The intensity of rainfall is regulated electronically, which leaves the nozzle opened only for certain time. The rainfall simulator of BAW is constructed as a modular system, which is usually applied for a length of 5 m (area 2 x 5 m), using 6 nozzles SS Full Jet 40WSQ. Usual working pressure is 0.25 bar. Elevation of nozzles is 2.6 m. The intensity of rainfall is regulated electronically, which leaves the nozzle opened only for certain time. The device of TU Bergakademie Freiberg is also standard modular system, working usually with a plot size of 3 x 1 m, using 3 oscillating VeeJet 80/100 nozzles with an usual operating pressure of 0.5 bar. Intensity is regulated by the frequency of sweeps above the experimental plot. Comparison was done during two independent campaigns, where always two devices were present. Rainfall intensity for the experiments varied between 40 to 60 mm/h. Mutual comparison was carried out between the CTU Prague and TU Freiberg RSs at plot size of 3 x 1 m and Between CTU Prague and BAW RSs at plot size of 5 x 2 m. In general, the experiments revealed a significant effect of potential heterogeneities at the experimental plots and an effect of raindrop energy on both surface runoff formation and mainly soil loss. Therefore, coordination of methodology of the experiments and careful control of initial conditions seem to be a crucial point for comparability of results from individual devices. Detailed results will be presented on the poster. The research has been supported by the research grants SGS14/180/OHK1/3T/11, QJ1230056 and 7AMB14AT020. References Kavka, P., Davidová, T., Janotová, B., Bauer, M. a Dostál, T. 2012. Mobilní dešťový simulátor.(in Czech), Stavební obzor. 8, 2012. Schindewolf, M. & J. Schmidt (2012): Parameterization of the EROSION 2D/3D soil erosion model using a small-scale rainfall simulator and upstream runoff simulation, Catena 91, pp. 47-55, DOI: 10.1016/j.catena.2011.01.007 Strauss P., J.Pitty, M.Pfeffer, A. Mentler (2000): Rainfall Simulation for Outdoor Experiments. In: P. Jamet, J. Cornejo(eds.): Current research methods to assess the environmental fate of pesticides. pp. 329-333, INRA Editions.

Large-eddy simulations of compressible convection on massively parallel computers. [stellar physics

NASA Technical Reports Server (NTRS)

Xie, Xin; Toomre, Juri

1993-01-01

We report preliminary implementation of the large-eddy simulation (LES) technique in 2D simulations of compressible convection carried out on the CM-2 massively parallel computer. The convective flow fields in our simulations possess structures similar to those found in a number of direct simulations, with roll-like flows coherent across the entire depth of the layer that spans several density scale heights. Our detailed assessment of the effects of various subgrid scale (SGS) terms reveals that they may affect the gross character of convection. Yet, somewhat surprisingly, we find that our LES solutions, and another in which the SGS terms are turned off, only show modest differences. The resulting 2D flows realized here are rather laminar in character, and achieving substantial turbulence may require stronger forcing and less dissipation.

Mesh refinement in a two-dimensional large eddy simulation of a forced shear layer

NASA Technical Reports Server (NTRS)

Claus, R. W.; Huang, P. G.; Macinnes, J. M.

1989-01-01

A series of large eddy simulations are made of a forced shear layer and compared with experimental data. Several mesh densities were examined to separate the effect of numerical inaccuracy from modeling deficiencies. The turbulence model that was used to represent small scale, 3-D motions correctly predicted some gross features of the flow field, but appears to be structurally incorrect. The main effect of mesh refinement was to act as a filter on the scale of vortices that developed from the inflow boundary conditions.

An immersed boundary method for direct and large eddy simulation of stratified flows in complex geometry

NASA Astrophysics Data System (ADS)

Rapaka, Narsimha R.; Sarkar, Sutanu

2016-10-01

A sharp-interface Immersed Boundary Method (IBM) is developed to simulate density-stratified turbulent flows in complex geometry using a Cartesian grid. The basic numerical scheme corresponds to a central second-order finite difference method, third-order Runge-Kutta integration in time for the advective terms and an alternating direction implicit (ADI) scheme for the viscous and diffusive terms. The solver developed here allows for both direct numerical simulation (DNS) and large eddy simulation (LES) approaches. Methods to enhance the mass conservation and numerical stability of the solver to simulate high Reynolds number flows are discussed. Convergence with second-order accuracy is demonstrated in flow past a cylinder. The solver is validated against past laboratory and numerical results in flow past a sphere, and in channel flow with and without stratification. Since topographically generated internal waves are believed to result in a substantial fraction of turbulent mixing in the ocean, we are motivated to examine oscillating tidal flow over a triangular obstacle to assess the ability of this computational model to represent nonlinear internal waves and turbulence. Results in laboratory-scale (order of few meters) simulations show that the wave energy flux, mean flow properties and turbulent kinetic energy agree well with our previous results obtained using a body-fitted grid (BFG). The deviation of IBM results from BFG results is found to increase with increasing nonlinearity in the wave field that is associated with either increasing steepness of the topography relative to the internal wave propagation angle or with the amplitude of the oscillatory forcing. LES is performed on a large scale ridge, of the order of few kilometers in length, that has the same geometrical shape and same non-dimensional values for the governing flow and environmental parameters as the laboratory-scale topography, but significantly larger Reynolds number. A non-linear drag law is utilized in the large-scale application to parameterize turbulent losses due to bottom friction at high Reynolds number. The large scale problem exhibits qualitatively similar behavior to the laboratory scale problem with some differences: slightly larger intensification of the boundary flow and somewhat higher non-dimensional values for the energy fluxed away by the internal wave field. The phasing of wave breaking and turbulence exhibits little difference between small-scale and large-scale obstacles as long as the important non-dimensional parameters are kept the same. We conclude that IBM is a viable approach to the simulation of internal waves and turbulence in high Reynolds number stratified flows over topography.

Flow field measurements around a Mars lander model using hot film anemometers under simulated Mars surface conditions

NASA Technical Reports Server (NTRS)

Greene, G. C.; Keafer, L. S., Jr.; Marple, C. G.; Foughner, J. T., Jr.

1972-01-01

Results are presented from a wind-tunnel investigation of the flow field around a 0.45-scale model of a Mars lander. The tests were conducted in air at values of Reynolds number equivalent to those anticipated on Mars. The effects of Reynolds number equivalent to those anticipated on Mars. The effects of Reynolds number, model orientation with respect to the airstream, and the position of a dish-type antenna on the flow field were determined. An appendix is included which describes the calibration and operational characteristics of hot-film anemometers under simulated Mars surface conditions.

Multiscale simulations of patchy particle systems combining Molecular Dynamics, Path Sampling and Green's Function Reaction Dynamics

NASA Astrophysics Data System (ADS)

Bolhuis, Peter

Important reaction-diffusion processes, such as biochemical networks in living cells, or self-assembling soft matter, span many orders in length and time scales. In these systems, the reactants' spatial dynamics at mesoscopic length and time scales of microns and seconds is coupled to the reactions between the molecules at microscopic length and time scales of nanometers and milliseconds. This wide range of length and time scales makes these systems notoriously difficult to simulate. While mean-field rate equations cannot describe such processes, the mesoscopic Green's Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. The recently developed multiscale Molecular Dynamics Green's Function Reaction Dynamics (MD-GFRD) approach combines GFRD for simulating the system at the mesocopic scale where particles are far apart, with microscopic Molecular (or Brownian) Dynamics, for simulating the system at the microscopic scale where reactants are in close proximity. The association and dissociation of particles are treated with rare event path sampling techniques. I will illustrate the efficiency of this method for patchy particle systems. Replacing the microscopic regime with a Markov State Model avoids the microscopic regime completely. The MSM is then pre-computed using advanced path-sampling techniques such as multistate transition interface sampling. I illustrate this approach on patchy particle systems that show multiple modes of binding. MD-GFRD is generic, and can be used to efficiently simulate reaction-diffusion systems at the particle level, including the orientational dynamics, opening up the possibility for large-scale simulations of e.g. protein signaling networks.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mamaluy, Denis; Gao, Xujiao; Tierney, Brian David

We created a highly efficient, universal 3D quant um transport simulator. We demonstrated that the simulator scales linearly - both with the problem size (N) and number of CPUs, which presents an important break-through in the field of computational nanoelectronics. It allowed us, for the first time, to accurately simulate and optim ize a large number of realistic nanodevices in a much shorter time, when compared to other methods/codes such as RGF[%7EN 2.333 ]/KNIT, KWANT, and QTBM[%7EN 3 ]/NEMO5. In order to determine the best-in-class for different beyond-CMOS paradigms, we performed rigorous device optimization for high-performance logic devices at 6-,more » 5- and 4-nm gate lengths. We have discovered that there exists a fundamental down-scaling limit for CMOS technology and other Field-Effect Transistors (FETs). We have found that, at room temperatures, all FETs, irre spective of their channel material, will start experiencing unacceptable level of thermally induced errors around 5-nm gate lengths.« less

Predicting scattering scanning near-field optical microscopy of mass-produced plasmonic devices

NASA Astrophysics Data System (ADS)

Otto, Lauren M.; Burgos, Stanley P.; Staffaroni, Matteo; Ren, Shen; Süzer, Özgün; Stipe, Barry C.; Ashby, Paul D.; Hammack, Aeron T.

2018-05-01

Scattering scanning near-field optical microscopy enables optical imaging and characterization of plasmonic devices with nanometer-scale resolution well below the diffraction limit. This technique enables developers to probe and understand the waveguide-coupled plasmonic antenna in as-fabricated heat-assisted magnetic recording heads. In order to validate and predict results and to extract information from experimental measurements that is physically comparable to simulations, a model was developed to translate the simulated electric field into expected near-field measurements using physical parameters specific to scattering scanning near-field optical microscopy physics. The methods used in this paper prove that scattering scanning near-field optical microscopy can be used to determine critical sub-diffraction-limited dimensions of optical field confinement, which is a crucial metrology requirement for the future of nano-optics, semiconductor photonic devices, and biological sensing where the near-field character of light is fundamental to device operation.

Sand waves in environmental flows: Insights gained by coupling large-eddy simulation with morphodynamics

NASA Astrophysics Data System (ADS)

Sotiropoulos, Fotis; Khosronejad, Ali

2016-02-01

Sand waves arise in subaqueous and Aeolian environments as the result of the complex interaction between turbulent flows and mobile sand beds. They occur across a wide range of spatial scales, evolve at temporal scales much slower than the integral scale of the transporting turbulent flow, dominate river morphodynamics, undermine streambank stability and infrastructure during flooding, and sculpt terrestrial and extraterrestrial landscapes. In this paper, we present the vision for our work over the last ten years, which has sought to develop computational tools capable of simulating the coupled interactions of sand waves with turbulence across the broad range of relevant scales: from small-scale ripples in laboratory flumes to mega-dunes in large rivers. We review the computational advances that have enabled us to simulate the genesis and long-term evolution of arbitrarily large and complex sand dunes in turbulent flows using large-eddy simulation and summarize numerous novel physical insights derived from our simulations. Our findings explain the role of turbulent sweeps in the near-bed region as the primary mechanism for destabilizing the sand bed, show that the seeds of the emergent structure in dune fields lie in the heterogeneity of the turbulence and bed shear stress fluctuations over the initially flatbed, and elucidate how large dunes at equilibrium give rise to energetic coherent structures and modify the spectra of turbulence. We also discuss future challenges and our vision for advancing a data-driven simulation-based engineering science approach for site-specific simulations of river flooding.

Bridging the scales in atmospheric composition simulations using a nudging technique

NASA Astrophysics Data System (ADS)

D'Isidoro, Massimo; Maurizi, Alberto; Russo, Felicita; Tampieri, Francesco

2010-05-01

Studying the interaction between climate and anthropogenic activities, specifically those concentrated in megacities/hot spots, requires the description of processes in a very wide range of scales from local, where anthropogenic emissions are concentrated to global where we are interested to study the impact of these sources. The description of all the processes at all scales within the same numerical implementation is not feasible because of limited computer resources. Therefore, different phenomena are studied by means of different numerical models that can cover different range of scales. The exchange of information from small to large scale is highly non-trivial though of high interest. In fact uncertainties in large scale simulations are expected to receive large contribution from the most polluted areas where the highly inhomogeneous distribution of sources connected to the intrinsic non-linearity of the processes involved can generate non negligible departures between coarse and fine scale simulations. In this work a new method is proposed and investigated in a case study (August 2009) using the BOLCHEM model. Monthly simulations at coarse (0.5° European domain, run A) and fine (0.1° Central Mediterranean domain, run B) horizontal resolution are performed using the coarse resolution as boundary condition for the fine one. Then another coarse resolution run (run C) is performed, in which the high resolution fields remapped on to the coarse grid are used to nudge the concentrations on the Po Valley area. The nudging is applied to all gas and aerosol species of BOLCHEM. Averaged concentrations and variances over Po Valley and other selected areas for O3 and PM are computed. It is observed that although the variance of run B is markedly larger than that of run A, the variance of run C is smaller because the remapping procedure removes large portion of variance from run B fields. Mean concentrations show some differences depending on species: in general mean values of run C lie between run A and run B. A propagation of the signal outside the nudging region is observed, and is evaluated in terms of differences between coarse resolution (with and without nudging) and fine resolution simulations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

Large-Scale Flows and Magnetic Fields Produced by Rotating Convection in a Quasi-Geostrophic Model of Planetary Cores

NASA Astrophysics Data System (ADS)

Guervilly, C.; Cardin, P.

2017-12-01

Convection is the main heat transport process in the liquid cores of planets. The convective flows are thought to be turbulent and constrained by rotation (corresponding to high Reynolds numbers Re and low Rossby numbers Ro). Under these conditions, and in the absence of magnetic fields, the convective flows can produce coherent Reynolds stresses that drive persistent large-scale zonal flows. The formation of large-scale flows has crucial implications for the thermal evolution of planets and the generation of large-scale magnetic fields. In this work, we explore this problem with numerical simulations using a quasi-geostrophic approximation to model convective and zonal flows at Re 104 and Ro 10-4 for Prandtl numbers relevant for liquid metals (Pr 0.1). The formation of intense multiple zonal jets strongly affects the convective heat transport, leading to the formation of a mean temperature staircase. We also study the generation of magnetic fields by the quasi-geostrophic flows at low magnetic Prandtl numbers.

Visco-Resistive MHD Modeling Benchmark of Forced Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Beidler, M. T.; Hegna, C. C.; Sovinec, C. R.; Callen, J. D.; Ferraro, N. M.

2016-10-01

The presence of externally-applied 3D magnetic fields can affect important phenomena in tokamaks, including mode locking, disruptions, and edge localized modes. External fields penetrate into the plasma and can lead to forced magnetic reconnection (FMR), and hence magnetic islands, on resonant surfaces if the local plasma rotation relative to the external field is slow. Preliminary visco-resistive MHD simulations of FMR in a slab geometry are consistent with theory. Specifically, linear simulations exhibit proper scaling of the penetrated field with resistivity, viscosity, and flow, and nonlinear simulations exhibit a bifurcation from a flow-screened to a field-penetrated, magnetic island state as the external field is increased, due to the 3D electromagnetic force. These results will be compared to simulations of FMR in a circular cross-section, cylindrical geometry by way of a benchmark between the NIMROD and M3D-C1 extended-MHD codes. Because neither this geometry nor the MHD model has the physics of poloidal flow damping, the theory of will be expanded to include poloidal flow effects. The resulting theory will be tested with linear and nonlinear simulations that vary the resistivity, viscosity, flow, and external field. Supported by OFES DoE Grants DE-FG02-92ER54139, DE-FG02-86ER53218, DE-AC02-09CH11466, and the SciDAC Center for Extended MHD Modeling.

Using a Virtual Experiment to Analyze Infiltration Process from Point to Grid-cell Size Scale

NASA Astrophysics Data System (ADS)

Barrios, M. I.

2013-12-01

The hydrological science requires the emergence of a consistent theoretical corpus driving the relationships between dominant physical processes at different spatial and temporal scales. However, the strong spatial heterogeneities and non-linearities of these processes make difficult the development of multiscale conceptualizations. Therefore, scaling understanding is a key issue to advance this science. This work is focused on the use of virtual experiments to address the scaling of vertical infiltration from a physically based model at point scale to a simplified physically meaningful modeling approach at grid-cell scale. Numerical simulations have the advantage of deal with a wide range of boundary and initial conditions against field experimentation. The aim of the work was to show the utility of numerical simulations to discover relationships between the hydrological parameters at both scales, and to use this synthetic experience as a media to teach the complex nature of this hydrological process. The Green-Ampt model was used to represent vertical infiltration at point scale; and a conceptual storage model was employed to simulate the infiltration process at the grid-cell scale. Lognormal and beta probability distribution functions were assumed to represent the heterogeneity of soil hydraulic parameters at point scale. The linkages between point scale parameters and the grid-cell scale parameters were established by inverse simulations based on the mass balance equation and the averaging of the flow at the point scale. Results have shown numerical stability issues for particular conditions and have revealed the complex nature of the non-linear relationships between models' parameters at both scales and indicate that the parameterization of point scale processes at the coarser scale is governed by the amplification of non-linear effects. The findings of these simulations have been used by the students to identify potential research questions on scale issues. Moreover, the implementation of this virtual lab improved the ability to understand the rationale of these process and how to transfer the mathematical models to computational representations.

Evaluation of near surface ozone and particulate matter in air quality simulations driven by dynamically downscaled historical meteorological fields

EPA Science Inventory

In this study, techniques typically used for future air quality projections are applied to a historical 11-year period to assess the performance of the modeling system when the driving meteorological conditions are obtained using dynamical downscaling of coarse-scale fields witho...

Two-dimensional simulations of thermonuclear burn in ignition-scale inertial confinement fusion targets under compressed axial magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perkins, L. J.; Logan, B. G.; Zimmerman, G. B.

2013-07-15

We report for the first time on full 2-D radiation-hydrodynamic implosion simulations that explore the impact of highly compressed imposed magnetic fields on the ignition and burn of perturbed spherical implosions of ignition-scale cryogenic capsules. Using perturbations that highly convolute the cold fuel boundary of the hotspot and prevent ignition without applied fields, we impose initial axial seed fields of 20–100 T (potentially attainable using present experimental methods) that compress to greater than 4 × 10{sup 4} T (400 MG) under implosion, thereby relaxing hotspot areal densities and pressures required for ignition and propagating burn by ∼50%. The compressed fieldmore » is high enough to suppress transverse electron heat conduction, and to allow alphas to couple energy into the hotspot even when highly deformed by large low-mode amplitudes. This might permit the recovery of ignition, or at least significant alpha particle heating, in submarginal capsules that would otherwise fail because of adverse hydrodynamic instabilities.« less

Electric field induced microstructures in thin films on physicochemically heterogeneous and patterned substrates.

PubMed

Srivastava, Samanvaya; Reddy, P Dinesh Sankar; Wang, Cindy; Bandyopadhyay, Dipankar; Sharma, Ashutosh

2010-05-07

We study by nonlinear simulations the electric field induced pattern formation in a thin viscous film resting on a topographically or chemically patterned substrate. The thin film microstructures can be aligned to the substrate patterns within a window of parameters where the spinodal length scale of the field induced instability is close to the substrate periodicity. We investigate systematically the change in the film morphology and order when (i) the substrate pattern periodicity is varied at a constant film thickness and (ii) the film thickness is varied at a constant substrate periodicity. Simulations show two distinct pathway of evolution when the substrate-topography changes from protrusions to cavities. The isolated substrate defects generate locally ordered ripplelike structures distinct from the structures on a periodically patterned substrate. In the latter case, film morphology is governed by a competition between the pattern periodicity and the length scale of instability. Relating the thin film morphologies to the underlying substrate pattern has implications for field induced patterning and robustness of inter-interface pattern transfer, e.g., coding-decoding of information printed on a substrate.

Testing the gravitational instability hypothesis?

NASA Technical Reports Server (NTRS)

Babul, Arif; Weinberg, David H.; Dekel, Avishai; Ostriker, Jeremiah P.

1994-01-01

We challenge a widely accepted assumption of observational cosmology: that successful reconstruction of observed galaxy density fields from measured galaxy velocity fields (or vice versa), using the methods of gravitational instability theory, implies that the observed large-scale structures and large-scale flows were produced by the action of gravity. This assumption is false, in that there exist nongravitational theories that pass the reconstruction tests and gravitational theories with certain forms of biased galaxy formation that fail them. Gravitational instability theory predicts specific correlations between large-scale velocity and mass density fields, but the same correlations arise in any model where (a) structures in the galaxy distribution grow from homogeneous initial conditions in a way that satisfies the continuity equation, and (b) the present-day velocity field is irrotational and proportional to the time-averaged velocity field. We demonstrate these assertions using analytical arguments and N-body simulations. If large-scale structure is formed by gravitational instability, then the ratio of the galaxy density contrast to the divergence of the velocity field yields an estimate of the density parameter Omega (or, more generally, an estimate of beta identically equal to Omega(exp 0.6)/b, where b is an assumed constant of proportionality between galaxy and mass density fluctuations. In nongravitational scenarios, the values of Omega or beta estimated in this way may fail to represent the true cosmological values. However, even if nongravitational forces initiate and shape the growth of structure, gravitationally induced accelerations can dominate the velocity field at late times, long after the action of any nongravitational impulses. The estimated beta approaches the true value in such cases, and in our numerical simulations the estimated beta values are reasonably accurate for both gravitational and nongravitational models. Reconstruction tests that show correlations between galaxy density and velocity fields can rule out some physically interesting models of large-scale structure. In particular, successful reconstructions constrain the nature of any bias between the galaxy and mass distributions, since processes that modulate the efficiency of galaxy formation on large scales in a way that violates the continuity equation also produce a mismatch between the observed galaxy density and the density inferred from the peculiar velocity field. We obtain successful reconstructions for a gravitational model with peaks biasing, but we also show examples of gravitational and nongravitational models that fail reconstruction tests because of more complicated modulations of galaxy formation.

Amplitudes and Anisotropies at Kinetic Scales in Reflection-Driven Turbulence

NASA Astrophysics Data System (ADS)

Chandran, B. D. G.; Perez, J. C.

2016-12-01

The dissipation processes in solar-wind turbulence depend critically on the amplitudes and anisotropies of the fluctuations at kinetic scales. For example, the efficiencies of nonlinear dissipation mechanisms such as stochastic heating are a strongly increasing function of the kinetic-scale fluctuation amplitudes. In addition, ``slab-like'' fluctuations that vary most rapidly parallel to the background magnetic field dissipate very differently than ``quasi-2D'' fluctuations that vary most rapidly perpendicular to the magnetic field. Both the amplitudes and anisotropies of the kinetic-scale fluctuations are heavily influenced by the cascade mechanisms and spectral scalings in the inertial range of the turbulence. More precisely, the properties and dynamics of the turbulence within the inertial range (at ``fluid length scales'') to a large extent determine the amplitudes and anisotropies of the fluctuations at the proton kinetic scales, which bound the inertial range from below. In this presentation I will describe recent work by Jean Perez and myself on direct numerical simulations of non-compressive turbulence at ``fluid length scales'' between the Sun and a heliocentric distance of 65 solar radii. These simulations account for the non-WKB reflection of outward-propagating Alfven-wave-like fluctuations. This partial reflection produces Sunward-propagating fluctuations, which interact with the outward-propagating fluctuations to produce turbulence and a cascade of energy from large scales to small scales. I will discuss the relative strength of the parallel and perpendicular energy cascades in our simulations, and the implications of our results for the spatial anisotropies of non-compressive fluctuations at the proton kinetic scales near the Sun. I will also present results on the parallel and perpendicular power spectra of both outward-propagating and inward-propagating Alfven-wave-like fluctuations at different heliocentric distances. I will discuss the implications of these inertial-range spectra for the relative importance of cyclotron heating, stochastic heating, and Landau damping.

Simulating large-scale pedestrian movement using CA and event driven model: Methodology and case study

NASA Astrophysics Data System (ADS)

Li, Jun; Fu, Siyao; He, Haibo; Jia, Hongfei; Li, Yanzhong; Guo, Yi

2015-11-01

Large-scale regional evacuation is an important part of national security emergency response plan. Large commercial shopping area, as the typical service system, its emergency evacuation is one of the hot research topics. A systematic methodology based on Cellular Automata with the Dynamic Floor Field and event driven model has been proposed, and the methodology has been examined within context of a case study involving the evacuation within a commercial shopping mall. Pedestrians walking is based on Cellular Automata and event driven model. In this paper, the event driven model is adopted to simulate the pedestrian movement patterns, the simulation process is divided into normal situation and emergency evacuation. The model is composed of four layers: environment layer, customer layer, clerk layer and trajectory layer. For the simulation of movement route of pedestrians, the model takes into account purchase intention of customers and density of pedestrians. Based on evacuation model of Cellular Automata with Dynamic Floor Field and event driven model, we can reflect behavior characteristics of customers and clerks at the situations of normal and emergency evacuation. The distribution of individual evacuation time as a function of initial positions and the dynamics of the evacuation process is studied. Our results indicate that the evacuation model using the combination of Cellular Automata with Dynamic Floor Field and event driven scheduling can be used to simulate the evacuation of pedestrian flows in indoor areas with complicated surroundings and to investigate the layout of shopping mall.

Size effects of 109° domain walls in rhombohedral barium titanate single crystals—A molecular statics analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Endres, Florian, E-mail: florian.endres@ltm.uni-erlangen.de; Steinmann, Paul, E-mail: paul.steinmann@ltm.uni-erlangen.de

2016-01-14

Ferroelectric functional materials are of great interest in science and technology due to their electromechanically coupled material properties. Therefore, ferroelectrics, such as barium titanate, are modeled and simulated at the continuum scale as well as at the atomistic scale. Due to recent advancements in related manufacturing technologies the modeling and simulation of smart materials at the nanometer length scale is getting more important not only to predict but also fundamentally understand the complex material behavior of such materials. In this study, we analyze the size effects of 109° nanodomain walls in ferroelectric barium titanate single crystals in the rhombohedral phasemore » using a recently proposed extended molecular statics algorithm. We study the impact of domain thicknesses on the spontaneous polarization, the coercive field, and the lattice constants. Moreover, we discuss how the electromechanical coupling of an applied electric field and the introduced strain in the converse piezoelectric effect is affected by the thickness of nanodomains.« less

Comparison of Phase Field Crystal and Molecular Dynamics Simulations for a Shrinking Grain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radhakrishnan, Balasubramaniam; Gorti, Sarma B; Nicholson, Don M

2012-01-01

The Phase-Field Crystal (PFC) model represents the atomic density as a continuous function, whose spatial distribution evolves at diffusional, rather than vibrational time scales. PFC provides a tool to study defect interactions at the atomistic level but over longer time scales than in molecular dynamics (MD). We examine the behavior of the PFC model with the goal of relating the PFC parameters to physical parameters of real systems, derived from MD simulations. For this purpose we model the phenomenon of the shrinking of a spherical grain situated in a matrix. By comparing the rate of shrinking of the central grainmore » using MD and PFC we obtain a relationship between PFC and MD time scales for processes driven by grain boundary diffusion. The morphological changes in the central grain including grain shape and grain rotation are also examined in order to assess the accuracy of the PFC in capturing the evolution path predicted by MD.« less

Resolving the fine-scale structure in turbulent Rayleigh-Benard convection

NASA Astrophysics Data System (ADS)

Scheel, Janet; Emran, Mohammad; Schumacher, Joerg

2013-11-01

Results from high-resolution direct numerical simulations of turbulent Rayleigh-Benard convection in a cylindrical cell with an aspect ratio of one will be presented. We focus on the finest scales of convective turbulence, in particular the statistics of the kinetic energy and thermal dissipation rates in the bulk and the whole cell. These dissipation rates as well as the local dissipation scales are compared for different Rayleigh and Prandtl numbers. We also have investigated the convergence properties of our spectral element method and have found that both dissipation fields are very sensitive to insufficient resolution. We also demonstrate that global transport properties, such as the Nusselt number and the energy balances, are partly insensitive to insufficient resolution and yield consistent results even when the dissipation fields are under-resolved. Our present numerical framework is also compared with high-resolution simulations which use a finite difference method. For most of the compared quantities the agreement is found to be satisfactory.

Nudging and predictability in regional climate modelling: investigation in a nested quasi-geostrophic model

NASA Astrophysics Data System (ADS)

Omrani, Hiba; Drobinski, Philippe; Dubos, Thomas

2010-05-01

In this work, we consider the effect of indiscriminate and spectral nudging on the large and small scales of an idealized model simulation. The model is a two layer quasi-geostrophic model on the beta-plane driven at its boundaries by the « global » version with periodic boundary condition. This setup mimics the configuration used for regional climate modelling. The effect of large-scale nudging is studied by using the "perfect model" approach. Two sets of experiments are performed: (1) the effect of nudging is investigated with a « global » high resolution two layer quasi-geostrophic model driven by a low resolution two layer quasi-geostrophic model. (2) similar simulations are conducted with the two layer quasi-geostrophic Limited Area Model (LAM) where the size of the LAM domain comes into play in addition to the first set of simulations. The study shows that the indiscriminate nudging time that minimizes the error at both the large and small scales is reached for a nudging time close to the predictability time, for spectral nudging, the optimum nudging time should tend to zero since the best large scale dynamics is supposed to be given by the driving large-scale fields are generally given at much lower frequency than the model time step(e,g, 6-hourly analysis) with a basic interpolation between the fields, the optimum nudging time differs from zero, however remaining smaller than the predictability time.

FDTD simulation of field performance in reverberation chamber excited by two excitation antennas

NASA Astrophysics Data System (ADS)

Wang, Song; Wu, Zhan-cheng; Cui, Yao-zhong

2013-03-01

The excitation source is one of the critical items that determine the electromagnetic fields in a reverberation chamber (RC). In order to optimize the electromagnetic fields performance, a new method of exciting RC with two antennas is proposed based on theoretical analysis. The full 3D simulation of RC is carried out by the finite difference time domain (FDTD) method on two excitation conditions of one antenna and two antennas. The broadband response of RC is obtained by fast Fourier transformation (FFT) after only one simulation. Numerical data show that the field uniformity in the test space is improved on the condition of two transmitting antennas while the normalized electric fields decreased slightly compared to the one antenna condition. It is straightforward to recognize that two antennas excitation can reduce the demands on power amplifier as the total input power is split among the two antennas, and consequently the cost of electromagnetic compatibility (EMC) test in large-scale RC can be reduced.

Parameterization of backbone flexibility in a coarse-grained force field for proteins (COFFDROP) derived from all-atom explicit-solvent molecular dynamics simulations of all possible two-residue peptides

PubMed Central

Frembgen-Kesner, Tamara; Andrews, Casey T.; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A.; Jain, Aakash; Olayiwola, Oluwatoni; Weishaar, Mitch R.; Elcock, Adrian H.

2015-01-01

Recently, we reported the parameterization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs, and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downwards in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multi-domain proteins connected by flexible linkers. PMID:26574429

Use of Molecular Dynamics Data in Biochemistry Courses: An Amphipathy Scale to Determine Protein [alpha]-Helix Transmembrane Segments

ERIC Educational Resources Information Center

Mazze, Fernanda M.; Fuzo, Carlos A.; Degreve, Leo; Ciancaglini, Pietro

2008-01-01

The aim of this manuscript is to explain the application of an amphipathy scale obtained from molecular dynamics simulations and to demonstrate how it can be useful in the protein structure field. It is shown that this scale is easy to be used with the advantage of revealing domains of transmembrane [alpha]-helix of proteins without the need of…

Scaling of flow and transport behavior in heterogeneous groundwater systems

NASA Astrophysics Data System (ADS)

Scheibe, Timothy; Yabusaki, Steven

1998-11-01

Three-dimensional numerical simulations using a detailed synthetic hydraulic conductivity field developed from geological considerations provide insight into the scaling of subsurface flow and transport processes. Flow and advective transport in the highly resolved heterogeneous field were modeled using massively parallel computers, providing a realistic baseline for evaluation of the impacts of parameter scaling. Upscaling of hydraulic conductivity was performed at a variety of scales using a flexible power law averaging technique. A series of tests were performed to determine the effects of varying the scaling exponent on a number of metrics of flow and transport behavior. Flow and transport simulation on high-performance computers and three-dimensional scientific visualization combine to form a powerful tool for gaining insight into the behavior of complex heterogeneous systems. Many quantitative groundwater models utilize upscaled hydraulic conductivity parameters, either implicitly or explicitly. These parameters are designed to reproduce the bulk flow characteristics at the grid or field scale while not requiring detailed quantification of local-scale conductivity variations. An example from applied groundwater modeling is the common practice of calibrating grid-scale model hydraulic conductivity or transmissivity parameters so as to approximate observed hydraulic head and boundary flux values. Such parameterizations, perhaps with a bulk dispersivity imposed, are then sometimes used to predict transport of reactive or non-reactive solutes. However, this work demonstrates that those parameters that lead to the best upscaling for hydraulic conductivity and head do not necessarily correspond to the best upscaling for prediction of a variety of transport behaviors. This result reflects the fact that transport is strongly impacted by the existence and connectedness of extreme-valued hydraulic conductivities, in contrast to bulk flow which depends more strongly on mean values. It provides motivation for continued research into upscaling methods for transport that directly address advection in heterogeneous porous media. An electronic version of this article is available online at the journal's homepage at http://www.elsevier.nl/locate/advwatres or http://www.elsevier.com/locate/advwatres (see "Special section on vizualization". The online version contains additional supporting information, graphics, and a 3D animation of simulated particle movement. Limited. All rights reserved

Challenges of forest landscape modeling - simulating large landscapes and validating results

Treesearch

Hong S. He; Jian Yang; Stephen R. Shifley; Frank R. Thompson

2011-01-01

Over the last 20 years, we have seen a rapid development in the field of forest landscape modeling, fueled by both technological and theoretical advances. Two fundamental challenges have persisted since the inception of FLMs: (1) balancing realistic simulation of ecological processes at broad spatial and temporal scales with computing capacity, and (2) validating...

A Generalized Simple Formulation of Convective Adjustment ...

EPA Pesticide Factsheets

Convective adjustment timescale (τ) for cumulus clouds is one of the most influential parameters controlling parameterized convective precipitation in climate and weather simulation models at global and regional scales. Due to the complex nature of deep convection, a prescribed value or ad hoc representation of τ is used in most global and regional climate/weather models making it a tunable parameter and yet still resulting in uncertainties in convective precipitation simulations. In this work, a generalized simple formulation of τ for use in any convection parameterization for shallow and deep clouds is developed to reduce convective precipitation biases at different grid spacing. Unlike existing other methods, our new formulation can be used with field campaign measurements to estimate τ as demonstrated by using data from two different special field campaigns. Then, we implemented our formulation into a regional model (WRF) for testing and evaluation. Results indicate that our simple τ formulation can give realistic temporal and spatial variations of τ across continental U.S. as well as grid-scale and subgrid scale precipitation. We also found that as the grid spacing decreases (e.g., from 36 to 4-km grid spacing), grid-scale precipitation dominants over subgrid-scale precipitation. The generalized τ formulation works for various types of atmospheric conditions (e.g., continental clouds due to heating and large-scale forcing over la

Magnetic flux concentrations from turbulent stratified convection

NASA Astrophysics Data System (ADS)

Käpylä, P. J.; Brandenburg, A.; Kleeorin, N.; Käpylä, M. J.; Rogachevskii, I.

2016-04-01

Context. The formation of magnetic flux concentrations within the solar convection zone leading to sunspot formation is unexplained. Aims: We study the self-organization of initially uniform sub-equipartition magnetic fields by highly stratified turbulent convection. Methods: We perform simulations of magnetoconvection in Cartesian domains representing the uppermost 8.5-24 Mm of the solar convection zone with the horizontal size of the domain varying between 34 and 96 Mm. The density contrast in the 24 Mm deep models is more than 3 × 103 or eight density scale heights, corresponding to a little over 12 pressure scale heights. We impose either a vertical or a horizontal uniform magnetic field in a convection-driven turbulent flow in set-ups where no small-scale dynamos are present. In the most highly stratified cases we employ the reduced sound speed method to relax the time step constraint arising from the high sound speed in the deep layers. We model radiation via the diffusion approximation and neglect detailed radiative transfer in order to concentrate on purely magnetohydrodynamic effects. Results: We find that super-equipartition magnetic flux concentrations are formed near the surface in cases with moderate and high density stratification, corresponding to domain depths of 12.5 and 24 Mm. The size of the concentrations increases as the box size increases and the largest structures (20 Mm horizontally near the surface) are obtained in the models that are 24 Mm deep. The field strength in the concentrations is in the range of 3-5 kG, almost independent of the magnitude of the imposed field. The amplitude of the concentrations grows approximately linearly in time. The effective magnetic pressure measured in the simulations is positive near the surface and negative in the bulk of the convection zone. Its derivative with respect to the mean magnetic field, however, is positive in most of the domain, which is unfavourable for the operation of the negative effective magnetic pressure instability (NEMPI). Simulations in which a passive vector field is evolved do not show a noticeable difference from magnetohydrodynamic runs in terms of the growth of the structures. Furthermore, we find that magnetic flux is concentrated in regions of converging flow corresponding to large-scale supergranulation convection pattern. Conclusions: The linear growth of large-scale flux concentrations implies that their dominant formation process is a tangling of the large-scale field rather than an instability. One plausible mechanism that can explain both the linear growth and the concentration of the flux in the regions of converging flow pattern is flux expulsion. A possible reason for the absence of NEMPI is that the derivative of the effective magnetic pressure with respect to the mean magnetic field has an unfavourable sign. Furthermore, there may not be sufficient scale separation, which is required for NEMPI to work. Movies associated to Figs. 4 and 5 are available in electronic form at http://www.aanda.org

Scale dependence of halo bispectrum from non-Gaussian initial conditions in cosmological N-body simulations

NASA Astrophysics Data System (ADS)

Nishimichi, Takahiro; Taruya, Atsushi; Koyama, Kazuya; Sabiu, Cristiano

2010-07-01

We study the halo bispectrum from non-Gaussian initial conditions. Based on a set of large N-body simulations starting from initial density fields with local type non-Gaussianity, we find that the halo bispectrum exhibits a strong dependence on the shape and scale of Fourier space triangles near squeezed configurations at large scales. The amplitude of the halo bispectrum roughly scales as fNL2. The resultant scaling on the triangular shape is consistent with that predicted by Jeong & Komatsu based on perturbation theory. We systematically investigate this dependence with varying redshifts and halo mass thresholds. It is shown that the fNL dependence of the halo bispectrum is stronger for more massive haloes at higher redshifts. This feature can be a useful discriminator of inflation scenarios in future deep and wide galaxy redshift surveys.

WeaVR: a self-contained and wearable immersive virtual environment simulation system.

PubMed

Hodgson, Eric; Bachmann, Eric R; Vincent, David; Zmuda, Michael; Waller, David; Calusdian, James

2015-03-01

We describe WeaVR, a computer simulation system that takes virtual reality technology beyond specialized laboratories and research sites and makes it available in any open space, such as a gymnasium or a public park. Novel hardware and software systems enable HMD-based immersive virtual reality simulations to be conducted in any arbitrary location, with no external infrastructure and little-to-no setup or site preparation. The ability of the WeaVR system to provide realistic motion-tracked navigation for users, to improve the study of large-scale navigation, and to generate usable behavioral data is shown in three demonstrations. First, participants navigated through a full-scale virtual grocery store while physically situated in an open grass field. Trajectory data are presented for both normal tracking and for tracking during the use of redirected walking that constrained users to a predefined area. Second, users followed a straight path within a virtual world for distances of up to 2 km while walking naturally and being redirected to stay within the field, demonstrating the ability of the system to study large-scale navigation by simulating virtual worlds that are potentially unlimited in extent. Finally, the portability and pedagogical implications of this system were demonstrated by taking it to a regional high school for live use by a computer science class on their own school campus.

Effect of Delta Tabs on Free Jets from Complex Nozzles

NASA Technical Reports Server (NTRS)

Zaman, K. B. M. Q.

2001-01-01

Effects of 'delta-tabs' on the mixing and noise characteristics of two model-scale nozzles have been investigated experimentally. The two models are (1) an eight-lobed nozzle simulating the primary flow of a mixer-ejector configuration considered for the HSCT program, (2) an axisymmetric nozzle with a centerbody simulating the 'ACE' configuration also considered for the HSCT program. Details of the flow-field for model (1) are explored, while primarily the noise-field is explored for model (2). Effects of different tab configurations are documented.

NAS (Numerical Aerodynamic Simulation Program) technical summaries, March 1989 - February 1990

NASA Technical Reports Server (NTRS)

1990-01-01

Given here are selected scientific results from the Numerical Aerodynamic Simulation (NAS) Program's third year of operation. During this year, the scientific community was given access to a Cray-2 and a Cray Y-MP supercomputer. Topics covered include flow field analysis of fighter wing configurations, large-scale ocean modeling, the Space Shuttle flow field, advanced computational fluid dynamics (CFD) codes for rotary-wing airloads and performance prediction, turbulence modeling of separated flows, airloads and acoustics of rotorcraft, vortex-induced nonlinearities on submarines, and standing oblique detonation waves.

Initialization of soil-water content in regional-scale atmospheric prediction models

NASA Technical Reports Server (NTRS)

Smith, Christopher B.; Lakhtakia, Mercedes; Capehart, William J.; Carlson, Toby N.

1994-01-01

The purpose of this study is to demonstrate the feasibility of determining the soil-water content fields required as initial conditions for land surface components within atmospheric prediction models. This is done using a model of the hydrologic balance and conventional meteorological observations, land cover, and soils information. A discussion is presented of the subgrid-scale effects, the integration time, and the choice of vegetation type on the soil-water content patterns. Finally, comparisons are made between two The Pennsylvania State University/National Center for Atmospheric Research mesoscale model simulations, one using climatological fields and the other one using the soil-moisture fields produced by this new method.

The structure and statistics of interstellar turbulence

NASA Astrophysics Data System (ADS)

Kritsuk, A. G.; Ustyugov, S. D.; Norman, M. L.

2017-06-01

We explore the structure and statistics of multiphase, magnetized ISM turbulence in the local Milky Way by means of driven periodic box numerical MHD simulations. Using the higher order-accurate piecewise-parabolic method on a local stencil (PPML), we carry out a small parameter survey varying the mean magnetic field strength and density while fixing the rms velocity to observed values. We quantify numerous characteristics of the transient and steady-state turbulence, including its thermodynamics and phase structure, kinetic and magnetic energy power spectra, structure functions, and distribution functions of density, column density, pressure, and magnetic field strength. The simulations reproduce many observables of the local ISM, including molecular clouds, such as the ratio of turbulent to mean magnetic field at 100 pc scale, the mass and volume fractions of thermally stable Hi, the lognormal distribution of column densities, the mass-weighted distribution of thermal pressure, and the linewidth-size relationship for molecular clouds. Our models predict the shape of magnetic field probability density functions (PDFs), which are strongly non-Gaussian, and the relative alignment of magnetic field and density structures. Finally, our models show how the observed low rates of star formation per free-fall time are controlled by the multiphase thermodynamics and large-scale turbulence.

Effects of electric field on micro-scale flame properties of biobutanol fuel

PubMed Central

Xu, Tao; Chen, Qinglin; Zhang, Bingjian; Lu, Shushen; Mo, Dongchuan; Zhang, Zhengguo; Gao, Xuenong

2016-01-01

With the increasing need of smaller power sources for satellites, energy systems and engine equipment, microcombustion pose a potential as alternative power source to conventional batteries. As the substitute fuel source for gasoline, biobutanol shows more promising characteristics than ethanol. In this study, the diffusion microflame of liquid biobutanol under electric field have been examined through in-lab experiment and numerical simulation. It is found that traditional gas jet diffusion flame theory shows significant inconsistency with the experimental results of micro scale flame in electric field. The results suggest that with the increase of electric field intensity, the quenching flow rate decrease first and increase after it reach its minimum, while the flame height and highest flame temperature increase first and drop after its peak value. In addition, it was also observed that the flame height and highest temperature for smaller tube can reach its maximum faster. Therefore, the interaction between microscale effect and electric field plays a significant role on understanding the microcombustion of liquid fuel. Therefore, FLUENT simulation was adopted to understand and measure the impacts of microflame characteristic parameters. The final numerical results are consistent with the experimental data and show a high reliability. PMID:27609428

AFT: Extending Solar Cycle Prediction with Data Assimilation

NASA Astrophysics Data System (ADS)

Upton, L.; Hathaway, D. H.

2017-12-01

The Advective Flux Transport (AFT) model is an innovative surface flux transport model that simulates the evolution of the radial magnetic field on the surface of the Sun. AFT was designed to be as realistic as possible by 1: incorporating the observed surface flows (meridional flow, differential rotation, and an explicit evolving convective pattern) and by 2: using data assimilation to incorporate the observed magnetic fields directly from line-of-sight (LOS) magnetograms. AFT has proven to be successful in simulating the evolution of the surface magnetic fields on both short time scales (days-weeks) as well as for long time scales (years). In particular, AFT has been shown to accurately predict the evolution of the Sun's dipolar magnetic field 3-5 years in advance. Since the Sun's polar magnetic field strength at solar cycle minimum is the best indicator of the amplitude of the next cycle, this has in turn extended our ability to make solar cycle predictions to 3-5 years before solar minimum occurs. Here, we will discuss some of the challenges of implementing data assimilation into AFT. We will also discuss the role of data assimilation in advancing solar cycle predictive capability.

Large-eddy simulation of the urban boundary layer in the MEGAPOLI Paris Plume experiment

NASA Astrophysics Data System (ADS)

Esau, Igor

2010-05-01

This study presents results from the specific large-eddy simulation study of the urban boundary layer in the MEGAPOLI Paris Plume field campaign. We used LESNIC and PALM codes, MEGAPOLI city morphology database, nudging to the observed meteorological conditions during the Paris Plume campaign and some concentration measurements from that campaign to simulate and better understand the nature of the urban boundary layer on scales larger then the street canyon scales. The primary attention was paid to turbulence self-organization and structure-to-surface interaction. The study has been aimed to demonstrate feasibility and estimate required resources for such research. Therefore, at this stage we do not compare the simulation with other relevant studies as well as we do not formulate the theoretical conclusions.

Simulating and mapping spatial complexity using multi-scale techniques

USGS Publications Warehouse

De Cola, L.

1994-01-01

A central problem in spatial analysis is the mapping of data for complex spatial fields using relatively simple data structures, such as those of a conventional GIS. This complexity can be measured using such indices as multi-scale variance, which reflects spatial autocorrelation, and multi-fractal dimension, which characterizes the values of fields. These indices are computed for three spatial processes: Gaussian noise, a simple mathematical function, and data for a random walk. Fractal analysis is then used to produce a vegetation map of the central region of California based on a satellite image. This analysis suggests that real world data lie on a continuum between the simple and the random, and that a major GIS challenge is the scientific representation and understanding of rapidly changing multi-scale fields. -Author

Potential, velocity, and density fields from sparse and noisy redshift-distance samples - Method

NASA Technical Reports Server (NTRS)

Dekel, Avishai; Bertschinger, Edmund; Faber, Sandra M.

1990-01-01

A method for recovering the three-dimensional potential, velocity, and density fields from large-scale redshift-distance samples is described. Galaxies are taken as tracers of the velocity field, not of the mass. The density field and the initial conditions are calculated using an iterative procedure that applies the no-vorticity assumption at an initial time and uses the Zel'dovich approximation to relate initial and final positions of particles on a grid. The method is tested using a cosmological N-body simulation 'observed' at the positions of real galaxies in a redshift-distance sample, taking into account their distance measurement errors. Malmquist bias and other systematic and statistical errors are extensively explored using both analytical techniques and Monte Carlo simulations.

Scaling Laws for NanoFET Sensors

NASA Astrophysics Data System (ADS)

Wei, Qi-Huo; Zhou, Fu-Shan

2008-03-01

In this paper, we report our numerical studies of the scaling laws for nanoplate field-effect transistor (FET) sensors by simplifying the nanoplates as random resistor networks. Nanowire/tube FETs are included as the limiting cases where the device width goes small. Computer simulations show that the field effect strength exerted by the binding molecules has significant impact on the scaling behaviors. When the field effect strength is small, nanoFETs have little size and shape dependence. In contrast, when the field-effect strength becomes stronger, there exists a lower detection threshold for charge accumulation FETs and an upper detection threshold for charge depletion FET sensors. At these thresholds, the nanoFET devices undergo a transition between low and large sensitivities. These thresholds may set the detection limits of nanoFET sensors. We propose to eliminate these detection thresholds by employing devices with very short source-drain distance and large width.

Numerical simulation of the compressible Orszag-Tang vortex. Interim report, June 1988-February 1989

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahlburg, R.B.; Picone, J.M.

Results of fully compressible, Fourier collocation, numerical simulations of the Orszag-Tang vortex system are presented. Initial conditions consist of a nonrandom, periodic field in which the magnetic and velocity fields contain X-points but differ in modal structure along one spatial direction. The velocity field is initially solenoidal, with the total initial pressure-field consisting of the superposition of the appropriate incompressible pressure distribution upon a flat pressure field corresponding to the initial, average flow Mach number of the flow. In the numerical simulations, this initial Mach number is varied from 0.2 to 0.6. These values correspond to average plasma beta valuesmore » ranging from 30.0 to 3.3, respectively. Compressible effects develop within one or two Alfven transit times, as manifested in the spectra of compressible quantities such as mass density and nonsolenoidal flow field. These effects include (1) retardation of growth of correlation between the magnetic field and the velocity field, (2) emergence of compressible small-scale structure such as massive jets, and (3) bifurcation of eddies in the compressible-flow field. Differences between the incompressible and compressible results tend to increase with increasing initial average Mach number.« less

Estimation of potential loss of two pesticides in runoff in Fillmore County, Minnesota using a field-scale process-based model and a geographic information system

USGS Publications Warehouse

Capel, P.D.; Zhang, H.

2000-01-01

In assessing the occurrence, behavior, and effects of agricultural chemicals in surface water, the scales of study (i.e., watershed, county, state, and regional areas) are usually much larger than the scale of agricultural fields, where much of the understanding of processes has been developed. Field-scale areas are characterized by relatively homogeneous conditions. The combination of process-based simulation models and geographic information system technology can be used to help extend our understanding of field processes to water-quality concerns at larger scales. To demonstrate this, the model "Groundwater Loading Effects of Agricultural Management Systems" was used to estimate the potential loss of two pesticides (atrazine and permethrin) in runoff to surface water in Fillmore County in southeastern Minnesota. The county was divided into field-scale areas on the basis of a 100 m by 100 m grid, and the influences of soil type and surface topography on the potential losses of the two pesticides in runoff was evaluated for each individual grid cell. The results could be used for guidance for agricultural management and regulatory decisions, for planning environmental monitoring programs, and as an educational tool for the public.

Large- to small-scale dynamo in domains of large aspect ratio: kinematic regime

NASA Astrophysics Data System (ADS)

Shumaylova, Valeria; Teed, Robert J.; Proctor, Michael R. E.

2017-04-01

The Sun's magnetic field exhibits coherence in space and time on much larger scales than the turbulent convection that ultimately powers the dynamo. In this work, we look for numerical evidence of a large-scale magnetic field as the magnetic Reynolds number, Rm, is increased. The investigation is based on the simulations of the induction equation in elongated periodic boxes. The imposed flows considered are the standard ABC flow (named after Arnold, Beltrami & Childress) with wavenumber ku = 1 (small-scale) and a modulated ABC flow with wavenumbers ku = m, 1, 1 ± m, where m is the wavenumber corresponding to the long-wavelength perturbation on the scale of the box. The critical magnetic Reynolds number R_m^{crit} decreases as the permitted scale separation in the system increases, such that R_m^{crit} ∝ [L_x/L_z]^{-1/2}. The results show that the α-effect derived from the mean-field theory ansatz is valid for a small range of Rm after which small scale dynamo instability occurs and the mean-field approximation is no longer valid. The transition from large- to small-scale dynamo is smooth and takes place in two stages: a fast transition into a predominantly small-scale magnetic energy state and a slower transition into even smaller scales. In the range of Rm considered, the most energetic Fourier component corresponding to the structure in the long x-direction has twice the length-scale of the forcing scale. The long-wavelength perturbation imposed on the ABC flow in the modulated case is not preserved in the eigenmodes of the magnetic field.

Computational studies of suppression of microwave gas breakdown by crossed dc magnetic field using electron fluid model

NASA Astrophysics Data System (ADS)

Zhao, Pengcheng; Guo, Lixin; Shu, Panpan

2016-08-01

The gas breakdown induced by a square microwave pulse with a crossed dc magnetic field is investigated using the electron fluid model, in which the accurate electron energy distribution functions are adopted. Simulation results show that at low gas pressures the dc magnetic field of a few tenths of a tesla can prolong the breakdown formation time by reducing the mean electron energy. With the gas pressure increasing, the higher dc magnetic field is required to suppress the microwave breakdown. The electric field along the microwave propagation direction generated due to the motion of electrons obviously increases with the dc magnetic field, but it is much less than the incident electric field. The breakdown predictions of the electron fluid model agree very well with the particle-in-cell-Monte Carlo collision simulations as well as the scaling law for the microwave gas breakdown.

Multifractal characterisation of a simulated surface flow: A case study with Multi-Hydro in Jouy-en-Josas, France

NASA Astrophysics Data System (ADS)

Gires, Auguste; Abbes, Jean-Baptiste; da Silva Rocha Paz, Igor; Tchiguirinskaia, Ioulia; Schertzer, Daniel

2018-03-01

In this paper we suggest to innovatively use scaling laws and more specifically Universal Multifractals (UM) to analyse simulated surface runoff and compare the retrieved scaling features with the rainfall ones. The methodology is tested on a 3 km2 semi-urbanised with a steep slope study area located in the Paris area along the Bièvre River. First Multi-Hydro, a fully distributed model is validated on this catchment for four rainfall events measured with the help of a C-band radar. The uncertainty associated with small scale unmeasured rainfall, i.e. occurring below the 1 km × 1 km × 5 min observation scale, is quantified with the help of stochastic downscaled rainfall fields. It is rather significant for simulated flow and more limited on overland water depth for these rainfall events. Overland depth is found to exhibit a scaling behaviour over small scales (10 m-80 m) which can be related to fractal features of the sewer network. No direct and obvious dependency between the overland depth multifractal features (quality of the scaling and UM parameters) and the rainfall ones was found.

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

PubMed Central

2015-01-01

We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed through a generational learning approach, based on gas-phase MP2/cc-pVTZ single-point energies computed of structures optimized by the force field itself rather than the quantum benchmark. In this manner, we sacrifice information about the true quantum minima in order to ensure that the force field maintains optimal agreement with the MP2/cc-pVTZ benchmark for the ensembles it will actually produce in simulations. A means of making the gas-phase torsion parameters compatible with solution-phase IPolQ charges is presented. The ff14ipq model is an alternative to ff99SB and other Amber force fields for protein simulations in programs that accommodate pair-specific Lennard–Jones combining rules. The force field gives strong performance on α-helical and β-sheet oligopeptides as well as globular proteins over microsecond time scale simulations, although it has not yet been tested in conjunction with lipid and nucleic acid models. We show how our choices in parameter development influence the resulting force field and how other choices that may have appeared reasonable would actually have led to poorer results. The tools we developed may also aid in the development of future fixed-charge and even polarizable biomolecular force fields. PMID:25328495

Toward a better integration of roughness in rockfall simulations - a sensitivity study with the RockyFor3D model

NASA Astrophysics Data System (ADS)

Monnet, Jean-Matthieu; Bourrier, Franck; Milenkovic, Milutin

2017-04-01

Advances in numerical simulation and analysis of real-size field experiments have supported the development of process-based rockfall simulation models. Availability of high resolution remote sensing data and high-performance computing now make it possible to implement them for operational applications, e.g. risk zoning and protection structure design. One key parameter regarding rock propagation is the surface roughness, sometimes defined as the variation in height perpendicular to the slope (Pfeiffer and Bowen, 1989). Roughness-related input parameters for rockfall models are usually determined by experts on the field. In the RockyFor3D model (Dorren, 2015), three values related to the distribution of obstacles (deposited rocks, stumps, fallen trees,... as seen from the incoming rock) relatively to the average slope are estimated. The use of high resolution digital terrain models (DTMs) questions both the scale usually adopted by experts for roughness assessment and the relevance of modeling hypotheses regarding the rock / ground interaction. Indeed, experts interpret the surrounding terrain as obstacles or ground depending on the overall visibility and on the nature of objects. Digital models represent the terrain with a certain amount of smoothing, depending on the sensor capacities. Besides, the rock rebound on the ground is modeled by changes in the velocities of the gravity center of the block due to impact. Thus, the use of a DTM with resolution smaller than the block size might have little relevance while increasing computational burden. The objective of this work is to investigate the issue of scale relevance with simulations based on RockyFor3D in order to derive guidelines for roughness estimation by field experts. First a sensitivity analysis is performed to identify the combinations of parameters (slope, soil roughness parameter, rock size) where the roughness values have a critical effect on rock propagation on a regular hillside. Second, a more complex hillside is simulated by combining three components: a) a global trend (planar surface), b) local systematic components (sine waves), c) random roughness (Gaussian, zero-mean noise). The parameters for simulating these components are estimated for three typical scenarios of rockfall terrains: soft soil, fine scree and coarse scree, based on expert knowledge and available airborne and terrestrial laser scanning data. For each scenario, the reference terrain is created and used to compute input data for RockyFor3D simulations at different scales, i.e. DTMs with resolutions from 0.5 m to 20 m and associated roughness parameters. Subsequent analysis mainly focuses on the sensitivity of simulations both in terms of run-out envelope and kinetic energy distribution. Guidelines drawn from the results are expected to help experts handle the scale issue while integrating remote sensing data and field measurements of roughness in rockfall simulations.