Direct simulations of chemically reacting turbulent mixing layers

NASA Technical Reports Server (NTRS)

Riley, J. J.; Metcalfe, R. W.

1984-01-01

The report presents the results of direct numerical simulations of chemically reacting turbulent mixing layers. The work consists of two parts: (1) the development and testing of a spectral numerical computer code that treats the diffusion reaction equations; and (2) the simulation of a series of cases of chemical reactions occurring on mixing layers. The reaction considered is a binary, irreversible reaction with no heat release. The reacting species are nonpremixed. The results of the numerical tests indicate that the high accuracy of the spectral methods observed for rigid body rotation are also obtained when diffusion, reaction, and more complex flows are considered. In the simulations, the effects of vortex rollup and smaller scale turbulence on the overall reaction rates are investigated. The simulation results are found to be in approximate agreement with similarity theory. Comparisons of simulation results with certain modeling hypotheses indicate limitations in these hypotheses. The nondimensional product thickness computed from the simulations is compared with laboratory values and is found to be in reasonable agreement, especially since there are no adjustable constants in the method.

Simulation of a complete X-ray digital radiographic system for industrial applications.

PubMed

Nazemi, E; Rokrok, B; Movafeghi, A; Choopan Dastjerdi, M H

2018-05-19

Simulating X-ray images is of great importance in industry and medicine. Using such simulation permits us to optimize parameters which affect image's quality without the limitations of an experimental procedure. This study revolves around a novel methodology to simulate a complete industrial X-ray digital radiographic system composed of an X-ray tube and a computed radiography (CR) image plate using Monte Carlo N Particle eXtended (MCNPX) code. In the process of our research, an industrial X-ray tube with maximum voltage of 300 kV and current of 5 mA was simulated. A 3-layer uniform plate including a polymer overcoat layer, a phosphor layer and a polycarbonate backing layer was also defined and simulated as the CR imaging plate. To model the image formation in the image plate, at first the absorbed dose was calculated in each pixel inside the phosphor layer of CR imaging plate using the mesh tally in MCNPX code and then was converted to gray value using a mathematical relationship determined in a separate procedure. To validate the simulation results, an experimental setup was designed and the images of two step wedges created out of aluminum and steel were captured by the experiments and compared with the simulations. The results show that the simulated images are in good agreement with the experimental ones demonstrating the ability of the proposed methodology for simulating an industrial X-ray imaging system. Copyright © 2018 Elsevier Ltd. All rights reserved.

The effect of bioadhesive on the interfacial compatibility and pervaporation performance of composite membranes by MD and GCMC simulation.

PubMed

Wang, Baohe; Nie, Yan; Ma, Jing

2018-03-01

Combing molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulation, the effect of bioadhesive transition layer on the interfacial compatibility of the pervaporation composite membranes, and the pervaporation performance toward penetrant molecules were investigated. In our previous experimental study, the structural stability and permeability selectivity of the composite membranes were considerably enhanced by the introduction of bioadhesive carbopol (CP). In the present study, the interfacial compatibility and the interfacial energies between the chitosan (CS) separation layer, CP transition layer and the support layer were investigated, respectively. The mobility of polymer chains, free volume in bulk and interface regions were evaluated by the mean-square displacement (MSD) and free volume voids (FFV) analysis. The diffusion and sorption behavior of water/ethanol molecules in bulk and interface regions were characterized. The simulation results of membrane structure have good consistency, indicating that the introduction of CP transition layer improved the interfacial compatibility and interaction between the separation layer and the support layer. Comparing the bulk region of the separation layer, the mobility and free volume of the polymer chain in the interface region decreased and thus reduced the swelling of CS active layer, revealing the increased diffusion selectivity toward the permeated water and ethanol molecules. The strong hydrogen bonds interaction between the COOH of the CP transition layer and water molecules increased the adsorption of water molecules in the interface region. The simulation results were quite consistent with the experimental results. Copyright © 2018 Elsevier Inc. All rights reserved.

Sensitivity of Historical Simulation of the Permafrost to Different Atmospheric Forcing Data Sets from 1979 to 2009

NASA Astrophysics Data System (ADS)

Guo, Donglin; Wang, Huijun; Wang, Aihui

2017-11-01

Numerical simulation is of great importance to the investigation of changes in frozen ground on large spatial and long temporal scales. Previous studies have focused on the impacts of improvements in the model for the simulation of frozen ground. Here the sensitivities of permafrost simulation to different atmospheric forcing data sets are examined using the Community Land Model, version 4.5 (CLM4.5), in combination with three sets of newly developed and reanalysis-based atmospheric forcing data sets (NOAA Climate Forecast System Reanalysis (CFSR), European Centre for Medium-Range Weather Forecasts Re-Analysis Interim (ERA-I), and NASA Modern Era Retrospective-Analysis for Research and Applications (MERRA)). All three simulations were run from 1979 to 2009 at a resolution of 0.5° × 0.5° and validated with what is considered to be the best available permafrost observations (soil temperature, active layer thickness, and permafrost extent). Results show that the use of reanalysis-based atmospheric forcing data set reproduces the variations in soil temperature and active layer thickness but produces evident biases in their climatologies. Overall, the simulations based on the CFSR and ERA-I data sets give more reasonable results than the simulation based on the MERRA data set, particularly for the present-day permafrost extent and the change in active layer thickness. The three simulations produce ranges for the present-day climatology (permafrost area: 11.31-13.57 × 106 km2; active layer thickness: 1.10-1.26 m) and for recent changes (permafrost area: -5.8% to -9.0%; active layer thickness: 9.9%-20.2%). The differences in air temperature increase, snow depth, and permafrost thermal conditions in these simulations contribute to the differences in simulated results.

Effects of resolved boundary layer turbulence on near-ground rotation in simulated quasi-linear convective systems (QLCSs)

NASA Astrophysics Data System (ADS)

Nowotarski, C. J.

2017-12-01

Though most strong to violent tornadoes are associated with supercell thunderstorms, quasi-linear convective systems (QLCSs) pose a risk of tornadoes, often at times and locations where supercell tornadoes are less common. Because QLCS low-level mesocyclones and tornado signatures tend to be less coherent, forecasting such tornadoes remains particularly difficult. The majority of simulations of such storms rely on horizontally homogeneous base states lacking resolved boundary layer turbulence and surface fluxes. Previous work has suggested that heterogeneities associated with boundary layer turbulence in the form of horizontal convective rolls can influence the evolution and characteristics of low-level mesocyclones in supercell thunderstorms. This study extends methods for generating boundary layer convection to idealized simulations of QLCSs. QLCS simulations with resolved boundary layer turbulence will be compared against a control simulation with a laminar boundary layer. Effects of turbulence, the resultant heterogeneity in the near-storm environment, and surface friction on bulk storm characteristics and the intensity, morphology, and evolution of low-level rotation will be presented. Although maximum surface vertical vorticity values are similar, when boundary layer turbulence is included, a greater number of miso- and meso-scale vortices develop along the QLCS gust front. The source of this vorticity is analyzed using Eulerian decomposition of vorticity tendency terms and trajectory analysis to delineate the relative importance of surface friction and baroclinicity in generating QLCS vortices. The role of anvil shading in suppressing boundary layer turbulence in the near-storm environment and subsequent effects on QLCS vortices will also be presented. Finally, implications of the results regarding inclusion of more realistic boundary layers in future idealized simulations of deep convection will be discussed.

Four dimensional data assimilation (FDDA) impacts on WRF performance in simulating inversion layer structure and distributions of CMAQ-simulated winter ozone concentrations in Uintah Basin

NASA Astrophysics Data System (ADS)

Tran, Trang; Tran, Huy; Mansfield, Marc; Lyman, Seth; Crosman, Erik

2018-03-01

Four-dimensional data assimilation (FDDA) was applied in WRF-CMAQ model sensitivity tests to study the impact of observational and analysis nudging on model performance in simulating inversion layers and O3 concentration distributions within the Uintah Basin, Utah, U.S.A. in winter 2013. Observational nudging substantially improved WRF model performance in simulating surface wind fields, correcting a 10 °C warm surface temperature bias, correcting overestimation of the planetary boundary layer height (PBLH) and correcting underestimation of inversion strengths produced by regular WRF model physics without nudging. However, the combined effects of poor performance of WRF meteorological model physical parameterization schemes in simulating low clouds, and warm and moist biases in the temperature and moisture initialization and subsequent simulation fields, likely amplified the overestimation of warm clouds during inversion days when observational nudging was applied, impacting the resulting O3 photochemical formation in the chemistry model. To reduce the impact of a moist bias in the simulations on warm cloud formation, nudging with the analysis water mixing ratio above the planetary boundary layer (PBL) was applied. However, due to poor analysis vertical temperature profiles, applying analysis nudging also increased the errors in the modeled inversion layer vertical structure compared to observational nudging. Combining both observational and analysis nudging methods resulted in unrealistically extreme stratified stability that trapped pollutants at the lowest elevations at the center of the Uintah Basin and yielded the worst WRF performance in simulating inversion layer structure among the four sensitivity tests. The results of this study illustrate the importance of carefully considering the representativeness and quality of the observational and model analysis data sets when applying nudging techniques within stable PBLs, and the need to evaluate model results on a basin-wide scale.

Cislan-2 extension final document by University of Twente (Netherlands)

NASA Astrophysics Data System (ADS)

Niemegeers, Ignas; Baumann, Frank; Beuwer, Wim; Jordense, Marcel; Pras, Aiko; Schutte, Leon; Tracey, Ian

1992-01-01

Results of worked performed under the so called Cislan extension contract are presented. The adaptation of the Cislan 2 prototype design to an environment of interconnected Local Area Networks (LAN's) instead of a single 802.5 token ring LAN is considered. In order to extend the network architecture, the Interconnection Function (IF) protocol layer was subdivided into two protocol layers: a new IF layer, and below the Medium Enhancement (ME) protocol layer. Some small enhancements to the distributed bandwidth allocation protocol were developed, which in fact are also applicable to the 'normal' Cislan 2 system. The new services and protocols are described together with some scenarios and requirements for the new internetting Cislan 2 system. How to overcome the degradation of the quality of speech due to packet loss on the LAN subsystem was studied. Experiments were planned in order to measure this speech quality degradation. Simulations were performed of two Cislan subsystems, the bandwidth allocation protocol and the clock synchronization mechanism. Results on both simulations, performed on SUN workstations using QNAP as a simulation tool, are given. Results of the simulations of the clock synchronization mechanism, and results of the simulation of the distributed bandwidth allocation protocol are given.

Large Eddy Simulations of a Bottom Boundary Layer Under a Shallow Geostrophic Front

NASA Astrophysics Data System (ADS)

Bateman, S. P.; Simeonov, J.; Calantoni, J.

2017-12-01

The unstratified surf zone and the stratified shelf waters are often separated by dynamic fronts that can strongly impact the character of the Ekman bottom boundary layer. Here, we use large eddy simulations to study the turbulent bottom boundary layer associated with a geostrophic current on a stratified shelf of uniform depth. The simulations are initialized with a spatially uniform vertical shear that is in geostrophic balance with a pressure gradient due to a linear horizontal temperature variation. Superposed on the temperature front is a stable vertical temperature gradient. As turbulence develops near the bottom, the turbulence-induced mixing gradually erodes the initial uniform temperature stratification and a well-mixed layer grows in height until the turbulence becomes fully developed. The simulations provide the spatial distribution of the turbulent dissipation and the Reynolds stresses in the fully developed boundary layer. We vary the initial linear stratification and investigate its effect on the height of the bottom boundary layer and the turbulence statistics. The results are compared to previous models and simulations of stratified bottom Ekman layers.

Discrete element simulation of charging and mixed layer formation in the ironmaking blast furnace

NASA Astrophysics Data System (ADS)

Mitra, Tamoghna; Saxén, Henrik

2016-11-01

The burden distribution in the ironmaking blast furnace plays an important role for the operation as it affects the gas flow distribution, heat and mass transfer, and chemical reactions in the shaft. This work studies certain aspects of burden distribution by small-scale experiments and numerical simulation by the discrete element method (DEM). Particular attention is focused on the complex layer-formation process and the problems associated with estimating the burden layer distribution by burden profile measurements. The formation of mixed layers is studied, and a computational method for estimating the extent of the mixed layer, as well as its voidage, is proposed and applied on the results of the DEM simulations. In studying a charging program and its resulting burden distribution, the mixed layers of coke and pellets were found to show lower voidage than the individual burden layers. The dynamic evolution of the mixed layer during the charging process is also analyzed. The results of the study can be used to gain deeper insight into the complex charging process of the blast furnace, which is useful in the design of new charging programs and for mathematical models that do not consider the full behavior of the particles in the burden layers.

Numerical simulation of the non-Newtonian mixing layer

NASA Technical Reports Server (NTRS)

Azaiez, Jalel; Homsy, G. M.

1993-01-01

This work is a continuing effort to advance our understanding of the effects of polymer additives on the structures of the mixing layer. In anticipation of full nonlinear simulations of the non-Newtonian mixing layer, we examined in a first stage the linear stability of the non-Newtonian mixing layer. The results of this study show that, for a fluid described by the Oldroyd-B model, viscoelasticity reduces the instability of the inviscid mixing layer in a special limit where the ratio (We/Re) is of order 1 where We is the Weissenberg number, a measure of the elasticity of the flow, and Re is the Reynolds number. In the present study, we pursue this project with numerical simulations of the non-Newtonian mixing layer. Our primary objective is to determine the effects of viscoelasticity on the roll-up structure. We also examine the origin of the numerical instabilities usually encountered in the simulations of non-Newtonian fluids.

Numerical Simulation of Transport Phenomena for a Double-Layer Laser Powder Deposition of Single-Crystal Superalloy

NASA Astrophysics Data System (ADS)

Liu, Zhaoyang; Qi, Huan

2014-04-01

A turbine blade made of single-crystal superalloys has been commonly used in gas turbine and aero engines. As an effective repair technology, laser powder deposition has been implemented to restore the worn turbine blade tips with a near-net shape capability and highly controllable solidified microstructure. Successful blade repair technology for single-crystal alloys requires a continuous epitaxial grain growth in the same direction of the crystalline orientation of the substrate material to the newly deposited layers. This work presents a three-dimensional numerical model to simulate the transport phenomena for a multilayer coaxial laser powder deposition process. Nickel-based single-crystal superalloy Rene N5 powder is deposited on a directional solidified substrate made of nickel-based directional-solidified alloy GTD 111 to verify the simulation results. The effects of processing parameters including laser power, scanning speed, and powder feeding rate on the resultant temperature field, fluid velocity field, molten pool geometric sizes, and the successive layer remelting ratios are studied. Numerical simulation results show that the maximum temperature of molten pool increases over layers due to the reduced heat dissipation capacity of the deposited geometry, which results in an increased molten pool size and fluid flow velocity at the successive deposited layer. The deposited bead geometry agrees well between the simulation and the experimental results. A large part of the first deposition layer, up to 85 pct of bead height, can be remelted during the deposition of the second layer. The increase of scanning speed decreases the ratio of G/ V (temperature gradient/solidification velocity), leading to an increased height ratio of the misoriented grain near the top surface of the previous deposited layer. It is shown that the processing parameters used in the simulation and experiment can produce a remelting ratio R larger than the misoriented grain height ratio S, which enables remelting of all the misoriented grains and guarantees a continuous growth of the substrate directional-solidified crystalline orientation during the multilayer deposition of single-crystal alloys.

Simulation of Sweep-Jet Flow Control, Single Jet and Full Vertical Tail

NASA Technical Reports Server (NTRS)

Childs, Robert E.; Stremel, Paul M.; Garcia, Joseph A.; Heineck, James T.; Kushner, Laura K.; Storms, Bruce L.

2016-01-01

This work is a simulation technology demonstrator, of sweep jet flow control used to suppress boundary layer separation and increase the maximum achievable load coefficients. A sweep jet is a discrete Coanda jet that oscillates in the plane parallel to an aerodynamic surface. It injects mass and momentum in the approximate streamwise direction. It also generates turbulent eddies at the oscillation frequency, which are typically large relative to the scales of boundary layer turbulence, and which augment mixing across the boundary layer to attack flow separation. Simulations of a fluidic oscillator, the sweep jet emerging from a nozzle downstream of the oscillator, and an array of sweep jets which suppresses boundary layer separation are performed. Simulation results are compared to data from a dedicated validation experiment of a single oscillator and its sweep jet, and from a wind tunnel test of a full-scale Boeing 757 vertical tail augmented with an array of sweep jets. A critical step in the work is the development of realistic time-dependent sweep jet inflow boundary conditions, derived from the results of the single-oscillator simulations, which create the sweep jets in the full-tail simulations. Simulations were performed using the computational fluid dynamics (CFD) solver Overow, with high-order spatial discretization and a range of turbulence modeling. Good results were obtained for all flows simulated, when suitable turbulence modeling was used.

Hairpin vortices in turbulent boundary layers

NASA Astrophysics Data System (ADS)

Eitel-Amor, G.; Örlü, R.; Schlatter, P.; Flores, O.

2015-02-01

The present work presents a number of parallel and spatially developing simulations of boundary layers to address the question of whether hairpin vortices are a dominant feature of near-wall turbulence, and which role they play during transition. In the first part, the parent-offspring regeneration mechanism is investigated in parallel (temporal) simulations of a single hairpin vortex introduced in a mean shear flow corresponding to either turbulent channels or boundary layers (Reτ ≲ 590). The effect of a turbulent background superimposed on the mean flow is considered by using an eddy viscosity computed from resolved simulations. Tracking the vortical structure downstream, it is found that secondary hairpins are only created shortly after initialization, with all rotational structures decaying for later times. For hairpins in a clean (laminar) environment, the decay is relatively slow, while hairpins in weak turbulent environments (10% of νt) dissipate after a couple of eddy turnover times. In the second part, the role of hairpin vortices in laminar-turbulent transition is studied using simulations of spatial boundary layers tripped by hairpin vortices. These vortices are generated by means of specific volumetric forces representing an ejection event, creating a synthetic turbulent boundary layer initially dominated by hairpin-like vortices. These hairpins are advected towards the wake region of the boundary layer, while a sinusoidal instability of the streaks near the wall results in rapid development of a turbulent boundary layer. For Reθ > 400, the boundary layer is fully developed, with no evidence of hairpin vortices reaching into the wall region. The results from both the parallel and spatial simulations strongly suggest that the regeneration process is rather short-lived and may not sustain once a turbulent background is developed. From the transitional flow simulations, it is conjectured that the forest of hairpins reported in former direct numerical simulation studies is reminiscent of the transitional boundary layer and may not be connected to some aspects of the dynamics of the fully developed wall-bounded turbulence.

Detailed characteristics of drop-laden mixing layers: LES predictions compared to DNS

NASA Technical Reports Server (NTRS)

Okong'o, N.; Leboissetier, A.; Bellan, J.

2004-01-01

Results have been compared from Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) of a temporal mixing layer laden with evaporating drops, to assess the ability of LES to reproduce detailed characteristics of DNS.

Hydrogeology and simulation of water flow in strata above Bearpaw Shale and equivalents of eastern Montana and northeastern Wyoming

USGS Publications Warehouse

Hotchkiss, W.R.; Levings, J.F.

1986-01-01

The Powder River, Bull Mountains, and Williston basins of Montana and Wyoming were investigated to understand the geohydrology and subsurface water flow. Rocks were separated into: Fox Hills-lower Hell Creek aquifer (layer 1), upper Hell Creek confining layer (layer 2), Tullock aquifer (layer 3), Lebo confining layer (layer 4), and Tongue River aquifer (layer 5). Aquifer transmissivities were estimated from ratios of sand and shale and adjusted for kinematic viscosity and compaction. Vertical hydraulic conductance per unit area between layers was estimated. Potentiometric surface maps were drawn from limited data. A three-dimensional finite-difference model was used for simulation. Five stages of simulation decreased and standard error of estimate for hydraulic head from 135 to 110 feet for 739 observation nodes. The resulting mean transmissivities for layers 1-5 were 443, 191, 374, 217, and 721 sq ft/d. The corresponding mean vertical hydraulic conductances per unit area between the layers were simulated; they ranged from 0.000140 to 0.0000150. Mean annual recharge across the study area was about 0.26 percent of average annual precipitation. Large volumes of interlayer flow indicate the vertical flow may be significant. (USGS)

Simulation of thermally induced processes of diffusion and phase formation in layered binary metallic systems

NASA Astrophysics Data System (ADS)

Rusakov, V. S.; Sukhorukov, I. A.; Zhankadamova, A. M.; Kadyrzhanov, K. K.

2010-05-01

Results of the simulation of thermally induced processes of diffusion and phase formation in model and experimentally investigated layered binary metallic systems are presented. The physical model is based on the Darken phenomenological theory and on the mechanism of interdiffusion of components along the continuous diffusion channels of phases in the two-phase regions of the system. The simulation of processes in the model systems showed that the thermally stabilized concentration profiles in two-layer binary metallic systems are virtually independent of the partial diffusion coefficients; for the systems with the average concentration of components that is the same over the sample depth, the time of the thermal stabilization of the structural and phase state inhomogeneous over the depth grows according to a power law with increasing thickness of the system in such a manner that the thicknesses of the surface layers grow, while the thickness of the intermediate layer approaches a constant value. The results of the simulation of the processes of diffusion and phase formation in experimentally investigated layered binary systems Fe-Ti and Cu-Be upon sequential isothermal and isochronous annealings agree well with the experimental data.

Wind turbine wakes in forest and neutral plane wall boundary layer large-eddy simulations

NASA Astrophysics Data System (ADS)

Schröttle, Josef; Piotrowski, Zbigniew; Gerz, Thomas; Englberger, Antonia; Dörnbrack, Andreas

2016-09-01

Wind turbine wake flow characteristics are studied in a strongly sheared and turbulent forest boundary layer and a neutral plane wall boundary layer flow. The reference simulations without wind turbine yield similar results as earlier large-eddy simulations by Shaw and Schumann (1992) and Porte-Agel et al. (2000). To use the fields from the homogeneous turbulent boundary layers on the fly as inflow fields for the wind turbine wake simulations, a new and efficient methodology was developed for the multiscale geophysical flow solver EULAG. With this method fully developed turbulent flow fields can be achieved upstream of the wind turbine which are independent of the wake flow. The large-eddy simulations reproduce known boundary-layer statistics as mean wind profile, momentum flux profile, and eddy dissipation rate of the plane wall and the forest boundary layer. The wake velocity deficit is more asymmetric above the forest and recovers faster downstream compared to the velocity deficit in the plane wall boundary layer. This is due to the inflection point in the mean streamwise velocity profile with corresponding turbulent coherent structures of high turbulence intensity in the strong shear flow above the forest.

Apparent resistivity for transient electromagnetic induction logging and its correction in radial layer identification

NASA Astrophysics Data System (ADS)

Meng, Qingxin; Hu, Xiangyun; Pan, Heping; Xi, Yufei

2018-04-01

We propose an algorithm for calculating all-time apparent resistivity from transient electromagnetic induction logging. The algorithm is based on the whole-space transient electric field expression of the uniform model and Halley's optimisation. In trial calculations for uniform models, the all-time algorithm is shown to have high accuracy. We use the finite-difference time-domain method to simulate the transient electromagnetic field in radial two-layer models without wall rock and convert the simulation results to apparent resistivity using the all-time algorithm. The time-varying apparent resistivity reflects the radially layered geoelectrical structure of the models and the apparent resistivity of the earliest time channel follows the true resistivity of the inner layer; however, the apparent resistivity at larger times reflects the comprehensive electrical characteristics of the inner and outer layers. To accurately identify the outer layer resistivity based on the series relationship model of the layered resistance, the apparent resistivity and diffusion depth of the different time channels are approximately replaced by related model parameters; that is, we propose an apparent resistivity correction algorithm. By correcting the time-varying apparent resistivity of radial two-layer models, we show that the correction results reflect the radially layered electrical structure and the corrected resistivities of the larger time channels follow the outer layer resistivity. The transient electromagnetic fields of radially layered models with wall rock are simulated to obtain the 2D time-varying profiles of the apparent resistivity and corrections. The results suggest that the time-varying apparent resistivity and correction results reflect the vertical and radial geoelectrical structures. For models with small wall-rock effect, the correction removes the effect of the low-resistance inner layer on the apparent resistivity of the larger time channels.

Determination of layer ordering using sliding-window Fourier transform of x-ray reflectivity data

NASA Astrophysics Data System (ADS)

Smigiel, E.; Knoll, A.; Broll, N.; Cornet, A.

1998-01-01

X-ray reflectometry allows the determination of the thickness, density and roughness of thin layers on a substrate from several Angstroms to some hundred nanometres. The thickness is determined by simulation with trial-and-error methods after extracting initial values of the layer thicknesses from the result of a classical Fast Fourier Transform (FFT) of the reflectivity data. However, the order information of the layers is lost during classical FFT. The order of the layers has then to be known a priori. In this paper, it will be shown that the order of the layers can be obtained by a sliding-window Fourier transform, the so-called Gabor representation. This joint time-frequency analysis allows the direct determination of the order of the layers and, therefore, the use of a more appropriate starting model for refining simulations. A simulated and a measured example show the interest of this method.

Face aging effect simulation model based on multilayer representation and shearlet transform

NASA Astrophysics Data System (ADS)

Li, Yuancheng; Li, Yan

2017-09-01

In order to extract detailed facial features, we build a face aging effect simulation model based on multilayer representation and shearlet transform. The face is divided into three layers: the global layer of the face, the local features layer, and texture layer, which separately establishes the aging model. First, the training samples are classified according to different age groups, and we use active appearance model (AAM) at the global level to obtain facial features. The regression equations of shape and texture with age are obtained by fitting the support vector machine regression, which is based on the radial basis function. We use AAM to simulate the aging of facial organs. Then, for the texture detail layer, we acquire the significant high-frequency characteristic components of the face by using the multiscale shearlet transform. Finally, we get the last simulated aging images of the human face by the fusion algorithm. Experiments are carried out on the FG-NET dataset, and the experimental results show that the simulated face images have less differences from the original image and have a good face aging simulation effect.

3D printing of tissue-simulating phantoms as a traceable standard for biomedical optical measurement

NASA Astrophysics Data System (ADS)

Dong, Erbao; Wang, Minjie; Shen, Shuwei; Han, Yilin; Wu, Qiang; Xu, Ronald

2016-01-01

Optical phantoms are commonly used to validate and calibrate biomedical optical devices in order to ensure accurate measurement of optical properties in biological tissue. However, commonly used optical phantoms are based on homogenous materials that reflect neither optical properties nor multi-layer heterogeneities of biological tissue. Using these phantoms for optical calibration may result in significant bias in biological measurement. We propose to characterize and fabricate tissue simulating phantoms that simulate not only the multi-layer heterogeneities but also optical properties of biological tissue. The tissue characterization module detects tissue structural and functional properties in vivo. The phantom printing module generates 3D tissue structures at different scales by layer-by-layer deposition of phantom materials with different optical properties. The ultimate goal is to fabricate multi-layer tissue simulating phantoms as a traceable standard for optimal calibration of biomedical optical spectral devices.

A numerical analysis of a magnetocaloric refrigerator with a 16-layer regenerator

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

Zhang, Mingkan; Abdelaziz, Omar; Momen, Ayyoub Mehdizadeh

A numerical analysis was conducted to study a room temperature magnetocaloric refrigerator with a 16-layer parallel plates active magnetic regenerator (AMR). Sixteen layers of LaFeMnSiH having different Curie temperatures were employed as magnetocaloric material (MCM) in the regenerator. Measured properties data was used. A transient one dimensional (1D) model was employed, in which a unique numerical method was developed to significantly accelerate the simulation speed of the multi-layer AMR system. As a result, the computation speed of a multi-layer AMR case was very close to the single-layer configuration. The performance of the 16-layer AMR system in different frequencies and utilizationsmore » has been investigated using this model. To optimize the layer length distribution of the 16-layer MCMs in the regenerator, a set of 137 simulations with different MCM distributions based on the Design of Experiments (DoE) method was conducted and the results were analyzed. The results show that the 16-layer AMR system can operate up to 84% of Carnot cycle COP at a temperature span of 41 K, which cannot be obtained using an AMR with fewer layers. Here, the DoE results indicate that for a 16-layer AMR system, the uniform distribution is very close to the optimized design.« less

A numerical analysis of a magnetocaloric refrigerator with a 16-layer regenerator

DOE PAGES

Zhang, Mingkan; Abdelaziz, Omar; Momen, Ayyoub Mehdizadeh; ...

2017-10-25

A numerical analysis was conducted to study a room temperature magnetocaloric refrigerator with a 16-layer parallel plates active magnetic regenerator (AMR). Sixteen layers of LaFeMnSiH having different Curie temperatures were employed as magnetocaloric material (MCM) in the regenerator. Measured properties data was used. A transient one dimensional (1D) model was employed, in which a unique numerical method was developed to significantly accelerate the simulation speed of the multi-layer AMR system. As a result, the computation speed of a multi-layer AMR case was very close to the single-layer configuration. The performance of the 16-layer AMR system in different frequencies and utilizationsmore » has been investigated using this model. To optimize the layer length distribution of the 16-layer MCMs in the regenerator, a set of 137 simulations with different MCM distributions based on the Design of Experiments (DoE) method was conducted and the results were analyzed. The results show that the 16-layer AMR system can operate up to 84% of Carnot cycle COP at a temperature span of 41 K, which cannot be obtained using an AMR with fewer layers. Here, the DoE results indicate that for a 16-layer AMR system, the uniform distribution is very close to the optimized design.« less

A numerical analysis of a magnetocaloric refrigerator with a 16-layer regenerator.

PubMed

Zhang, Mingkan; Abdelaziz, Omar; Momen, Ayyoub M; Abu-Heiba, Ahmad

2017-10-25

A numerical analysis was conducted to study a room temperature magnetocaloric refrigerator with a 16-layer parallel plates active magnetic regenerator (AMR). Sixteen layers of LaFeMnSiH having different Curie temperatures were employed as magnetocaloric material (MCM) in the regenerator. Measured properties data was used. A transient one dimensional (1D) model was employed, in which a unique numerical method was developed to significantly accelerate the simulation speed of the multi-layer AMR system. As a result, the computation speed of a multi-layer AMR case was very close to the single-layer configuration. The performance of the 16-layer AMR system in different frequencies and utilizations has been investigated using this model. To optimize the layer length distribution of the 16-layer MCMs in the regenerator, a set of 137 simulations with different MCM distributions based on the Design of Experiments (DoE) method was conducted and the results were analyzed. The results show that the 16-layer AMR system can operate up to 84% of Carnot cycle COP at a temperature span of 41 K, which cannot be obtained using an AMR with fewer layers. The DoE results indicate that for a 16-layer AMR system, the uniform distribution is very close to the optimized design.

Modern CFD applications for the design of a reacting shear layer facility

NASA Technical Reports Server (NTRS)

Yu, S. T.; Chang, C. T.; Marek, C. J.

1991-01-01

The RPLUS2D code, capable of calculating high speed reacting flows, was adopted to design a compressible shear layer facility. In order to create reacting shear layers at high convective Mach numbers, hot air streams at supersonic speeds, rendered by converging-diverging nozzles, must be provided. A finite rate chemistry model is used to simulate the nozzle flows. Results are compared with one-dimensional solutions at chemical equilibrium. Additionally, a two equation turbulence model with compressibility effects was successfully incorporated with the RPLUS code. The model was applied to simulate a supersonic shear layer. Preliminary results show favorable comparisons with the experimental data.

Monoatomic layer removal mechanism in chemical mechanical polishing process: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Si, Lina; Guo, Dan; Luo, Jianbin; Lu, Xinchun

2010-03-01

Molecular dynamics simulations of nanoscratching processes were used to study the atomic-scale removal mechanism of single crystalline silicon in chemical mechanical polishing (CMP) process and particular attention was paid to the effect of scratching depth. The simulation results under a scratching depth of 1 nm showed that a thick layer of silicon material was removed by chip formation and an amorphous layer was formed on the silicon surface after nanoscratching. By contrast, the simulation results with a depth of 0.1 nm indicated that just one monoatomic layer of workpiece was removed and a well ordered crystalline surface was obtained, which is quite consistent with previous CMP experimental results. Therefore, monoatomic layer removal mechanism was presented, by which it is considered that during CMP process the material was removed by one monoatomic layer after another, and the mechanism could provide a reasonable understanding on how the high precision surface was obtained. Also, the effects of the silica particle size and scratching velocity on the removal mechanism were investigated; the wear regimes and interatomic forces between silica particle and workpiece were studied to account for the different removal mechanisms with indentation depths of 0.1 and 1 nm.

Origins of Moiré Patterns in CVD-grown MoS2 Bilayer Structures at the Atomic Scales.

PubMed

Wang, Jin; Namburu, Raju; Dubey, Madan; Dongare, Avinash M

2018-06-21

The chemical vapor deposition (CVD)-grown two-dimensional molybdenum disulfide (MoS 2 ) structures comprise of flakes of few layers with different dimensions. The top layers are relatively smaller in size than the bottom layers, resulting in the formation of edges/steps across adjacent layers. The strain response of such few-layer terraced structures is therefore likely to be different from exfoliated few-layered structures with similar dimensions without any terraces. In this study, the strain response of CVD-grown few-layered MoS 2 terraced structures is investigated at the atomic scales using classic molecular dynamics (MD) simulations. MD simulations suggest that the strain relaxation of CVD-grown triangular terraced structures is observed in the vertical displacement of the atoms across the layers that results in the formation of Moiré patterns. The Moiré islands are observed to nucleate at the corners or edges of the few-layered structure and propagate inwards under both tensile and compressive strains. The nucleation of these islands is observed to happen at tensile strains of ~ 2% and at compressive strains of ~2.5%. The vertical displacements of the atoms and the dimensions of the Moiré islands predicted using the MD simulation are in excellent agreement with that observed experimentally.

Creation of deuterium protective layer below the tungsten surface

NASA Astrophysics Data System (ADS)

Krstic, Predrag; Kaganovich, Igor; Startsev, Edward

2014-10-01

By cumulative irradiation of both pre-damaged and virgin surfaces of monocrystal tungsten by deuterium atoms of impact energy of few tens of eV, we simulate by classical molecular dynamics the creation of a deuterium protective layer. The depth and width of the layer depend on the deuterium impact energy and the diffusion rate of deuterium in tungsten, the latter being influenced by the tungsten temperature and damage. Found simulation results are in concert with the experimental results, found recently in DIFFER. Support of the PPPL LDRD project acknowledged.

Stability of boundary layer flow based on energy gradient theory

NASA Astrophysics Data System (ADS)

Dou, Hua-Shu; Xu, Wenqian; Khoo, Boo Cheong

2018-05-01

The flow of the laminar boundary layer on a flat plate is studied with the simulation of Navier-Stokes equations. The mechanisms of flow instability at external edge of the boundary layer and near the wall are analyzed using the energy gradient theory. The simulation results show that there is an overshoot on the velocity profile at the external edge of the boundary layer. At this overshoot, the energy gradient function is very large which results in instability according to the energy gradient theory. It is found that the transverse gradient of the total mechanical energy is responsible for the instability at the external edge of the boundary layer, which induces the entrainment of external flow into the boundary layer. Within the boundary layer, there is a maximum of the energy gradient function near the wall, which leads to intensive flow instability near the wall and contributes to the generation of turbulence.

Long-time self-diffusion of charged spherical colloidal particles in parallel planar layers.

PubMed

Contreras-Aburto, Claudio; Báez, César A; Méndez-Alcaraz, José M; Castañeda-Priego, Ramón

2014-06-28

The long-time self-diffusion coefficient, D(L), of charged spherical colloidal particles in parallel planar layers is studied by means of Brownian dynamics computer simulations and mode-coupling theory. All particles (regardless which layer they are located on) interact with each other via the screened Coulomb potential and there is no particle transfer between layers. As a result of the geometrical constraint on particle positions, the simulation results show that D(L) is strongly controlled by the separation between layers. On the basis of the so-called contraction of the description formalism [C. Contreras-Aburto, J. M. Méndez-Alcaraz, and R. Castañeda-Priego, J. Chem. Phys. 132, 174111 (2010)], the effective potential between particles in a layer (the so-called observed layer) is obtained from integrating out the degrees of freedom of particles in the remaining layers. We have shown in a previous work that the effective potential performs well in describing the static structure of the observed layer (loc. cit.). In this work, we find that the D(L) values determined from the simulations of the observed layer, where the particles interact via the effective potential, do not agree with the exact values of D(L). Our findings confirm that even when an effective potential can perform well in describing the static properties, there is no guarantee that it will correctly describe the dynamic properties of colloidal systems.

Contributions to the simulation of turbulence

NASA Technical Reports Server (NTRS)

Dutton, J. A.; Kerman, B. R.; Petersen, E. L.

1976-01-01

The simulation modeling of turbulence in the boundary layer in consolidated in terms of boundary layer similarity principles and empirical results. The modeling is extended for some aspects of the nonlinear and non-Gaussian structure of the turbulence. Properties of the discrete gust form structure of the modeled turbulence are identified.

Statistics of backscatter radar return from vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Chen, K. S.; Fung, A. K.

1992-01-01

The statistical characteristics of radar return from vegetation targets are investigated through a simulation study based upon the first-order scattered field. For simulation purposes, the vegetation targets are modeled as a layer of randomly oriented and spaced finite cylinders, needles, or discs, or a combination of them. The finite cylinder is used to represent a branch or a trunk, the needle for a stem or a coniferous leaf, and the disc for a decidous leaf. For a plane wave illuminating a vegetation canopy, simulation results show that the signal returned from a layer of disc- or needle-shaped leaves follows the Gamma distribution, and that the signal returned from a layer of branches resembles the log normal distribution. The Gamma distribution also represents the signal returned from a layer of a mixture of branches and leaves regardless of the leaf shapes. Results also indicate that the polarization state does not have a significant impact on signal distribution.

Molecular simulation of dispersion and mechanical stability of organically modified layered silicates in polymer matrices

NASA Astrophysics Data System (ADS)

Fu, Yao-Tsung

The experimental analysis of nanometer-scale separation processes and mechanical properties at buried interfaces in nanocomposites has remained difficult. We have employed molecular dynamics simulation in relation to available experimental data to alleviate such limitations and gain insight into the dispersion and mechanical stability of organically modified layered silicates in hydrophobic polymer matrices. We analyzed cleavage energies of various organically modified silicates as a function of the cation exchange capacity, surfactant head group chemistry, and chain length using MD simulations with the PCFF-PHYLLOSILICATE force field. The range of the cleavage energy is between 25 and 210 mJ/m2 upon the molecular structures and packing of surfactants. As a function of chain length, the cleavage energy indicates local minima for interlayer structures comprised of loosely packed layers of alkyl chains and local maxima for interlayer structures comprised of densely packed layers of alkyl chains between the layers. In addition, the distribution of cationic head groups between the layers in the equilibrium state determines whether large increases in cleavage energy due to Coulomb attraction. We have also examined mechanical bending and failure mechanisms of layered silicates on the nanometer scale using molecular dynamics simulation in comparison to a library of TEM data of polymer nanocomposites. We investigated the energy of single clay lamellae as a function of bending radius and different cation density. The layer energy increases particularly for bending radii below 20 nm and is largely independent of cation exchange capacity. The analysis of TEM images of agglomerated and exfoliated aluminosilicates of different CEC in polymer matrices at small volume fractions showed bending radii in excess of 100 nm due to free volumes in the polymer matrix. At a volume fraction >5%, however, bent clay layers were found with bending radii <20 nm and kinks as a failure mechanism in good agreement with simulation results. We have examined thermal conductivity of organically modified layered silicates using molecular dynamics simulation in comparison to experimental results by laser measurement. The thermal conductivity slightly increased from 0.08 to 0.14 Wm-1K-1 with increasing chain length, related to the gallery spacing and interlayer density of the organic material.

RCWA and FDTD modeling of light emission from internally structured OLEDs.

PubMed

Callens, Michiel Koen; Marsman, Herman; Penninck, Lieven; Peeters, Patrick; de Groot, Harry; ter Meulen, Jan Matthijs; Neyts, Kristiaan

2014-05-05

We report on the fabrication and simulation of a green OLED with an Internal Light Extraction (ILE) layer. The optical behavior of these devices is simulated using both Rigorous Coupled Wave Analysis (RCWA) and Finite Difference Time-Domain (FDTD) methods. Results obtained using these two different techniques show excellent agreement and predict the experimental results with good precision. By verifying the validity of both simulation methods on the internal light extraction structure we pave the way to optimization of ILE layers using either of these methods.

Galvanostatic interruption of lithium insertion into magnetite: Evidence of surface layer formation

DOE PAGES

Nicholas W. Brady; Takeuchi, Esther S.; Knehr, K. W.; ...

2016-04-24

Magnetite is a known lithium intercalation material, and the loss of active, nanocrystalline magnetite can be inferred from the open-circuit potential relaxation. Specifically, for current interruption after relatively small amounts of lithium insertion, the potential first increases and then decreases, and the decrease is hypothesized to be due to a formation of a surface layer, which increases the solid-state lithium concentration in the remaining active material. Comparisons of simulation to experiment suggest that the reactions with the electrolyte result in the formation of a thin layer of electrochemically inactive material, which is best described by a nucleation and growth mechanism.more » Simulations are consistent with experimental results observed for 6, 8 and 32-nm crystals. As a result, simulations capture the experimental differences in lithiation behavior between the first and second cycles.« less

Numerical investigation of supersonic turbulent boundary layers with high wall temperature

NASA Technical Reports Server (NTRS)

Guo, Y.; Adams, N. A.

1994-01-01

A direct numerical approach has been developed to simulate supersonic turbulent boundary layers. The mean flow quantities are obtained by solving the parabolized Reynolds-averaged Navier-Stokes equations (globally). Fluctuating quantities are computed locally with a temporal direct numerical simulation approach, in which nonparallel effects of boundary layers are partially modeled. Preliminary numerical results obtained at the free-stream Mach numbers 3, 4.5, and 6 with hot-wall conditions are presented. Approximately 5 million grid points are used in all three cases. The numerical results indicate that compressibility effects on turbulent kinetic energy, in terms of dilatational dissipation and pressure-dilatation correlation, are small. Due to the hot-wall conditions the results show significant low Reynolds number effects and large streamwise streaks. Further simulations with a bigger computational box or a cold-wall condition are desirable.

Simulation and Implementation of Moth-eye Structures as a Broadband Anti-Reflective Layer

NASA Astrophysics Data System (ADS)

Deshpande, Ketan S.

Conventional single layer thin anti-reflective coatings (ARCs) are only suitable for narrowband applications. A multilayer film stack is often employed for broadband applications. A coating of multiple layers with alternating low and high refractive index materials increases the overall cost of the system. This makes multilayer ARCs unsuitable for low-cost broadband applications. Since the discovery of moth-eye corneal nipple patterns and their potential applicability in the field of broadband ARCs, many studies have been carried out to fabricate these bio-inspired nanostructures with available manufacturing processes. Plasma etching processes used in microelectronic manufacturing are applied for creating these nanostructures at the Rochester Institute of Technology's Semiconductor & Microsystems Fabrication Laboratory (SMFL). Atomic Force Microscope (AFM) scanned surfaces of the nanostructure layer are simulated and characterized for their optical properties using a Finite-Difference Time Domain (FDTD) simulator from Lumerical Solutions, Inc. known as FDTD Solutions. Simulation results show that the layer is anti-reflective over 50 to 350 nm broadband of wavelengths at 0° angle of incidence. These simulation results were supported by ellipsometer reflection measurements off the actual samples at multiple angles of light incidence, which show a 10% to 15% decrease in reflection for 240 to 400 nm wavelengths. Further improvements in the optical efficiency of these structures can be achieved through simulation-fabrication-characterization cycles performed for this project. The optimized nanostructures can then serve the purpose of low-cost anti-reflective coatings for solar cells and similar applications.

Seasonal simulations of the planetary boundary layer and boundary-layer stratocumulus clouds with a general circulation model

NASA Technical Reports Server (NTRS)

Randall, D. A.; Abeles, J. A.; Corsetti, T. G.

1985-01-01

The formulation of the planetary boundary layer (PBL) and stratocumulus parametrizations in the UCLA general circulation model (GCM) are briefly summarized, and extensive new results are presented illustrating some aspects of the simulated seasonal changes of the global distributions of PBL depth, stratocumulus cloudiness, cloud-top entrainment instability, the cumulus mass flux, and related fields. Results from three experiments designed to reveal the sensitivity of the GCM results to aspects of the PBL and stratocumulus parametrizations are presented. The GCM results show that the layer cloud instability appears to limit the extent of the marine subtropical stratocumulus regimes, and that instability frequently occurs in association with cumulus convection over land. Cumulus convection acts as a very significant sink of PBL mass throughout the tropics and over the midlatitude continents in winter.

Scale effects in wind tunnel modeling of an urban atmospheric boundary layer

NASA Astrophysics Data System (ADS)

Kozmar, Hrvoje

2010-03-01

Precise urban atmospheric boundary layer (ABL) wind tunnel simulations are essential for a wide variety of atmospheric studies in built-up environments including wind loading of structures and air pollutant dispersion. One of key issues in addressing these problems is a proper choice of simulation length scale. In this study, an urban ABL was reproduced in a boundary layer wind tunnel at different scales to study possible scale effects. Two full-depth simulations and one part-depth simulation were carried out using castellated barrier wall, vortex generators, and a fetch of roughness elements. Redesigned “Counihan” vortex generators were employed in the part-depth ABL simulation. A hot-wire anemometry system was used to measure mean velocity and velocity fluctuations. Experimental results are presented as mean velocity, turbulence intensity, Reynolds stress, integral length scale of turbulence, and power spectral density of velocity fluctuations. Results suggest that variations in length-scale factor do not influence the generated ABL models when using similarity criteria applied in this study. Part-depth ABL simulation compares well with two full-depth ABL simulations indicating the truncated vortex generators developed for this study can be successfully employed in urban ABL part-depth simulations.

Comparison of three large-eddy simulations of shock-induced turbulent separation bubbles

NASA Astrophysics Data System (ADS)

Touber, Emile; Sandham, Neil D.

2009-12-01

Three different large-eddy simulation investigations of the interaction between an impinging oblique shock and a supersonic turbulent boundary layer are presented. All simulations made use of the same inflow technique, specifically aimed at avoiding possible low-frequency interferences with the shock/boundary-layer interaction system. All simulations were run on relatively wide computational domains and integrated over times greater than twenty five times the period of the most commonly reported low-frequency shock-oscillation, making comparisons at both time-averaged and low-frequency-dynamic levels possible. The results confirm previous experimental results which suggested a simple linear relation between the interaction length and the oblique-shock strength if scaled using the boundary-layer thickness and wall-shear stress. All the tested cases show evidences of significant low-frequency shock motions. At the wall, energetic low-frequency pressure fluctuations are observed, mainly in the initial part of interaction.

Thickness optimization of the ZnO based TCO layer in a CZTSSe solar cell. Evolution of its performance with thickness when external temperature changes.

NASA Astrophysics Data System (ADS)

Chadel, Meriem; Moustafa Bouzaki, Mohammed; Chadel, Asma; Aillerie, Michel; Benyoucef, Boumediene

2017-07-01

The influence of the thickness of a Zinc Oxide (ZnO) transparent conductive oxide (TCO) layer on the performance of the CZTSSe solar cell is shown in detail. In a photovoltaic cell, the thickness of each layer largely influence the performance of the solar cell and optimization of each layer constitutes a complete work. Here, using the Solar Cell Capacitance Simulation (SCAPS) software, we present simulation results obtained in the analyze of the influence of the TCO layer thickness on the performance of a CZTSSe solar cell, starting from performance of a CZTSSe solar cell commercialized in 2014 with an initial efficiency equal to 12.6%. In simulation, the temperature was considered as a functioning parameter and the evolution of tthe performance of the cell for various thickness of the TCO layer when the external temperature changes is simulated and discussed. The best efficiency of the solar cell based in CZTSSe is obtained with a ZnO thickness equal to 50 nm and low temperature. Based on the considered marketed cell, we show a technological possible increase of the global efficiency achieving 13% by optimization of ZnO based TCO layer.

Numerically simulated two-dimensional auroral double layers

NASA Technical Reports Server (NTRS)

Borovsky, J. E.; Joyce, G.

1983-01-01

A magnetized 2 1/2-dimensional particle-in-cell system which is periodic in one direction and bounded by reservoirs of Maxwellian plasma in the other is used to numerically simulate electrostatic plasma double layers. For the cases of both oblique and two-dimensional double layers, the present results indicate periodic instability, Debye length rather than gyroradii scaling, and low frequency electrostatic turbulence together with electron beam-excited electrostatatic electron-cyclotron waves. Estimates are given for the thickness of auroral doule layers, as well as the separations within multiple auroral arcs. Attention is given to the temporal modulation of accelerated beams, and the possibilities for ion precipitation and ion conic production by the double layer are hypothesized. Simulations which include the atmospheric backscattering of electrons imply the action of an ionospheric sheath which accelerates ionospheric ions upward.

ANGULAR MOMENTUM TRANSPORT BY ACOUSTIC MODES GENERATED IN THE BOUNDARY LAYER. I. HYDRODYNAMICAL THEORY AND SIMULATIONS

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

Belyaev, Mikhail A.; Rafikov, Roman R.; Stone, James M., E-mail: rrr@astro.princeton.edu

The nature of angular momentum transport in the boundary layers of accretion disks has been one of the central and long-standing issues of accretion disk theory. In this work we demonstrate that acoustic waves excited by supersonic shear in the boundary layer serve as an efficient mechanism of mass, momentum, and energy transport at the interface between the disk and the accreting object. We develop the theory of angular momentum transport by acoustic modes in the boundary layer, and support our findings with three-dimensional hydrodynamical simulations, using an isothermal equation of state. Our first major result is the identification ofmore » three types of global modes in the boundary layer. We derive dispersion relations for each of these modes that accurately capture the pattern speeds observed in simulations to within a few percent. Second, we show that angular momentum transport in the boundary layer is intrinsically nonlocal, and is driven by radiation of angular momentum away from the boundary layer into both the star and the disk. The picture of angular momentum transport in the boundary layer by waves that can travel large distances before dissipating and redistributing angular momentum and energy to the disk and star is incompatible with the conventional notion of local transport by turbulent stresses. Our results have important implications for semianalytical models that describe the spectral emission from boundary layers.« less

Direct Simulation of Evolution and Control of Three-Dimensional Instabilities in Attachment-Line Boundary Layers

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.

1995-01-01

The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic- source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in at-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.

Design verification of large time constant thermal shields for optical reference cavities.

PubMed

Zhang, J; Wu, W; Shi, X H; Zeng, X Y; Deng, K; Lu, Z H

2016-02-01

In order to achieve high frequency stability in ultra-stable lasers, the Fabry-Pérot reference cavities shall be put inside vacuum chambers with large thermal time constants to reduce the sensitivity to external temperature fluctuations. Currently, the determination of thermal time constants of vacuum chambers is based either on theoretical calculation or time-consuming experiments. The first method can only apply to simple system, while the second method will take a lot of time to try out different designs. To overcome these limitations, we present thermal time constant simulation using finite element analysis (FEA) based on complete vacuum chamber models and verify the results with measured time constants. We measure the thermal time constants using ultrastable laser systems and a frequency comb. The thermal expansion coefficients of optical reference cavities are precisely measured to reduce the measurement error of time constants. The simulation results and the experimental results agree very well. With this knowledge, we simulate several simplified design models using FEA to obtain larger vacuum thermal time constants at room temperature, taking into account vacuum pressure, shielding layers, and support structure. We adopt the Taguchi method for shielding layer optimization and demonstrate that layer material and layer number dominate the contributions to the thermal time constant, compared with layer thickness and layer spacing.

Melanoma thickness measurement in two-layer tissue phantoms using pulsed photothermal radiometry (PPTR)

NASA Astrophysics Data System (ADS)

Wang, Tianyi; Qiu, Jinze; Paranjape, Amit; Milner, Thomas E.

2009-02-01

Melanoma is a malignant tumor of melanocytes which are found predominantly in skin. Melanoma is one of the rarer types of skin cancer but causes the majority of skin cancer related deaths. The staging of malignant melanoma using Breslow thickness is important because of the relationship to survival rate after five years. Pulsed photothermal radiometry (PPTR) is based on the time-resolved acquisition of infrared (IR) emission from a sample after pulsed laser exposure. PPTR can be used to investigate the relationship between melanoma thickness and detected radiometric temperature using two-layer tissue phantoms. We used a Monte Carlo simulation to mimic light transport in melanoma and employed a three-dimensional heat transfer model to obtain simulated radiometric temperature increase and, in comparison, we also conducted PPTR experiments to confirm our simulation results. Simulation and experimental results show similar trends: thicker absorbing layers corresponding to deeper lesions produce slower radiometric temperature decays. A quantitative relationship exists between PPTR radiometric temperature decay time and thickness of the absorbing layer in tissue phantoms.

Testing conceptual and physically based soil hydrology schemes against observations for the Amazon Basin

NASA Astrophysics Data System (ADS)

Guimberteau, M.; Ducharne, A.; Ciais, P.; Boisier, J. P.; Peng, S.; De Weirdt, M.; Verbeeck, H.

2014-06-01

This study analyzes the performance of the two soil hydrology schemes of the land surface model ORCHIDEE in estimating Amazonian hydrology and phenology for five major sub-basins (Xingu, Tapajós, Madeira, Solimões and Negro), during the 29-year period 1980-2008. A simple 2-layer scheme with a bucket topped by an evaporative layer is compared to an 11-layer diffusion scheme. The soil schemes are coupled with a river routing module and a process model of plant physiology, phenology and carbon dynamics. The simulated water budget and vegetation functioning components are compared with several data sets at sub-basin scale. The use of the 11-layer soil diffusion scheme does not significantly change the Amazonian water budget simulation when compared to the 2-layer soil scheme (+3.1 and -3.0% in evapotranspiration and river discharge, respectively). However, the higher water-holding capacity of the soil and the physically based representation of runoff and drainage in the 11-layer soil diffusion scheme result in more dynamic soil water storage variation and improved simulation of the total terrestrial water storage when compared to GRACE satellite estimates. The greater soil water storage within the 11-layer scheme also results in increased dry-season evapotranspiration (+0.5 mm d-1, +17%) and improves river discharge simulation in the southeastern sub-basins such as the Xingu. Evapotranspiration over this sub-basin is sustained during the whole dry season with the 11-layer soil diffusion scheme, whereas the 2-layer scheme limits it after only 2 dry months. Lower plant drought stress simulated by the 11-layer soil diffusion scheme leads to better simulation of the seasonal cycle of photosynthesis (GPP) when compared to a GPP data-driven model based on eddy covariance and satellite greenness measurements. A dry-season length between 4 and 7 months over the entire Amazon Basin is found to be critical in distinguishing differences in hydrological feedbacks between the soil and the vegetation cover simulated by the two soil schemes. On average, the multilayer soil diffusion scheme provides little improvement in simulated hydrology over the wet tropical Amazonian sub-basins, but a more significant improvement is found over the drier sub-basins. The use of a multilayer soil diffusion scheme might become critical for assessments of future hydrological changes, especially in southern regions of the Amazon Basin where longer dry seasons and more severe droughts are expected in the next century.

Interaction of viscous and inviscid instability modes in separation-bubble transition

NASA Astrophysics Data System (ADS)

Brinkerhoff, Joshua R.; Yaras, Metin I.

2011-12-01

This paper describes numerical simulations that are used to examine the interaction of viscous and inviscid instability modes in laminar-to-turbulent transition in a separation bubble. The results of a direct numerical simulation are presented in which separation of a laminar boundary-layer occurs in the presence of an adverse streamwise pressure gradient. The simulation is performed at low freestream-turbulence levels and at a flow Reynolds number and pressure distribution approximating those typically encountered on the suction side of low-pressure turbine blades in a gas-turbine engine. The simulation results reveal the development of a viscous instability upstream of the point of separation which produces streamwise-oriented vortices in the attached laminar boundary layer. These vortices remain embedded in the flow downstream of separation and are carried into the separated shear layer, where they are amplified by the local adverse pressure-gradient and contribute to the formation of coherent hairpin-like vortices. A strong interaction is observed between these vortices and the inviscid instability that typically dominates the shear layer in the separated zone. The interaction is noted to determine the spanwise extent of the vortical flow structures that periodically shed from the downstream end of the separated shear layer. The structure of the shed vortical flow structures is examined and compared with the coherent structures typically observed within turbulent boundary layers.

Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

NASA Astrophysics Data System (ADS)

Yunpeng, Jia; Hongyuan, Su; Rui, Jin; Dongqing, Hu; Yu, Wu

2016-02-01

The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. Project supported by the National Natural Science Foundation of China (No. 61176071), the Doctoral Fund of Ministry of Education of China (No. 20111103120016), and the Science and Technology Program of State Grid Corporation of China (No. SGRI-WD-71-13-006).

Numerical Computation of Electric Field and Potential Along Silicone Rubber Insulators Under Contaminated and Dry Band Conditions

NASA Astrophysics Data System (ADS)

Arshad; Nekahi, A.; McMeekin, S. G.; Farzaneh, M.

2016-09-01

Electrical field distribution along the insulator surface is considered one of the important parameters for the performance evaluation of outdoor insulators. In this paper numerical simulations were carried out to investigate the electric field and potential distribution along silicone rubber insulators under various polluted and dry band conditions. Simulations were performed using commercially available simulation package Comsol Multiphysics based on the finite element method. Various pollution severity levels were simulated by changing the conductivity of pollution layer. Dry bands of 2 cm width were inserted at the high voltage end, ground end, middle part, shed, sheath, and at the junction of shed and sheath to investigate the effect of dry band location and width on electric field and potential distribution. Partial pollution conditions were simulated by applying pollution layer on the top and bottom surface respectively. It was observed from the simulation results that electric field intensity was higher at the metal electrode ends and at the junction of dry bands. Simulation results showed that potential distribution is nonlinear in the case of clean and partially polluted insulator and linear for uniform pollution layer. Dry band formation effect both potential and electric field distribution. Power dissipated along the insulator surface and the resultant heat generation was also studied. The results of this study could be useful in the selection of polymeric insulators for contaminated environments.

Simulation of a 5MW wind turbine in an atmospheric boundary layer

NASA Astrophysics Data System (ADS)

Meister, Konrad; Lutz, Thorsten; Krämer, Ewald

2014-12-01

This article presents detached eddy simulation (DES) results of a 5MW wind turbine in an unsteady atmospheric boundary layer. The evaluation performed in this article focuses on turbine blade loads as well as on the influence of atmospheric turbulence and tower on blade loads. Therefore, the turbulence transport of the atmospheric boundary layer to the turbine position is analyzed. To determine the influence of atmospheric turbulence on wind turbines the blade load spectrum is evaluated and compared to wind turbine simulation results with uniform inflow. Moreover, the influences of different frequency regimes and the tower on the blade loads are discussed. Finally, the normal force coefficient spectrum is analyzed at three different radial positions and the influence of tower and atmospheric turbulence is shown.

Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

DOE PAGES

Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; ...

2015-08-27

In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for amore » montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.« less

Numerical Investigation of a Heated, Sheared Planetary Boundary Layer

NASA Astrophysics Data System (ADS)

Liou, Yu-Chieng

1996-01-01

A planetary boundary layer (PBL) developed on 11 July, 1987 during the First International Satellites Land Surface Climatology Project (ISLSCP) Field Experiment (FIFE) is investigated numerically by a two dimensional and a three dimensional large eddy simulation (LES) model. Most of the simulated mean and statistical properties are utilized to compare or verify against the observational results extracted from single Doppler lidar scans conducted by Gal-Chen et al. (1992) on the same day. Through the methods of field measurements and numerical simulations, it is found that this PBL, in contrast to the well-known convective boundary layer (CBL), is driven by not only buoyancy but also wind shear. Large eddies produced by the surface heating, as well as internal gravity waves excited by the convection, are both present in the boundary layer. The most unique feature is that in the stable layer, the momentum flux ({overlinerm u^' w^'}), transported by the gravity waves, is counter-gradient. The occurrence of this phenomenon is interpreted by Gal-Chen et al. (1992) using the theory of critical layer singularity, and is confirmed by the numerical simulations in this study. Qualitative agreements are achieved between the model-generated and lidar-derived results. However, quantitative comparisons are less satisfactory. The most serious discrepancy is that in the stable layer the magnitudes of the observed momentum flux ({overlinerm u^ ' w^'}) and vertical velocity variance ({overlinerm w^'^2}) are much larger than their simulated counterparts. Nevertheless, through the technique of numerical simulation, evidence is collected to show inconsistencies among the observations. Thus, the lidar measurements of {overline rm u^' w^'} and {overlinerm w^ '^2} seem to be doubtful. A Four Dimensional Data Assimilation (FDDA) experiment is performed in order to connect the evolution of the model integration with the observations. The results indicate that the dynamical relaxation (nudging) scheme appears to be an appropriate method by which the observed mean quantities such as mean wind ({overline u}) and potential temperature ({ overlinetheta}) can be assimilated into the model without causing data rejection.

Developing Present-day Proxy Cases Based on NARVAL Data for Investigating Low Level Cloud Responses to Future Climate Change.

NASA Astrophysics Data System (ADS)

Reilly, Stephanie

2017-04-01

The energy budget of the entire global climate is significantly influenced by the presence of boundary layer clouds. The main aim of the High Definition Clouds and Precipitation for Advancing Climate Prediction (HD(CP)2) project is to improve climate model predictions by means of process studies of clouds and precipitation. This study makes use of observed elevated moisture layers as a proxy of future changes in tropospheric humidity. The associated impact on radiative transfer triggers fast responses in boundary layer clouds, providing a framework for investigating this phenomenon. The investigation will be carried out using data gathered during the Next-generation Aircraft Remote-sensing for VALidation (NARVAL) South campaigns. Observational data will be combined with ECMWF reanalysis data to derive the large scale forcings for the Large Eddy Simulations (LES). Simulations will be generated for a range of elevated moisture layers, spanning a multi-dimensional phase space in depth, amplitude, elevation, and cloudiness. The NARVAL locations will function as anchor-points. The results of the large eddy simulations and the observations will be studied and compared in an attempt to determine how simulated boundary layer clouds react to changes in radiative transfer from the free troposphere. Preliminary LES results will be presented and discussed.

Transport of contaminants in the planetary boundary layer

NASA Technical Reports Server (NTRS)

Lee, I. Y.; Swan, P. R.

1978-01-01

A planetary boundary layer model is described and used to simulate PBL phenomena including cloud formation and pollution transport in the San Francisco Bay Area. The effect of events in the PBL on air pollution is considered, and governing equations for the average momentum, potential temperature, water vapor mixing ratio, and air contaminants are presented. These equations are derived by integrating the basic equations vertically through the mixed layer. Characteristics of the day selected for simulation are reported, and the results suggest that the diurnally cyclic features of the mesoscale motion, including clouds and air pollution, can be simulated in a readily interpretable way with the model.

Fracture load and failure analysis of zirconia single crowns veneered with pressed and layered ceramics after chewing simulation.

PubMed

Stawarczyk, Bogna; Ozcan, Mutlu; Roos, Malgorzata; Trottmann, Albert; Hämmerle, Christoph H F

2011-01-01

This study determined the fracture load of zirconia crowns veneered with four overpressed and four layered ceramics after chewing simulation. The veneered zirconia crowns were cemented and subjected to chewing cycling. Subsequently, the specimens were loaded at an angle of 45° in a Universal Testing Machine to determine the fracture load. One-way ANOVA, followed by a post-hoc Scheffé test, t-test and Weibull statistic were performed. Overpressed crowns showed significantly lower fracture load (543-577 N) compared to layered ones (805-1067 N). No statistical difference was found between the fracture loads within the overpressed group. Within the layered groups, LV (1067 N) presented significantly higher results compared to LC (805 N). The mean values of all other groups were not significantly different. Single zirconia crowns veneered with overpressed ceramics exhibited lower fracture load than those of the layered ones after chewing simulation.

Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction

NASA Technical Reports Server (NTRS)

Vyas, Manan A.; Waindim, Mbu; Gaitonde, Datta V.

2016-01-01

Implicit large-eddy simulation (ILES) of a shock wave/boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy transport were accumulated and used to calculate terms like production, dissipation, molecular diffusion, and turbulent transport. The present results for a turbulent boundary layer were validated by comparison with direct numerical simulation data. It was found that a longer development domain was necessary for the boundary layer to reach an equilibrium state and a finer mesh resolution would improve the predictions. In spite of these findings, trends of the present budget match closely with that of the direct numerical simulation. Budgets for the SBLI region are presented at key axial stations. These budgets showed interesting dynamics as the incoming boundary layer transforms and the terms of the turbulent kinetic energy budget change behavior within the interaction region.

Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

NASA Astrophysics Data System (ADS)

Li, Kun; Gu, Boqin; Zhu, Wanfu

2017-03-01

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (Eb). It is shown that the binding energy (Eb) increase with the number of layers.

Modelling of the inner gas and dust coma of comet 67P/Churyumov-Gerasimenko using ROSINA/COPS and OSIRIS data - First results

NASA Astrophysics Data System (ADS)

Marschall, R.; Su, C. C.; Liao, Y.; Thomas, N.; Wu, J. S.; Altwegg, K.; Sierks, H.; Ip, W.-H.; Keller, H. U.; Knollenberg, J.; Kührt, E.; Lai, I. L.; Rubin, M.; Skorov, Y.; Jorda, L.; Preusker, F.; Scholten, F.; Gicquel, A.; Gracia-Berná, A.; Naletto, G.

2015-10-01

The physics of the outflow above the surface of comets is somewhat complex. Ice sublimating into vacuum forms a non-equilibrium boundary layer, the "Knudsen layer" (Kn-layer), with a scale height of #20 mean free paths. If the production rate is low, the Kn-layer becomes infinitely thick and the velocity distribution function (VDF) remains strongly non-Maxwellian. Thus our preferred method for gas dynamics simulations of the coma is Direct Simulation Monte Carlo DSMC. Here we report on the first results of models of the outflow from the Rosetta target, comet67P/Churyumov-Gerasimenko (C-G). Our aims are to (1) determine the gas flow-field of H2O and CO2 in the innermost coma and compare the results to the in-situ measurements of the ROSINA/COPS instrument (2) produce artificial images of the dust brightnesses that can be compared to the OSIRIS cameras. The comparison with ROSINA/COPS and OSIRIS data help to constrain the initial conditions of the simulations and thus yield information on the surface processes.

Resolution requirements for numerical simulations of transition

NASA Technical Reports Server (NTRS)

Zang, Thomas A.; Krist, Steven E.; Hussaini, M. Yousuff

1989-01-01

The resolution requirements for direct numerical simulations of transition to turbulence are investigated. A reliable resolution criterion is determined from the results of several detailed simulations of channel and boundary-layer transition.

Large-Eddy Simulation. Guidelines for Its Application to Planetary Boundary Layer Research

DTIC Science & Technology

1984-08-01

34 engineering application of L98 was Deardorff’s simulation of turbulent channel flow, which was carried out at the National Center for Atmospheric...over the past 20 years, and yet in the perception of some observers * the applications of the resulting basic science to practical problem remain...COVERED -- Large Eddy Simulation: Guidelines for its .0 application to planetary boundary layer research Final Report Oct 83-Aug 84 S. PERFORMING ORG

A random distribution reacting mixing layer model

NASA Technical Reports Server (NTRS)

Jones, Richard A.; Marek, C. John; Myrabo, Leik N.; Nagamatsu, Henry T.

1994-01-01

A methodology for simulation of molecular mixing, and the resulting velocity and temperature fields has been developed. The ideas are applied to the flow conditions present in the NASA Lewis Research Center Planar Reacting Shear Layer (PRSL) facility, and results compared to experimental data. A gaussian transverse turbulent velocity distribution is used in conjunction with a linearly increasing time scale to describe the mixing of different regions of the flow. Equilibrium reaction calculations are then performed on the mix to arrive at a new species composition and temperature. Velocities are determined through summation of momentum contributions. The analysis indicates a combustion efficiency of the order of 80 percent for the reacting mixing layer, and a turbulent Schmidt number of 2/3. The success of the model is attributed to the simulation of large-scale transport of fluid. The favorable comparison shows that a relatively quick and simple PC calculation is capable of simulating the basic flow structure in the reacting and nonreacting shear layer present in the facility given basic assumptions about turbulence properties.

Viscous diffusion of vorticity in unsteady wall layers using the diffusion velocity concept

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

Strickland, J.H.; Kempka, S.N.; Wolfe, W.P.

1995-03-01

The primary purpose of this paper is to provide a careful evaluation of the diffusion velocity concept with regard to its ability to predict the diffusion of vorticity near a moving wall. A computer code BDIF has been written which simulates the evolution of the vorticity field near a wall of infinite length which is moving in an arbitrary fashion. The simulations generated by this code are found to give excellent results when compared to several exact solutions. We also outline a two-dimensional unsteady viscous boundary layer model which utilizes the diffusion velocity concept and is compatible with vortex methods.more » A primary goal of this boundary layer model is to minimize the number of vortices generated on the surface at each time step while achieving good resolution of the vorticity field near the wall. Preliminary results have been obtained for simulating a simple two-dimensional laminar boundary layer.« less

Numerical simulation of mud erosion rate in sand-mud alternate layer and comparison with experiment

NASA Astrophysics Data System (ADS)

Yoshida, T.; Yamaguchi, T.; Oyama, H.; Sato, T.

2015-12-01

For gas production from methane hydrates in sand-mud alternate layers, depressurization method is expected as feasible. After methane hydrate is dissociated, gas and water flow in pore space. There is a concern about the erosion of mud surface and it may result in flow blockage that disturbs the gas production. As a part of a Japanese National hydrate research program (MH21, funded by METI), we developed a numerical simulation of water-induced mud erosion in pore-scale sand-mud domains to model such mud erosion. The size of which is of the order of 100 micro meter. Water flow is simulated using a lattice Boltzmann method (LBM) and mud surface is treated as solid boundary with arbitrary shape, which changes with time. Periodic boundary condition is adopted at the domain boundaries, except for the surface of mud layers and the upper side. Shear stress acting on the mud surface is calculated using a momentum-exchange method. Mud layer is eroded when the shear stress exceeds a threshold coined a critical shear stress. In this study, we compared the simulated mud erosion rate with experimental data acquired from an experiment using artificial sand-mud core. As a result, the simulated erosion rate agrees well with that of the experiment.

Kinetic Monte Carlo simulations of the effect of the exchange control layer thickness in CoPtCrB/CoPtCrSiO granular media

NASA Astrophysics Data System (ADS)

Almudallal, Ahmad M.; Mercer, J. I.; Whitehead, J. P.; Plumer, M. L.; van Ek, J.

2018-05-01

A hybrid Landau Lifshitz Gilbert/kinetic Monte Carlo algorithm is used to simulate experimental magnetic hysteresis loops for dual layer exchange coupled composite media. The calculation of the rate coefficients and difficulties arising from low energy barriers, a fundamental problem of the kinetic Monte Carlo method, are discussed and the methodology used to treat them in the present work is described. The results from simulations are compared with experimental vibrating sample magnetometer measurements on dual layer CoPtCrB/CoPtCrSiO media and a quantitative relationship between the thickness of the exchange control layer separating the layers and the effective exchange constant between the layers is obtained. Estimates of the energy barriers separating magnetically reversed states of the individual grains in zero applied field as well as the saturation field at sweep rates relevant to the bit write speeds in magnetic recording are also presented. The significance of this comparison between simulations and experiment and the estimates of the material parameters obtained from it are discussed in relation to optimizing the performance of magnetic storage media.

Monte Carlo modeling of time-resolved fluorescence for depth-selective interrogation of layered tissue.

PubMed

Pfefer, T Joshua; Wang, Quanzeng; Drezek, Rebekah A

2011-11-01

Computational approaches for simulation of light-tissue interactions have provided extensive insight into biophotonic procedures for diagnosis and therapy. However, few studies have addressed simulation of time-resolved fluorescence (TRF) in tissue and none have combined Monte Carlo simulations with standard TRF processing algorithms to elucidate approaches for cancer detection in layered biological tissue. In this study, we investigate how illumination-collection parameters (e.g., collection angle and source-detector separation) influence the ability to measure fluorophore lifetime and tissue layer thickness. Decay curves are simulated with a Monte Carlo TRF light propagation model. Multi-exponential iterative deconvolution is used to determine lifetimes and fractional signal contributions. The ability to detect changes in mucosal thickness is optimized by probes that selectively interrogate regions superficial to the mucosal-submucosal boundary. Optimal accuracy in simultaneous determination of lifetimes in both layers is achieved when each layer contributes 40-60% of the signal. These results indicate that depth-selective approaches to TRF have the potential to enhance disease detection in layered biological tissue and that modeling can play an important role in probe design optimization. Published by Elsevier Ireland Ltd.

Higher-level simulations of turbulent flows

NASA Technical Reports Server (NTRS)

Ferziger, J. H.

1981-01-01

The fundamentals of large eddy simulation are considered and the approaches to it are compared. Subgrid scale models and the development of models for the Reynolds-averaged equations are discussed as well as the use of full simulation in testing these models. Numerical methods used in simulating large eddies, the simulation of homogeneous flows, and results from full and large scale eddy simulations of such flows are examined. Free shear flows are considered with emphasis on the mixing layer and wake simulation. Wall-bounded flow (channel flow) and recent work on the boundary layer are also discussed. Applications of large eddy simulation and full simulation in meteorological and environmental contexts are included along with a look at the direction in which work is proceeding and what can be expected from higher-level simulation in the future.

Sensitivity of High-Resolution Simulations of Hurricane Bob (1991) to Planetary Boundary Layer Parameterizations

NASA Technical Reports Server (NTRS)

Braun, Scott A.; Tao, Wei-Kuo

1999-01-01

The MM5 mesoscale model is used to simulate Hurricane Bob (1991) using grids nested to high resolution (4 km). Tests are conducted to determine the sensitivity of the simulation to the available planetary boundary layer parameterizations, including the bulk-aerodynamic, Blackadar, Medium-RanGe Forecast (MRF) model, and Burk-Thompson boundary-layer schemes. Significant sensitivity is seen, with minimum central pressures varying by up to 17 mb. The Burk-Thompson and bulk-aerodynamic boundary-layer schemes produced the strongest storms while the MRF scheme produced the weakest storm. Precipitation structure of the simulated hurricanes also varied substantially with the boundary layer parameterizations. Diagnostics of boundary-layer variables indicated that the intensity of the simulated hurricanes generally increased as the ratio of the surface exchange coefficients for heat and momentum, C(sub h)/C(sub M), although the manner in which the vertical mixing takes place was also important. Findings specific to the boundary-layer schemes include: 1) the MRF scheme produces mixing that is too deep and causes drying of the lower boundary layer in the inner-core region of the hurricane; 2) the bulk-aerodynamic scheme produces mixing that is probably too shallow, but results in a strong hurricane because of a large value of C(sub h)/C(sub M) (approximately 1.3); 3) the MRF and Blackadar schemes are weak partly because of smaller surface moisture fluxes that result in a reduced value of C(sub h)/C(sub M) (approximately 0.7); 4) the Burk-Thompson scheme produces a strong storm with C(sub h)/C(sub M) approximately 1; and 5) the formulation of the wind-speed dependence of the surface roughness parameter, z(sub 0), is important for getting appropriate values of the surface exchange coefficients in hurricanes based upon current estimates of these parameters.

An ocean large-eddy simulation of Langmuir circulations and convection in the surface mixed layer

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

Skyllingstad, E.D.; Denbo, D.W.

Numerical experiments were performed using a three-dimensional large-eddy simulation model of the ocean surface mixed layer that includes the Craik-Leibovich vortex force to parameterize the interaction of surface waves with mean currents. Results from the experiments show that the vortex force generates Langmuir circulations that can dominate vertical mixing. The simulated vertical velocity fields show linear, small-scale, coherent structures near the surface that extend downwind across the model domain. In the interior of the mixed layer, scales of motion increase to eddy sizes that are roughly equivalent to the mixed-layer depth. Cases with the vortex force have stronger circulations nearmore » the surface in contrast to cases with only heat flux and wind stress, particularly when the heat flux is positive. Calculations of the velocity variance and turbulence dissipation rates for cases with and without the vortex force, surface cooling, and wind stress indicate that wave-current interactions are a dominant mixing process in the upper mixed layer. Heat flux calculations show that the entrainment rate at the mixed-layer base can be up to two times greater when the vortex force is included. In a case with reduced wind stress, turbulence dissipation rates remained high near the surface because of the vortex force interaction with preexisting inertial currents. In deep mixed layers ({approximately}250 m) the simulations show that Langmuir circulations can vertically transport water 145 m during conditions of surface heating. Observations of turbulence dissipation rates and the vertical temperature structure support the model results. 42 refs., 20 figs., 21 tabs.« less

Lunar regolith stratigraphy analysis based on the simulation of lunar penetrating radar signals

NASA Astrophysics Data System (ADS)

Lai, Jialong; Xu, Yi; Zhang, Xiaoping; Tang, Zesheng

2017-11-01

The thickness of lunar regolith is an important index of evaluating the quantity of lunar resources such as 3He and relative geologic ages. Lunar penetrating radar (LPR) experiment of Chang'E-3 mission provided an opportunity of in situ lunar subsurface structure measurement in the northern mare imbrium area. However, prior work on analyzing LPR data obtained quite different conclusions of lunar regolith structure mainly because of the missing of clear interface reflectors in radar image. In this paper, we utilized finite-difference time-domain (FDTD) method and three models of regolith structures with different rock density, number of layers, shapes of interfaces, and etc. to simulate the LPR signals for the interpretation of radar image. The simulation results demonstrate that the scattering signals caused by numerous buried rocks in the regolith can mask the horizontal reflectors, and the die-out of radar echo does not indicate the bottom of lunar regolith layer and data processing such as migration method could recover some of the subsurface information but also result in fake signals. Based on analysis of simulation results, we conclude that LPR results uncover the subsurface layered structure containing the rework zone with multiple ejecta blankets of small crater, the ejecta blanket of Chang'E-3 crater, and the transition zone and estimate the thickness of the detected layer is about 3.25 m.

INTERLAYER MICROMECHANICS OF THE AORTIC HEART VALVE LEAFLET

PubMed Central

Buchanan, Rachel M.; Sacks, Michael S.

2014-01-01

While the mechanical behaviors of the fibrosa and ventricularis layers of the aortic valve (AV) leaflet are understood, little information exists on their mechanical interactions mediated by the GAG-rich central spongiosa layer. Parametric simulations of the interlayer interactions of the AV leaflets in flexure utilized a tri-layered finite element (FE) model of circumferentially oriented tissue sections to investigate inter-layer sliding hypothesized to occur. Simulation results indicated that the leaflet tissue functions as a tightly bonded structure when the spongiosa effective modulus was at least 25% that of the fibrosa and ventricularis layers. Novel studies that directly measured transmural strain in flexure of AV leaflet tissue specimens validated these findings. Interestingly, a smooth transmural strain distribution indicated that the layers of the leaflet indeed act as a bonded unit, consistent with our previous observations (Stella and Sacks, 2007) of a large number of transverse collagen fibers interconnecting the fibrosa and ventricularis layers. Additionally, when the tri-layered FE model was refined to match the transmural deformations, a layer-specific bimodular material model (resulting in four total moduli) accurately matched the transmural strain and moment-curvature relations simultaneously. Collectively, these results provide evidence, contrary to previous assumptions, that the valve layers function as a bonded structure in the low-strain flexure deformation mode. Most likely, this results directly from the transverse collagen fibers that bind the layers together to disable physical sliding and maintain layer residual stresses. Further, the spongiosa may function as a general dampening layer while the AV leaflets deforms as a homogenous structure despite its heterogeneous architecture. PMID:24292631

The effect of abdominal wall morphology on ultrasonic pulse distortion. Part II. Simulations.

PubMed

Mast, T D; Hinkelman, L M; Orr, M J; Waag, R C

1998-12-01

Wavefront propagation through the abdominal wall was simulated using a finite-difference time-domain implementation of the linearized wave propagation equations for a lossless, inhomogeneous, two-dimensional fluid as well as a simplified straight-ray model for a two-dimensional absorbing medium. Scanned images of six human abdominal wall cross sections provided the data for the propagation media in the simulations. The images were mapped into regions of fat, muscle, and connective tissue, each of which was assigned uniform sound speed, density, and absorption values. Propagation was simulated through each whole specimen as well as through each fat layer and muscle layer individually. Wavefronts computed by the finite-difference method contained arrival time, energy level, and wave shape distortion similar to that in measurements. Straight-ray simulations produced arrival time fluctuations similar to measurements but produced much smaller energy level fluctuations. These simulations confirm that both fat and muscle produce significant wavefront distortion and that distortion produced by fat sections differs from that produced by muscle sections. Spatial correlation of distortion with tissue composition suggests that most major arrival time fluctuations are caused by propagation through large-scale inhomogeneities such as fatty regions within muscle layers, while most amplitude and waveform variations are the result of scattering from smaller inhomogeneities such as septa within the subcutaneous fat. Additional finite-difference simulations performed using uniform-layer models of the abdominal wall indicate that wavefront distortion is primarily caused by tissue structures and inhomogeneities rather than by refraction at layer interfaces or by variations in layer thicknesses.

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.

Photocarrier Radiometry for Non-contact Evaluation of Monocrystalline Silicon Solar Cell Under Low-Energy (< 200 keV) Proton Irradiation

NASA Astrophysics Data System (ADS)

Oliullah, Md.; Liu, J. Y.; Song, P.; Wang, Y.

2018-06-01

A three-layer theoretical model is developed for the characterization of the electronic transport properties (lifetime τ, diffusion coefficient D, and surface recombination velocity s) with energetic particle irradiation on solar cells using non-contact photocarrier radiometry. Monte Carlo (MC) simulation is carried out to obtain the depth profiles of the proton irradiation layer at different low energies (< 200 keV). The monocrystalline silicon (c-Si) solar cells are investigated under different low-energy proton irradiation, and the carrier transport parameters of the three layers are obtained by best-fitting of the experimental results. The results show that the low-energy protons have little influence on the transport parameters of the non-irradiated layer, but high influences on both of the p and n-region irradiation layers which are consisted of MC simulation.

Simulation of electrostatic turbulence in the plasma sheet boundary layer with electron currents and bean-shaped ion beams

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Frank, L. A.; Huang, C. Y.

1988-01-01

Plasma data from ISEE-1 show the presence of electron currents as well as energetic ion beams in the plasma sheet boundary layer. Broadband electrostatic noise and low-frequency electromagnetic bursts are detected in the plasma sheet boundary layer, especially in the presence of strong ion flows, currents, and steep spacial gradients in the fluxes of few-keV electrons and ions. Particle simulations have been performed to investigate electrostatic turbulence driven by a cold electron beam and/or ion beams with a bean-shaped velocity distribution. The simulation results show that the counterstreaming ion beams as well as the counterstreaming of the cold electron beam and the ion beam excite ion acoustic waves with a given Doppler-shifted real frequency. However, the effect of the bean-shaped ion velocity distributions reduces the growth rates of ion acoustic instability. The simulation results also show that the slowing down of the ion bean is larger at the larger perpendicular velocity. The wave spectra of the electric fields at some points of the simulations show turbulence generated by growing waves.

Simulating cosmic radiation absorption and secondary particle production of solar panel layers of Low Earth Orbit (LEO) satellite with GEANT4

NASA Astrophysics Data System (ADS)

Yiǧitoǧlu, Merve; Veske, Doǧa; Nilüfer Öztürk, Zeynep; Bilge Demirköz, Melahat

2016-07-01

All devices which operate in space are exposed to cosmic rays during their operation. The resulting radiation may cause fatal damages in the solid structure of devices and the amount of absorbed radiation dose and secondary particle production for each component should be calculated carefully before the production. Solar panels are semiconductor solid state devices and are very sensitive to radiation. Even a short term power cut-off may yield a total failure of the satellite. Even little doses of radiation can change the characteristics of solar cells. This deviation can be caused by rarer high energetic particles as well as the total ionizing dose from the abundant low energy particles. In this study, solar panels planned for a specific LEO satellite, IMECE, are analyzed layer by layer. The Space Environment Information System (SPENVIS) database and GEANT4 simulation software are used to simulate the layers of the panels. The results obtained from the simulation will be taken in account to determine the amount of radiation protection and resistance needed for the panels or to revise the design of the panels.

Direct Numerical Simulation of Hypersonic Turbulent Boundary Layer inside an Axisymmetric Nozzle

NASA Technical Reports Server (NTRS)

Huang, Junji; Zhang, Chao; Duan, Lian; Choudhari, Meelan M.

2017-01-01

As a first step toward a study of acoustic disturbance field within a conventional, hypersonic wind tunnel, direct numerical simulations (DNS) of a Mach 6 turbulent boundary layer on the inner wall of a straight axisymmetric nozzle are conducted and the results are compared with those for a flat plate. The DNS results for a nozzle radius to boundary-layer thickness ratio of 5:5 show that the turbulence statistics of the nozzle-wall boundary layer are nearly unaffected by the transverse curvature of the nozzle wall. Before the acoustic waves emanating from different parts of the nozzle surface can interfere with each other and undergo reflections from adjacent portions of the nozzle surface, the rms pressure fluctuation beyond the boundary layer edge increases toward the nozzle axis, apparently due to a focusing effect inside the axisymmetric configuration. Spectral analysis of pressure fluctuations at both the wall and the freestream indicates a similar distribution of energy content for both the nozzle and the flat plate, with the peak of the premultiplied frequency spectrum at a frequency of [(omega)(delta)]/U(sub infinity) approximately 6.0 inside the free stream and at [(omega)(delta)]/U(sub infinity) approximately 2.0 along the wall. The present results provide the basis for follow-on simulations involving reverberation effects inside the nozzle.

Inter-layer and intra-layer heat transfer in bilayer/monolayer graphene van der Waals heterostructure: Is there a Kapitza resistance analogous?

NASA Astrophysics Data System (ADS)

Rajabpour, Ali; Fan, Zheyong; Vaez Allaei, S. Mehdi

2018-06-01

Van der Waals heterostructures have exhibited interesting physical properties. In this paper, heat transfer in hybrid coplanar bilayer/monolayer (BL-ML) graphene, as a model layered van der Waals heterostructure, was studied using non-equilibrium molecular dynamics (MD) simulations. The temperature profile and inter- and intra-layer heat fluxes of the BL-ML graphene indicated that, there is no fully developed thermal equilibrium between layers and the drop in the average temperature profile at the step-like BL-ML interface is not attributable to the effect of Kapitza resistance. By increasing the length of the system up to 1 μm in the studied MD simulations, the thermally non-equilibrium region was reduced to a small area near the step-like interface. All MD results were compared to a continuum model and a good match was observed between the two approaches. Our results provide a useful understanding of heat transfer in nano- and micro-scale layered materials and van der Waals heterostructures.

Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2016-07-01

We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

Simulation of cryolipolysis as a novel method for noninvasive fat layer reduction.

PubMed

Majdabadi, Abbas; Abazari, Mohammad

2016-12-20

Regarding previous problems in conventional liposuction methods, the need for development of new fat removal operations was appreciated. In this study we are going to simulate one of the novel methods, cryolipolysis, aimed to tackle those drawbacks. We think that simulation of clinical procedures contributes considerably in efficacious performance of the operations. To do this we have attempted to simulate temperature distribution in a sample fat of the human body. Using Abaqus software we have presented the graphical display of temperature-time variations within the medium. Findings of our simulation indicate that tissue temperature decreases after cold exposure of about 30 min. It can be seen that the minimum temperature of tissue occurs in shallow layers of the sample and the temperature in deeper layers of the sample remains nearly unchanged. It is clear that cold exposure time of more than the specific time (t > 30 min) does not result in considerable changes. Numerous clinical studies have proved the efficacy of cryolipolysis. This noninvasive technique has eliminated some of drawbacks of conventional methods. Findings of our simulation clearly prove the efficiency of this method, especially for superficial fat layers.

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.

Mixing Layer Formation near the Tropopause Due to Gravity Wave Critical Level Interactions in a Cloud-Resolving Model.

NASA Astrophysics Data System (ADS)

Moustaoui, Mohamed; Joseph, Binson; Teitelbaum, Hector

2004-12-01

A plausible mechanism for the formation of mixing layers in the lower stratosphere above regions of tropical convection is demonstrated numerically using high-resolution, two-dimensional (2D), anelastic, nonlinear, cloud-resolving simulations. One noteworthy point is that the mixing layer simulated in this study is free of anvil clouds and well above the cloud anvil top located in the upper troposphere. Hence, the present mechanism is complementary to the well-known process by which overshooting cloud turrets causes mixing within stratospheric anvil clouds. The paper is organized as a case study verifying the proposed mechanism using atmospheric soundings obtained during the Central Equatorial Pacific Experiment (CEPEX), when several such mixing layers, devoid of anvil clouds, had been observed. The basic dynamical ingredient of the present mechanism is (quasi stationary) gravity wave critical level interactions, occurring in association with a reversal of stratospheric westerlies to easterlies below the tropopause region. The robustness of the results is shown through simulations at different resolutions. The insensitivity of the qualitative results to the details of the subgrid scheme is also evinced through further simulations with and without subgrid mixing terms. From Lagrangian reconstruction of (passive) ozone fields, it is shown that the mixing layer is formed kinematically through advection by the resolved-scale (nonlinear) velocity field.

Improvement of light extraction of LYSO scintillator by using a combination of self-assembly of nanospheres and atomic layer deposition.

PubMed

Zhu, Zhichao; Liu, Bo; Zhang, Haifeng; Ren, Weina; Cheng, Chuanwei; Wu, Shuang; Gu, Mu; Chen, Hong

2015-03-23

The self-assembled monolayer periodic array of polystyrene spheres conformally coated with TiO₂ layer using atomic layer deposition is designed to obtain a further enhancement of light extraction for LYSO scintillator. The maximum enhancement is 149% for the sample with polystyrene spheres conformally coated with TiO₂ layer, while the enhancement is only 76% for the sample with only polystyrene spheres. Such further enhancement could be contributed from the additional modes forming by TiO₂ layer due to its high refractive index, which can be approved by the simulation of electric field distribution. The experimental results are agreement with the simulated results. Furthermore, the prepared structured layer exhibits an excellent combination with the surface of scintillator, which is in favor of the practical application. Therefore, it is safely concluded that the combination of self-assembly method and atomic layer deposition is a promising approach to obtain a significant enhancement of light extraction for a large area. This method can be extended to many other luminescent materials and devices.

The Stability and Interfacial Motion of Multi-layer Radial Porous Media and Hele-Shaw Flows

NASA Astrophysics Data System (ADS)

Gin, Craig; Daripa, Prabir

2017-11-01

In this talk, we will discuss viscous fingering instabilities of multi-layer immiscible porous media flows within the Hele-Shaw model in a radial flow geometry. We study the motion of the interfaces for flows with both constant and variable viscosity fluids. We consider the effects of using a variable injection rate on multi-layer flows. We also present a numerical approach to simulating the interface motion within linear theory using the method of eigenfunction expansion. We compare these results with fully non-linear simulations.

Numerical simulation of the control of the three-dimensional transition process in boundary layers

NASA Technical Reports Server (NTRS)

Kral, L. D.; Fasel, H. F.

1990-01-01

Surface heating techniques to control the three-dimensional laminar-turbulent transition process are numerically investigated for a water boundary layer. The Navier-Stokes and energy equations are solved using a fully implicit finite difference/spectral method. The spatially evolving boundary layer is simulated. Results of both passive and active methods of control are shown for small amplitude two-dimensional and three-dimensional disturbance waves. Control is also applied to the early stages of the secondary instability process using passive or active control techniques.

Plasma and wave properties downstream of Martian bow shock: Hybrid simulations and MAVEN observations

NASA Astrophysics Data System (ADS)

Dong, Chuanfei; Winske, Dan; Cowee, Misa; Bougher, Stephen W.; Andersson, Laila; Connerney, Jack; Epley, Jared; Ergun, Robert; McFadden, James P.; Ma, Yingjuan; Toth, Gabor; Curry, Shannon; Nagy, Andrew; Jakosky, Bruce

2015-04-01

Two-dimensional hybrid simulation codes are employed to investigate the kinetic properties of plasmas and waves downstream of the Martian bow shock. The simulations are two-dimensional in space but three dimensional in field and velocity components. Simulations show that ion cyclotron waves are generated by temperature anisotropy resulting from the reflected protons around the Martian bow shock. These proton cyclotron waves could propagate downward into the Martian ionosphere and are expected to heat the O+ layer peaked from 250 to 300 km due to the wave-particle interaction. The proton cyclotron wave heating is anticipated to be a significant source of energy into the thermosphere, which impacts atmospheric escape rates. The simulation results show that the specific dayside heating altitude depends on the Martian crustal field orientations, solar cycles and seasonal variations since both the cyclotron resonance condition and the non/sub-resonant stochastic heating threshold depend on the ambient magnetic field strength. The dayside magnetic field profiles for different crustal field orientation, solar cycle and seasonal variations are adopted from the BATS-R-US Mars multi-fluid MHD model. The simulation results, however, show that the heating of O+ via proton cyclotron wave resonant interaction is not likely in the relatively weak crustal field region, based on our simplified model. This indicates that either the drift motion resulted from the transport of ionospheric O+, or the non/sub-resonant stochastic heating mechanism are important to explain the heating of Martian O+ layer. We will investigate this further by comparing the simulation results with the available MAVEN data. These simulated ion cyclotron waves are important to explain the heating of Martian O+ layer and have significant implications for future observations.

Generating Inviscid and Viscous Fluid Flow Simulations over a Surface Using a Quasi-simultaneous Technique

NASA Technical Reports Server (NTRS)

Sturdza, Peter (Inventor); Martins-Rivas, Herve (Inventor); Suzuki, Yoshifumi (Inventor)

2014-01-01

A fluid-flow simulation over a computer-generated surface is generated using a quasi-simultaneous technique. The simulation includes a fluid-flow mesh of inviscid and boundary-layer fluid cells. An initial fluid property for an inviscid fluid cell is determined using an inviscid fluid simulation that does not simulate fluid viscous effects. An initial boundary-layer fluid property a boundary-layer fluid cell is determined using the initial fluid property and a viscous fluid simulation that simulates fluid viscous effects. An updated boundary-layer fluid property is determined for the boundary-layer fluid cell using the initial fluid property, initial boundary-layer fluid property, and an interaction law. The interaction law approximates the inviscid fluid simulation using a matrix of aerodynamic influence coefficients computed using a two-dimensional surface panel technique and a fluid-property vector. An updated fluid property is determined for the inviscid fluid cell using the updated boundary-layer fluid property.

Simulation of laminate composites degradation using mesoscopic non-local damage model and non-local layered shell element

NASA Astrophysics Data System (ADS)

Germain, Norbert; Besson, Jacques; Feyel, Frédéric

2007-07-01

Simulating damage and failure of laminate composites structures often fails when using the standard finite element procedure. The difficulties arise from an uncontrolled mesh dependence caused by damage localization and an increase in computational costs. One of the solutions to the first problem, widely used to predict the failure of metallic materials, consists of using non-local damage constitutive equations. The second difficulty can then be solved using specific finite element formulations, such as shell element, which decrease the number of degrees of freedom. The main contribution of this paper consists of extending these techniques to layered materials such as polymer matrix composites. An extension of the non-local implicit gradient formulation, accounting for anisotropy and stratification, and an original layered shell element, based on a new partition of the unity, are proposed. Finally the efficiency of the resulting numerical scheme is studied by comparing simulation with experimental results.

Towards Petascale DNS of High Reynolds-Number Turbulent Boundary Layer

NASA Astrophysics Data System (ADS)

Webster, Keegan R.

In flight vehicles, a large portion of fuel consumption is due to skin-friction drag. Reduction of this drag will significantly reduce the fuel consumption of flight vehicles and help our nation to reduce CO 2 emissions. In order to reduce skin-friction drag, an increased understanding of wall-turbulence is needed. Direct numerical simulation (DNS) of spatially developing turbulent boundary layers (SDTBL) can provide the fundamental understanding of wall-turbulence in order to produce models for Reynolds averaged Navier-Stokes (RANS) and large-eddy simulations (LES). DNS of SDTBL over a flat plate at Retheta = 1430 - 2900 were performed. Improvements were made to the DNS code allowing for higher Reynolds number simulations towards petascale DNS of turbulent boundary layers. Mesh refinement and improvements to the inflow and outflow boundary conditions have resulted in turbulence statistics that match more closely to experimental results. The Reynolds stresses and the terms of their evolution equations are reported.

Evaluation of large-eddy simulations forced with mesoscale model output for a multi-week period during a measurement campaign

NASA Astrophysics Data System (ADS)

Heinze, Rieke; Moseley, Christopher; Böske, Lennart Nils; Muppa, Shravan Kumar; Maurer, Vera; Raasch, Siegfried; Stevens, Bjorn

2017-06-01

Large-eddy simulations (LESs) of a multi-week period during the HD(CP)2 (High-Definition Clouds and Precipitation for advancing Climate Prediction) Observational Prototype Experiment (HOPE) conducted in Germany are evaluated with respect to mean boundary layer quantities and turbulence statistics. Two LES models are used in a semi-idealized setup through forcing with mesoscale model output to account for the synoptic-scale conditions. Evaluation is performed based on the HOPE observations. The mean boundary layer characteristics like the boundary layer depth are in a principal agreement with observations. Simulating shallow-cumulus layers in agreement with the measurements poses a challenge for both LES models. Variance profiles agree satisfactorily with lidar measurements. The results depend on how the forcing data stemming from mesoscale model output are constructed. The mean boundary layer characteristics become less sensitive if the averaging domain for the forcing is large enough to filter out mesoscale fluctuations.

Coupling with ocean mixed layer leads to intraseasonal variability in tropical deep convection: Evidence from cloud-resolving simulations

NASA Astrophysics Data System (ADS)

Anber, Usama; Wang, Shuguang; Sobel, Adam

2017-03-01

The effect of coupling a slab ocean mixed layer to atmospheric convection is examined in cloud-resolving model (CRM) simulations in vertically sheared and unsheared environments without Coriolis force, with the large-scale circulation parameterized using the Weak Temperature Gradient (WTG) approximation. Surface fluxes of heat and moisture as well as radiative fluxes are fully interactive, and the vertical profile of domain-averaged horizontal wind is strongly relaxed toward specified profiles with vertical shear that varies from one simulation to the next. Vertical wind shear is found to play a critical role in the simulated behavior. There exists a threshold value of the shear strength above which the coupled system develops regular oscillations between deep convection and dry nonprecipitating states, similar to those found earlier in a much more idealized model which did not consider wind shear. The threshold value of the vertical shear found here varies with the depth of the ocean mixed layer. The time scale of the spontaneously generated oscillations also varies with mixed layer depth, from 10 days with a 1 m deep mixed layer to 50 days with a 10 m deep mixed layer. The results suggest the importance of the interplay between convection organized by vertical wind shear, radiative feedbacks, large-scale dynamics, and ocean mixed layer heat storage in real intraseasonal oscillations.

Desorption of water from hydrophilic MCM-41 mesopores: positron annihilation, FTIR and MD simulation studies.

PubMed

Maheshwari, Priya; Dutta, D; Muthulakshmi, T; Chakraborty, B; Raje, N; Pujari, P K

2017-02-08

The desorption mechanism of water from the hydrophilic mesopores of MCM-41 was studied using positron annihilation lifetime spectroscopy (PALS) and attenuated total reflection Fourier transform infrared spectroscopy supplemented with molecular dynamics (MD) simulation. PALS results indicated that water molecules do not undergo sequential evaporation in a simple layer-by-layer manner during desorption from MCM-41 mesopores. The results suggested that the water column inside the uniform cylindrical mesopore become stretched during desorption and induces cavitation (as seen in the case of ink-bottle type pores) inside it, keeping a dense water layer at the hydrophilic pore wall, as well as a water plug at both the open ends of the cylindrical pore, until the water was reduced to a certain volume fraction where the pore catastrophically empties. Before being emptied, the water molecules formed clusters inside the mesopores. The formation of molecular clusters below a certain level of hydration was corroborated by the MD simulation study. The results are discussed.

Mass and energy transfer across the Earth's magnetopause caused by vortex-induced reconnection: Mass and energy transfer by K-H vortex

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

Nakamura, T. K. M.; Eriksson, S.; Hasegawa, H.

When the interplanetary magnetic field (IMF) is strongly northward, a boundary layer that contains a considerable amount of plasma of magnetosheath origin is often observed along and earthward of the low-latitude magnetopause. Such a pre-existing boundary layer, with a higher density than observed in the adjacent magnetosphere, reduces the local Alfvén speed and allows the Kelvin-Helmholtz instability (KHI) to grow more strongly. We employ a three-dimensional fully kinetic simulation to model an event observed by the Magnetospheric Multiscale (MMS) mission in which the spacecraft detected substantial KH waves between a pre-existing boundary layer and the magnetosheath during strong northward IMF.more » Initial results of this simulation [Nakamura et al., 2017] have successfully demonstrated ion-scale signatures of magnetic reconnection induced by the non-linearly developed KH vortex, which are quantitatively consistent with MMS observations. Furthermore, we quantify the simulated mass and energy transfer processes driven by this vortex-induced reconnection (VIR) and show that during this particular MMS event (i) mass enters a new mixing layer formed by the VIR more efficiently from the pre-existing boundary layer side than from the magnetosheath side, (ii) mixed plasmas within the new mixing layer convect tailward along the magnetopause at more than half the magnetosheath flow speed, and (iii) energy dissipation in localized VIR dissipation regions results in a strong parallel electron heating within the mixing layer. Finally, the quantitative agreements between the simulation and MMS observations allow new predictions that elucidate how the mass and energy transfer processes occur near the magnetopause during strong northward IMF.« less

Why we should care about soft tissue interfaces when applying ultrasonic diathermy: an experimental and computer simulation study.

PubMed

Omena, Thaís Pionório; Fontes-Pereira, Aldo José; Costa, Rejane Medeiros; Simões, Ricardo Jorge; von Krüger, Marco Antônio; Pereira, Wagner Coelho de Albuquerque

2017-01-01

One goal of therapeutic ultrasound is enabling heat generation in tissue. Ultrasound application protocols typically neglect these processes of absorption and backscatter/reflection at the skin/fat, fat/muscle, and muscle/bone interfaces. The aim of this study was to investigate the heating process at interfaces close to the transducer and the bone with the aid of computer simulation and tissue-mimicking materials (phantoms). The experimental setup consists of physiotherapeutic ultrasound equipment for irradiation, two layers of soft tissue-mimicking material, and one with and one without an additional layer of bone-mimicking material. Thermocouple monitoring is used in both cases. A computational model is used with the experimental parameters in a COMSOL® software platform. The experimental results show significant temperature rise (42 °C) at 10 mm depth, regardless of bone layer presence, diverging 3 °C from the simulated values. The probable causes are thermocouple and transducer heating and interface reverberations. There was no statistical difference in the experimental results with and without the cortical bone for the central thermocouple of the first interface [ t (38) = -1.52; 95% CI = -0.85, 0.12; p  = 14]. Temperature rise (>6 °C) close to the bone layer was lower than predicted (>21 °C), possibly because without the bone layer, thermocouples at 30 mm make contact with the water bath and convection intensifies heat loss; this factor was omitted in the simulation model. This work suggests that more attention should be given to soft tissue layer interfaces in ultrasound therapeutic procedures even in the absence of a close bone layer.

Mass and energy transfer across the Earth's magnetopause caused by vortex-induced reconnection: Mass and energy transfer by K-H vortex

DOE PAGES

Nakamura, T. K. M.; Eriksson, S.; Hasegawa, H.; ...

2017-10-23

When the interplanetary magnetic field (IMF) is strongly northward, a boundary layer that contains a considerable amount of plasma of magnetosheath origin is often observed along and earthward of the low-latitude magnetopause. Such a pre-existing boundary layer, with a higher density than observed in the adjacent magnetosphere, reduces the local Alfvén speed and allows the Kelvin-Helmholtz instability (KHI) to grow more strongly. We employ a three-dimensional fully kinetic simulation to model an event observed by the Magnetospheric Multiscale (MMS) mission in which the spacecraft detected substantial KH waves between a pre-existing boundary layer and the magnetosheath during strong northward IMF.more » Initial results of this simulation [Nakamura et al., 2017] have successfully demonstrated ion-scale signatures of magnetic reconnection induced by the non-linearly developed KH vortex, which are quantitatively consistent with MMS observations. Furthermore, we quantify the simulated mass and energy transfer processes driven by this vortex-induced reconnection (VIR) and show that during this particular MMS event (i) mass enters a new mixing layer formed by the VIR more efficiently from the pre-existing boundary layer side than from the magnetosheath side, (ii) mixed plasmas within the new mixing layer convect tailward along the magnetopause at more than half the magnetosheath flow speed, and (iii) energy dissipation in localized VIR dissipation regions results in a strong parallel electron heating within the mixing layer. Finally, the quantitative agreements between the simulation and MMS observations allow new predictions that elucidate how the mass and energy transfer processes occur near the magnetopause during strong northward IMF.« less

Surface plasmon enhanced SWIR absorption at the ultra n-doped substrate/PbSe nanostructure layer interface

NASA Astrophysics Data System (ADS)

Wittenberg, Vladimir; Rosenblit, Michael; Sarusi, Gabby

2017-08-01

This work presents simulation results of the plasmon enhanced absorption that can be achieved in the short wavelength infrared (SWIR - 1200 nm to 1800 nm) spectral range at the interface between ultra-heavily doped substrates and a PbSe nanostructure non-epitaxial growth absorbing layer. The absorption enhancement simulated in this study is due to surface plasmon polariton (SPP) excitation at the interface between these ultra-heavily n-doped GaAs or GaN substrates, which are nearly semimetals to SWIR light, and an absorption layer made of PbSe nano-spheres or nano-columns. The ultra-heavily doped GaAs or GaN substrates are simulated as examples, based on the Drude-Lorentz permittivity model. In the simulation, the substrates and the absorption layer were patterned jointly to forma blazed lattice, and then were back-illuminated using SWIR with a central wavelength of 1500 nm. The maximal field enhancement achieved was 17.4 with a penetration depth of 40 nm. Thus, such architecture of an ultra-heavily doped semiconductor and infrared absorbing layer can further increase the absorption due to the plasmonic enhanced absorption effect in the SWIR spectral band without the need to use a metallic layer as in the case of visible light.

The parameterization of the planetary boundary layer in the UCLA general circulation model - Formulation and results

NASA Technical Reports Server (NTRS)

Suarez, M. J.; Arakawa, A.; Randall, D. A.

1983-01-01

A planetary boundary layer (PBL) parameterization for general circulation models (GCMs) is presented. It uses a mixed-layer approach in which the PBL is assumed to be capped by discontinuities in the mean vertical profiles. Both clear and cloud-topped boundary layers are parameterized. Particular emphasis is placed on the formulation of the coupling between the PBL and both the free atmosphere and cumulus convection. For this purpose a modified sigma-coordinate is introduced in which the PBL top and the lower boundary are both coordinate surfaces. The use of a bulk PBL formulation with this coordinate is extensively discussed. Results are presented from a July simulation produced by the UCLA GCM. PBL-related variables are shown, to illustrate the various regimes the parameterization is capable of simulating.

Inefficient Angular Momentum Transport in Accretion Disk Boundary Layers: Angular Momentum Belt in the Boundary Layer

NASA Astrophysics Data System (ADS)

Belyaev, Mikhail A.; Quataert, Eliot

2018-04-01

We present unstratified 3D MHD simulations of an accretion disk with a boundary layer (BL) that have a duration ˜1000 orbital periods at the inner radius of the accretion disk. We find the surprising result that angular momentum piles up in the boundary layer, which results in a rapidly rotating belt of accreted material at the surface of the star. The angular momentum stored in this belt increases monotonically in time, which implies that angular momentum transport mechanisms in the BL are inefficient and do not couple the accretion disk to the star. This is in spite of the fact that magnetic fields are advected into the BL from the disk and supersonic shear instabilities in the BL excite acoustic waves. In our simulations, these waves only carry a small fraction (˜10%) of the angular momentum required for steady state accretion. Using analytical theory and 2D viscous simulations in the R - ϕ plane, we derive an analytical criterion for belt formation to occur in the BL in terms of the ratio of the viscosity in the accretion disk to the viscosity in the BL. Our MHD simulations have a dimensionless viscosity (α) in the BL that is at least a factor of ˜100 smaller than that in the disk. We discuss the implications of these results for BL dynamics and emission.

Wetting-layer formation mechanisms of surface-directed phase separation under different quench depths with off-critical compositions in polymer binary mixture

NASA Astrophysics Data System (ADS)

Yan, Li-Tang; Xie, Xu-Ming

2007-02-01

Focusing on the off-critical condition, the quench depth dependence of surface-directed phase separation in the polymer binary mixture is numerically investigated by combination of the Cahn-Hilliard-Cook theory and the Flory-Huggins-de Gennes theory. Two distinct situations, i.e., for the wetting, the minority component is preferred by the surface and the majority component is preferred by the surface, are discussed in detail. The simulated results show that the formation mechanism of the wetting layer is affected by both the quench depth and the off-critical extent. Moreover, a diagram, illustrating the formation mechanisms of the wetting layer with various quench depths and compositions, is obtained on the basis of the simulated results. It is found that, when the minority component is preferred by the surface, the growth of the wetting layer can exhibit pure diffusion limited growth law, logarithmic growth law, and Lifshitz-Slyozov growth law. However, when the majority component is preferred by the surface, the wetting layer always grows logarithmically, regardless of the quench depth and the off-critical extent. It is interesting that the surface-induced nucleation can be observed in this case. The simulated results demonstrate that the surface-induced nucleation only occurs below a certain value of the quench depth, and a detailed range about it is calculated and indicated. Furthermore, the formation mechanisms of the wetting layer are theoretically analyzed in depth by the chemical potential gradient.

Sound-turbulence interaction in transonic boundary layers

NASA Astrophysics Data System (ADS)

Lelostec, Ludovic; Scalo, Carlo; Lele, Sanjiva

2014-11-01

Acoustic wave scattering in a transonic boundary layer is investigated through a novel approach. Instead of simulating directly the interaction of an incoming oblique acoustic wave with a turbulent boundary layer, suitable Dirichlet conditions are imposed at the wall to reproduce only the reflected wave resulting from the interaction of the incident wave with the boundary layer. The method is first validated using the laminar boundary layer profiles in a parallel flow approximation. For this scattering problem an exact inviscid solution can be found in the frequency domain which requires numerical solution of an ODE. The Dirichlet conditions are imposed in a high-fidelity unstructured compressible flow solver for Large Eddy Simulation (LES), CharLESx. The acoustic field of the reflected wave is then solved and the interaction between the boundary layer and sound scattering can be studied.

Model test on partial expansion in stratified subsidence during foundation pit dewatering

NASA Astrophysics Data System (ADS)

Wang, Jianxiu; Deng, Yansheng; Ma, Ruiqiang; Liu, Xiaotian; Guo, Qingfeng; Liu, Shaoli; Shao, Yule; Wu, Linbo; Zhou, Jie; Yang, Tianliang; Wang, Hanmei; Huang, Xinlei

2018-02-01

Partial expansion was observed in stratified subsidence during foundation pit dewatering. However, the phenomenon was suspected to be an error because the compression of layers is known to occur when subsidence occurs. A slice of the subsidence cone induced by drawdown was selected as the prototype. Model tests were performed to investigate the phenomenon. The underlying confined aquifer was generated as a movable rigid plate with a hinge at one end. The overlying layers were simulated with remolded materials collected from a construction site. Model tests performed under the conceptual model indicated that partial expansion occurred in stratified settlements under coordination deformation and consolidation conditions. During foundation pit dewatering, rapid drawdown resulted in rapid subsidence in the dewatered confined aquifer. The rapidly subsiding confined aquifer top was the bottom deformation boundary of the overlying layers. Non-coordination deformation was observed at the top and bottom of the subsiding overlying layers. The subsidence of overlying layers was larger at the bottom than at the top. The layers expanded and became thicker. The phenomenon was verified using numerical simulation method based on finite difference method. Compared with numerical simulation results, the boundary effect of the physical tests was obvious in the observation point close to the movable endpoint. The tensile stress of the overlying soil layers induced by the underlying settlement of dewatered confined aquifer contributed to the expansion phenomenon. The partial expansion of overlying soil layers was defined as inversed rebound. The inversed rebound was induced by inversed coordination deformation. Compression was induced by the consolidation in the overlying soil layers because of drainage. Partial expansion occurred when the expansion exceeded the compression. Considering the inversed rebound, traditional layer-wise summation method for calculating subsidence should be revised and improved.

Impact of the Diurnal Cycle of the Atmospheric Boundary Layer on Wind-Turbine Wakes: A Numerical Modelling Study

NASA Astrophysics Data System (ADS)

Englberger, Antonia; Dörnbrack, Andreas

2018-03-01

The wake characteristics of a wind turbine for different regimes occurring throughout the diurnal cycle are investigated systematically by means of large-eddy simulation. Idealized diurnal cycle simulations of the atmospheric boundary layer are performed with the geophysical flow solver EULAG over both homogeneous and heterogeneous terrain. Under homogeneous conditions, the diurnal cycle significantly affects the low-level wind shear and atmospheric turbulence. A strong vertical wind shear and veering with height occur in the nocturnal stable boundary layer and in the morning boundary layer, whereas atmospheric turbulence is much larger in the convective boundary layer and in the evening boundary layer. The increased shear under heterogeneous conditions changes these wind characteristics, counteracting the formation of the night-time Ekman spiral. The convective, stable, evening, and morning regimes of the atmospheric boundary layer over a homogeneous surface as well as the convective and stable regimes over a heterogeneous surface are used to study the flow in a wind-turbine wake. Synchronized turbulent inflow data from the idealized atmospheric boundary-layer simulations with periodic horizontal boundary conditions are applied to the wind-turbine simulations with open streamwise boundary conditions. The resulting wake is strongly influenced by the stability of the atmosphere. In both cases, the flow in the wake recovers more rapidly under convective conditions during the day than under stable conditions at night. The simulated wakes produced for the night-time situation completely differ between heterogeneous and homogeneous surface conditions. The wake characteristics of the transitional periods are influenced by the flow regime prior to the transition. Furthermore, there are different wake deflections over the height of the rotor, which reflect the incoming wind direction.

Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study.

PubMed

Iwahashi, Takashi; Ishiyama, Tatsuya; Sakai, Yasunari; Morita, Akihiro; Kim, Doseok; Ouchi, Yukio

2015-10-14

IR-visible sum-frequency generation (IV-SFG) vibrational spectroscopy and a molecular dynamics (MD) simulation were used to study the local layering order at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6), a room-temperature ionic liquid (RTIL). The presence of a local non-polar layer at the interface of the two polar liquids was successfully demonstrated. In the SFG spectra of 1-butanol-d9, we observed significant reduction and enhancement in the strength of the CD3 symmetric stretching (r(+)) mode and the antisymmetric stretching (r(-)) mode peaks, respectively. The results can be well explained by the presence of an oppositely oriented quasi-bilayer structure of butanol molecules, where the bottom layer is strongly bound by hydrogen-bonding with the PF6(-) anion. MD simulations reveal that the hydrogen-bonding of butanol with the PF6(-) anion causes the preferential orientation of the butanols; the restriction on the rotational distribution of the terminal methyl group along their C3 axis enhances the r(-) mode. As for the [bmim](+) cations, the SFG spectra taken within the CH stretch region indicate that the butyl chain of [bmim](+) points away from the bulk RTIL phase to the butanol phase at the interface. Combining the SFG spectroscopy and MD simulation results, we propose an interfacial model structure of layering, in which the butyl chains of the butanol molecules form a non-polar interfacial layer with the butyl chains of the [bmim](+) cations at the interface.

Ablation of gold irradiated by femtosecond laser pulse: Experiment and modeling

NASA Astrophysics Data System (ADS)

Ashitkov, S. I.; Komarov, P. S.; Zhakhovsky, V. V.; Petrov, Yu V.; Khokhlov, V. A.; Yurkevich, A. A.; Ilnitsky, D. K.; Inogamov, N. A.; Agranat, M. B.

2016-11-01

We report on the ablation phenomena in gold sample irradiated by femtosecond laser pulses of moderate intensity. Dynamics of optical constants and expansion of a heated surface layer was investigated in a range from picosecond up to subnanosecond using ultrafast interferometry. Also morphology of the ablation craters and value of an ablation threshold (for absorbed fluence) were measured. The experimental data are compared with simulations of mass flows obtained by two-temperature hydrodynamics and molecular dynamics methods. Simulation shows evolution of a thin surface layer pressurized by a laser pulse. Unloading of the pressurized layer proceeds together with electron-ion thermalization, melting, cavitation and spallation of a part of surface liquid layer. The experimental and simulation results on two-temperature physics and on a fracture, surface morphology and strength of liquid gold at a strain rate ∼ 109 s-1 are discussed.

Comparison of Measured and Numerically Simulated Turbulence Statistics in a Convective Boundary Layer Over Complex Terrain

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

Rai, Raj K.; Berg, Larry K.; Kosović, Branko

High resolution numerical simulation can provide insight into important physical processes that occur within the planetary boundary layer (PBL). The present work employs large eddy simulation (LES) using the Weather Forecasting and Research (WRF) model, with the LES domain nested within mesoscale simulation, to simulate real conditions in the convective PBL over an area of complex terrain. A multiple nesting approach has been used to downsize the grid spacing from 12.15 km (mesoscale) to 0.03 km (LES). A careful selection of grid spacing in the WRF Meso domain has been conducted to minimize artifacts in the WRF-LES solutions. The WRF-LESmore » results have been evaluated with in situ and remote sensing observations collected during the US Department of Energy-supported Columbia BasinWind Energy Study (CBWES). Comparison of the first- and second-order moments, turbulence spectrum, and probability density function (PDF) of wind speed shows good agreement between the simulations and data. Furthermore, the WRF-LES variables show a great deal of variability in space and time caused by the complex topography in the LES domain. The WRF-LES results show that the flow structures, such as roll vortices and convective cells, vary depending on both the location and time of day. In addition to basic studies related to boundary-layer meteorology, results from these simulations can be used in other applications, such as studying wind energy resources, atmospheric dispersion, fire weather etc.« less

Effect of p-GaN layer doping on the photoresponse of GaN-based p-i-n ultraviolet photodetectors

NASA Astrophysics Data System (ADS)

Wang, Jun; Guo, Jin; Xie, Feng; Wang, Wanjun; Wang, Guosheng; Wu, Haoran; Wang, Tanglin; Song, Man

2015-08-01

We report on two-dimensional (2D) numerical simulations of photoresponse characteristics for GaN based p-i-n ultraviolet (UV) photodetectors. Effects of doping density of p-GaN layer on the photoresponse have been investigated. In order to accurately simulate the device performance, the theoretical calculation includes doping-dependent mobility degradation by Arora model and high field saturation model. Theoretical modeling shows that the doping density of p- GaN layer can significantly affect the photoresponse of GaN based p-i-n UV photodetectors, especially at schottky contact. We have to make a suitable choice of the doping in the device design according to the simulation results.

Spectroscopic ellipsometry for analysis of polycrystalline thin-film photovoltaic devices and prediction of external quantum efficiency

NASA Astrophysics Data System (ADS)

Ibdah, Abdel-Rahman; Koirala, Prakash; Aryal, Puruswottam; Pradhan, Puja; Marsillac, Sylvain; Rockett, Angus A.; Podraza, Nikolas J.; Collins, Robert W.

2017-11-01

Complete polycrystalline thin-film photovoltaic (PV) devices employing CuIn1-xGaxSe2/CdS and CdS/CdTe heterojunctions have been studied by ex situ spectroscopic ellipsometry (SE). In this study, layer thicknesses have been extracted along with photon energy independent parameters such as compositions that describe the dielectric function spectra ε(E) of the individual layers. For accurate ex situ SE analysis of these PV devices, a database of ε(E) spectra is required for all thin film component materials used in each of the two absorber technologies. When possible, database measurements are performed by applying SE in situ immediately after deposition of the thin film materials and after cooling to room temperature in order to avoid oxidation and surface contamination. Determination of ε(E) from the resulting in situ SE data requires structural information that can be obtained from analysis of SE data acquired in real time during the deposition process. From the results of ex situ analysis of the complete CuIn1-xGaxSe2 (CIGS) and CdTe PV devices, the deduced layer thicknesses in combination with the parameters describing ε(E) can be employed in further studies that simulate the external quantum efficiency (EQE) spectra of the devices. These simulations have been performed here by assuming that all electron-hole pairs generated within the active layers, i.e. layers incorporating a dominant absorber component (either CIGS or CdTe), are separated and collected. The active layers may include not only the bulk absorber but also window and back contact interface layers, and individual current contributions from these layers have been determined in the simulations. In addition, the ex situ SE analysis results enable calculation of the absorbance spectra for the inactive layers and the overall reflectance spectra, which lead to quantification of all optical losses in terms of a current density deficit. Mapping SE can be performed given the high speed of multichannel ellipsometers employing array detection, and the resulting EQE simulation capability has wide applications in predicting large area PV module output. The ultimate goal is an on-line capability that enables prediction of PV sub-cell current output as early as possible in the production process.

Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear Layer

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Singer, Bart A.; Berkman, Mert E.

2001-01-01

A detailed computational aeroacoustic analysis of a high-lift flow field is performed. Time-accurate Reynolds Averaged Navier-Stokes (RANS) computations simulate the free shear layer that originates from the slat cusp. Both unforced and forced cases are studied. Preliminary results show that the shear layer is a good amplifier of disturbances in the low to mid-frequency range. The Ffowcs-Williams and Hawkings equation is solved to determine the acoustic field using the unsteady flow data from the RANS calculations. The noise radiated from the excited shear layer has a spectral shape qualitatively similar to that obtained from measurements in a corresponding experimental study of the high-lift system.

Numerical Simulation of a Spatially Evolving Supersonic Turbulent Boundary Layer

NASA Technical Reports Server (NTRS)

Gatski, T. B.; Erlebacher, G.

2002-01-01

The results from direct numerical simulations of a spatially evolving, supersonic, flat-plate turbulent boundary-layer flow, with free-stream Mach number of 2.25 are presented. The simulated flow field extends from a transition region, initiated by wall suction and blowing near the inflow boundary, into the fully turbulent regime. Distributions of mean and turbulent flow quantities are obtained and an analysis of these quantities is performed at a downstream station corresponding to Re(sub x)= 5.548 x10(exp 6) based on distance from the leading edge.

A New Kinetic Simulation Model with Self-Consistent Calculation of Regolith Layer Charging for Moon-Plasma Interactions

NASA Astrophysics Data System (ADS)

Han, D.; Wang, J.

2015-12-01

The moon-plasma interactions and the resulting surface charging have been subjects of extensive recent investigations. While many particle-in-cell (PIC) based simulation models have been developed, all existing PIC simulation models treat the surface of the Moon as a boundary condition to the plasma flow. In such models, the surface of the Moon is typically limited to simple geometry configurations, the surface floating potential is calculated from a simplified current balance condition, and the electric field inside the regolith layer cannot be resolved. This paper presents a new full particle PIC model to simulate local scale plasma flow and surface charging. A major feature of this new model is that the surface is treated as an "interface" between two mediums rather than a boundary, and the simulation domain includes not only the plasma but also the regolith layer and the bedrock underneath it. There are no limitations on the surface shape. An immersed-finite-element field solver is applied which calculates the regolith surface floating potential and the electric field inside the regolith layer directly from local charge deposition. The material property of the regolith layer is also explicitly included in simulation. This new model is capable of providing a self-consistent solution to the plasma flow field, lunar surface charging, the electric field inside the regolith layer and the bedrock for realistic surface terrain. This new model is applied to simulate lunar surface-plasma interactions and surface charging under various ambient plasma conditions. The focus is on the lunar terminator region, where the combined effects from the low sun elevation angle and the localized plasma wake generated by plasma flow over a rugged terrain can generate strongly differentially charged surfaces and complex dust dynamics. We discuss the effects of the regolith properties and regolith layer charging on the plasma flow field, dust levitation, and dust transport.

Prediction of 4H-SiC betavoltaic microbattery characteristics based on practical Ni-63 sources.

PubMed

Gui, Gui; Zhang, Kan; Blanchard, James P; Ma, Zhenqiang

2016-01-01

We have investigated the performance of 4H-SiC betavoltaic microbatteries under exposure to the practical Ni-63 sources using the Monte Carlo method and Synopsys® Medici device simulator. A typical planar p-n junction betavoltaic device with the Ni-63 source of 20% purity on top is modeled in the simulation. The p-n junction structure includes a p+ layer, a p- layer, an n+ layer, and an n- layer. In order to obtain an accurate and valid predication, our simulations consider several practical factors, including isotope impurities, self-absorption, and full beta energy spectra. By simulating the effects of both the p-n junction configuration and the isotope source thickness on the battery output performance, we have achieved the optimal design of the device and maximum energy conversion efficiency. Our simulation results show that the energy conversion efficiency increases as the doping concentration and thickness of the p- layer increase, whereas it is independent of the total depth of the p-n junction. Furthermore, the energy conversion efficiency decreases as the thickness of the practical Ni-63 source increases, because of self-absorption in the isotope source. Therefore, we propose that a p-n junction betavoltaic cell with a thicker and heavily doped p- layer under exposure to a practical Ni-63 source with an appreciable thickness could produce the optimal energy conversion efficiency. Copyright © 2015 Elsevier Ltd. All rights reserved.

Physical modeling of the atmospheric boundary layer in the UNH Flow Physics Facility

NASA Astrophysics Data System (ADS)

Taylor-Power, Gregory; Gilooly, Stephanie; Wosnik, Martin; Klewicki, Joe; Turner, John

2016-11-01

The Flow Physics Facility (FPF) at UNH has test section dimensions W =6.0m, H =2.7m, L =72m. It can achieve high Reynolds number boundary layers, enabling turbulent boundary layer, wind energy and wind engineering research with exceptional spatial and temporal instrument resolution. We examined the FPF's ability to experimentally simulate different types of the atmospheric boundary layer (ABL) using upstream roughness arrays. The American Society for Civil Engineers defines standards for simulating ABLs for different terrain types, from open sea to dense city areas (ASCE 49-12). The standards require the boundary layer to match a power law shape, roughness height, and power spectral density criteria. Each boundary layer type has a corresponding power law exponent and roughness height. The exponent and roughness height both increase with increasing roughness. A suburban boundary layer was chosen for simulation and a roughness element fetch was created. Several fetch lengths were experimented with and the resulting boundary layers were measured and compared to standards in ASCE 49-12: Wind Tunnel Testing for Buildings and Other Structures. Pitot tube and hot wire anemometers were used to measure average and fluctuating flow characteristics. Velocity profiles, turbulence intensity and velocity spectra were found to compare favorably.

Simulation of the planetary boundary layer with the UCLA general circulation model

NASA Technical Reports Server (NTRS)

Suarez, M. J.; Arakawa, A.; Randall, D. A.

1981-01-01

A planetary boundary layer (PBL) model is presented which employs a mixed layer entrainment formulation to describe the mass exchange between the mixed layer with the upper, laminar atmosphere. A modified coordinate system couples the mixed layer model with large scale and sub-grid scale processes of a general circulation model. The vertical coordinate is configured as a sigma coordinate with the lower boundary, the top of the PBL, and the prescribed pressure level near the tropopause expressed as coordinate surfaces. The entrainment mass flux is parameterized by assuming the dissipation rate of turbulent kinetic energy to be proportional to the positive part of the generation by convection or mechanical production. The results of a simulation of July are presented for the entire globe.

Monte Carlo simulations of ABC stacked kagome lattice films

NASA Astrophysics Data System (ADS)

Yerzhakov, H. V.; Plumer, M. L.; Whitehead, J. P.

2016-05-01

Properties of films of geometrically frustrated ABC stacked antiferromagnetic kagome layers are examined using Metropolis Monte Carlo simulations. The impact of having an easy-axis anisotropy on the surface layers and cubic anisotropy in the interior layers is explored. The spin structure at the surface is shown to be different from that of the bulk 3D fcc system, where surface axial anisotropy tends to align spins along the surface [1 1 1] normal axis. This alignment then propagates only weakly to the interior layers through exchange coupling. Results are shown for the specific heat, magnetization and sub-lattice order parameters for both surface and interior spins in three and six layer films as a function of increasing axial surface anisotropy. Relevance to the exchange bias phenomenon in IrMn3 films is discussed.

Coronal heating by the resonant absorption of Alfven waves - Importance of the global mode and scaling laws

NASA Technical Reports Server (NTRS)

Steinolfson, Richard S.; Davila, Joseph M.

1993-01-01

Numerical simulations of the MHD equations for a fully compressible, low-beta, resistive plasma are used to study the resonance absorption process for the heating of coronal active region loops. Comparisons with more approximate analytic models show that the major predictions of the analytic theories are, to a large extent, confirmed by the numerical computations. The simulations demonstrate that the dissipation occurs primarily in a thin resonance layer. Some of the analytically predicted features verified by the simulations are (a) the position of the resonance layer within the initial inhomogeneity; (b) the importance of the global mode for a large range of loop densities; (c) the dependence of the resonance layer thickness and the steady-state heating rate on the dissipation coefficient; and (d) the time required for the resonance layer to form. In contrast with some previous analytic and simulation results, the time for the loop to reach a steady state is found to be the phase-mixing time rather than a dissipation time. This disagreement is shown to result from neglect of the existence of the global mode in some of the earlier analyses. The resonant absorption process is also shown to behave similar to a classical driven harmonic oscillator.

Investigation of Gas Seeding for Planar Laser-Induced Fluorescence in Hypersonic Boundary Layers

NASA Technical Reports Server (NTRS)

Arisman, C. J.; Johansen, C. T.; Bathel, B. F.; Danehy, P. M.

2015-01-01

Numerical simulations of the gas-seeding strategies required for planar laser-induced fluorescence in a Mach 10 (approximately Mach 8.2 postshock) airflow were performed. The work was performed to understand and quantify the adverse effects associated with gas seeding and to assess various types of seed gas that could potentially be used in future experiments. In prior experiments, NO and NO2 were injected through a slot near the leading edge of a flatplate wedge model used in NASA Langley Research Center's 31 in. Mach 10 air tunnel facility. In this paper, nitric oxide, krypton, and iodine gases were simulated at various injection rates. Simulations showing the deflection of the velocity boundary layer for each of the cases are presented. Streamwise distributions of velocity and concentration boundary-layer thicknesses, as well as vertical distributions of velocity, temperature, and mass distributions, are presented for each of the cases. A comparison between simulated streamwise velocity profiles and experimentally obtained molecular tagging velocimetry profiles using a nitric oxide seeding strategy is performed to verify the influence of such a strategy on the boundary layer. The relative merits of the different seeding strategies are discussed. The results from a custom solver based on OpenFOAM version 2.2.1 are compared against results obtained from ANSYS® Fluent version 6.3.

Simulation and Implementation of a Morphology-Tuned Gold Nano-Islands Integrated Plasmonic Sensor

PubMed Central

Ozhikandathil, Jayan; Packirisamy, Muthukumaran

2014-01-01

This work presents simulation, analysis and implementation of morphology tuning of gold nano-island structures deposited by a novel convective assembly technique. The gold nano-islands were simulated using 3D Finite-Difference Time-Domain (FDTD) techniques to investigate the effect of morphological changes and adsorption of protein layers on the localized surface plasmon resonance (LSPR) properties. Gold nano-island structures were deposited on glass substrates by a novel and low-cost convective assembly process. The structure formed by an uncontrolled deposition method resulted in a nano-cluster morphology, which was annealed at various temperatures to tune the optical absorbance properties by transforming the nano-clusters to a nano-island morphology by modifying the structural shape and interparticle separation distances. The dependence of the size and the interparticle separation distance of the nano-islands on the LSPR properties were analyzed in the simulation. The effect of adsorption of protein layer on the nano-island structures was simulated and a relation between the thickness and the refractive index of the protein layer on the LSPR peak was presented. Further, the sensitivity of the gold nano-island integrated sensor against refractive index was computed and compared with the experimental results. PMID:24932868

Evaluation of urban surface parameterizations in the WRF model using measurements during the Texas Air Quality Study 2006 field campaign

NASA Astrophysics Data System (ADS)

Lee, S.-H.; Kim, S.-W.; Angevine, W. M.; Bianco, L.; McKeen, S. A.; Senff, C. J.; Trainer, M.; Tucker, S. C.; Zamora, R. J.

2010-10-01

The impact of urban surface parameterizations in the WRF (Weather Research and Forecasting) model on the simulation of local meteorological fields is investigated. The Noah land surface model (LSM), a modified LSM, and a single-layer urban canopy model (UCM) have been compared, focusing on urban patches. The model simulations were performed for 6 days from 12 August to 17 August during the Texas Air Quality Study 2006 field campaign. Analysis was focused on the Houston-Galveston metropolitan area. The model simulated temperature, wind, and atmospheric boundary layer (ABL) height were compared with observations from surface meteorological stations (Continuous Ambient Monitoring Stations, CAMS), wind profilers, the NOAA Twin Otter aircraft, and the NOAA Research Vessel Ronald H. Brown. The UCM simulation showed better results in the comparison of ABL height and surface temperature than the LSM simulations, whereas the original LSM overestimated both the surface temperature and ABL height significantly in urban areas. The modified LSM, which activates hydrological processes associated with urban vegetation mainly through transpiration, slightly reduced warm and high biases in surface temperature and ABL height. A comparison of surface energy balance fluxes in an urban area indicated the UCM reproduces a realistic partitioning of sensible heat and latent heat fluxes, consequently improving the simulation of urban boundary layer. However, the LSMs have a higher Bowen ratio than the observation due to significant suppression of latent heat flux. The comparison results suggest that the subgrid heterogeneity by urban vegetation and urban morphological characteristics should be taken into account along with the associated physical parameterizations for accurate simulation of urban boundary layer if the region of interest has a large fraction of vegetation within the urban patch. Model showed significant discrepancies in the specific meteorological conditions when nocturnal low-level jets exist and a thermal internal boundary layer over water forms.

Large-Eddy Simulation of the Flat-plate Turbulent Boundary Layer at High Reynolds numbers

NASA Astrophysics Data System (ADS)

Inoue, Michio

The near-wall, subgrid-scale (SGS) model [Chung and Pullin, "Large-eddy simulation and wall-modeling of turbulent channel flow'', J. Fluid Mech. 631, 281--309 (2009)] is used to perform large-eddy simulations (LES) of the incompressible developing, smooth-wall, flat-plate turbulent boundary layer. In this model, the stretched-vortex, SGS closure is utilized in conjunction with a tailored, near-wall model designed to incorporate anisotropic vorticity scales in the presence of the wall. The composite SGS-wall model is presently incorporated into a computer code suitable for the LES of developing flat-plate boundary layers. This is then used to study several aspects of zero- and adverse-pressure gradient turbulent boundary layers. First, LES of the zero-pressure gradient turbulent boundary layer are performed at Reynolds numbers Retheta based on the free-stream velocity and the momentum thickness in the range Retheta = 103-1012. Results include the inverse skin friction coefficient, 2/Cf , velocity profiles, the shape factor H, the Karman "constant", and the Coles wake factor as functions of Re theta. Comparisons with some direct numerical simulation (DNS) and experiment are made, including turbulent intensity data from atmospheric-layer measurements at Retheta = O (106). At extremely large Retheta , the empirical Coles-Fernholz relation for skin-friction coefficient provides a reasonable representation of the LES predictions. While the present LES methodology cannot of itself probe the structure of the near-wall region, the present results show turbulence intensities that scale on the wall-friction velocity and on the Clauser length scale over almost all of the outer boundary layer. It is argued that the LES is suggestive of the asymptotic, infinite Reynolds-number limit for the smooth-wall turbulent boundary layer and different ways in which this limit can be approached are discussed. The maximum Retheta of the present simulations appears to be limited by machine precision and it is speculated, but not demonstrated, that even larger Retheta could be achieved with quad- or higher-precision arithmetic. Second, the time series velocity signals obtained from LES within the logarithmic region of the zero-pressure gradient turbulent boundary layer are used in combination with an empirical, predictive inner--outer wall model [Marusic et al., "Predictive model for wall-bounded turbulent flow'', Science 329, 193 (2010)] to calculate the statistics of the fluctuating streamwise velocity in the inner region of the zero-pressure gradient turbulent boundary layer. Results, including spectra and moments up to fourth order, are compared with equivalent predictions using experimental time series, as well as with direct experimental measurements at Reynolds numbers Retau based on the friction velocity and the boundary layer thickness, Retau = 7,300, 13,600 and 19,000. LES combined with the wall model are then used to extend the inner-layer predictions to Reynolds numbers Retau = 62,000, 100,000 and 200,000 that lie within a gap in log(Retau) space between laboratory measurements and surface-layer, atmospheric experiments. The present results support a log-like increase in the near-wall peak of the streamwise turbulence intensities with Retau and also provide a means of extending LES results at large Reynolds numbers to the near-wall region of wall-bounded turbulent flows. Finally, we apply the wall model to LES of a turbulent boundary layer subject to an adverse pressure gradient. Computed statistics are found to be consistent with recent experiments and some Reynolds number similarity is observed over a range of two orders of magnitude.

Designs of infrared nonpolarizing beam splitters with a Ag layer in a glass cube.

PubMed

Shi, Jin Hui; Wang, Zheng Ping

2008-05-10

A novel design of a nonpolarizing beam splitter with a Ag layer in a cube was proposed and optimized, based on the needle optimization. The digital simulations of the reflectance and reflection-induced retardance were presented. The simulation results showed that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets. The difference between the simulated and the target reflectance of 50% is less than 0.4% and the simulated and the reflection-induced retardance is less than 0.62 degrees in the 1260 -1360 nm range for both p and s components.

Simulation of electric double-layer capacitors: evaluation of constant potential method

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Laird, Brian; Yang, Yang; Olmsted, David; Asta, Mark

2014-03-01

Atomistic simulations can play an important role in understanding electric double-layer capacitors (EDLCs) at a molecular level. In such simulations, typically the electrode surface is modeled using fixed surface charges, which ignores the charge fluctuation induced by local fluctuations in the electrolyte solution. In this work we evaluate an explicit treatment of charges, namely constant potential method (CPM)[1], in which the electrode charges are dynamically updated to maintain constant electrode potential. We employ a model system with a graphite electrode and a LiClO4/acetonitrile electrolyte, examined as a function of electrode potential differences. Using various molecular and macroscopic properties as metrics, we compare CPM simulations on this system to results using fixed surface charges. Specifically, results for predicted capacity, electric potential gradient and solvent density profile are identical between the two methods; However, ion density profiles and solvation structure yield significantly different results.

Direct numerical simulation of a compressible boundary-layer flow past an isolated three-dimensional hump in a high-speed subsonic regime

NASA Astrophysics Data System (ADS)

De Grazia, D.; Moxey, D.; Sherwin, S. J.; Kravtsova, M. A.; Ruban, A. I.

2018-02-01

In this paper we study the boundary-layer separation produced in a high-speed subsonic boundary layer by a small wall roughness. Specifically, we present a direct numerical simulation (DNS) of a two-dimensional boundary-layer flow over a flat plate encountering a three-dimensional Gaussian-shaped hump. This work was motivated by the lack of DNS data of boundary-layer flows past roughness elements in a similar regime which is typical of civil aviation. The Mach and Reynolds numbers are chosen to be relevant for aeronautical applications when considering small imperfections at the leading edge of wings. We analyze different heights of the hump: The smaller heights result in a weakly nonlinear regime, while the larger result in a fully nonlinear regime with an increasing laminar separation bubble arising downstream of the roughness element and the formation of a pair of streamwise counterrotating vortices which appear to support themselves.

Validation of pore network simulations of ex-situ water distributions in a gas diffusion layer of proton exchange membrane fuel cells with X-ray tomographic images

NASA Astrophysics Data System (ADS)

Agaesse, Tristan; Lamibrac, Adrien; Büchi, Felix N.; Pauchet, Joel; Prat, Marc

2016-11-01

Understanding and modeling two-phase flows in the gas diffusion layer (GDL) of proton exchange membrane fuel cells are important in order to improve fuel cells performance. They are scientifically challenging because of the peculiarities of GDLs microstructures. In the present work, simulations on a pore network model are compared to X-ray tomographic images of water distributions during an ex-situ water invasion experiment. A method based on watershed segmentation was developed to extract a pore network from the 3D segmented image of the dry GDL. Pore network modeling and a full morphology model were then used to perform two-phase simulations and compared to the experimental data. The results show good agreement between experimental and simulated microscopic water distributions. Pore network extraction parameters were also benchmarked using the experimental data and results from full morphology simulations.

The interactive role of subsynoptic scale jet sreak and planetary boundary layer adjustments in organizing an apparently isolated convective complex

NASA Technical Reports Server (NTRS)

Kaplan, M. L.; Zack, J. W.; Wong, V. C.; Tuccillo, J. J.; Coats, G. D.

1982-01-01

A mesoscale atmospheric simulation system is described that is being developed in order to improve the simulation of subsynoptic and mesoscale adjustments associated with cyclogenesis, severe storm development, and significant atmospheric transport processes. Present emphasis in model development is in the parameterization of physical processes, time-dependent boundary conditions, sophisticated initialization and analysis procedures, nested grid solutions, and applications software development. Basic characteristics of the system as of March 1982 are listed. In a case study, the Grand Island tornado outbreak of 3 June 1980 is considered in substantial detail. Results of simulations with a mesoscale atmospheric simulation system indicate that over the high plains subtle interactions between existing jet streaks and deep well mixed boundary layers can lead to well organized patterns of mesoscale divergence and pressure falls. The amplitude and positioning of these mesoscale features is a function of the subtle nonlinear interaction between the pre-existing jet-streak and deep well mixed boundary layers. Model results for the case study indicate that the model has the potential for forecasting the precursor mesoscale convective environment.

Performance limits of tunnel transistors based on mono-layer transition-metal dichalcogenides

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

Jiang, Xiang-Wei, E-mail: xwjiang@semi.ac.cn; Li, Shu-Shen; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026

2014-05-12

Performance limits of tunnel field-effect transistors based on mono-layer transition metal dichalcogenides are investigated through numerical quantum mechanical simulations. The atomic mono-layer nature of the devices results in a much smaller natural length λ, leading to much larger electric field inside the tunneling diodes. As a result, the inter-band tunneling currents are found to be very high as long as ultra-thin high-k gate dielectric is possible. The highest on-state driving current is found to be close to 600 μA/μm at V{sub g} = V{sub d} = 0.5 V when 2 nm thin HfO{sub 2} layer is used for gate dielectric, outperforming most of the conventional semiconductor tunnelmore » transistors. In the five simulated transition-metal dichalcogenides, mono-layer WSe{sub 2} based tunnel field-effect transistor shows the best potential. Deep analysis reveals that there is plenty room to further enhance the device performance by either geometry, alloy, or strain engineering on these mono-layer materials.« less

Simulating and validating coastal gradients in wind energy resources

NASA Astrophysics Data System (ADS)

Hahmann, Andrea; Floors, Rogier; Karagali, Ioanna; Vasiljevic, Nikola; Lea, Guillaume; Simon, Elliot; Courtney, Michael; Badger, Merete; Peña, Alfredo; Hasager, Charlotte

2016-04-01

The experimental campaign of the RUNE (Reducing Uncertainty of Near-shore wind resource Estimates) project took place on the western coast of Denmark during the winter 2015-2016. The campaign used onshore scanning lidar technology combined with ocean and satellite information and produced a unique dataset to study the transition in boundary layer dynamics across the coastal zone. The RUNE project aims at reducing the uncertainty of near-shore wind resource estimates produced by mesoscale modeling. With this in mind, simulations using the Weather Research and Forecasting (WRF) model were performed to identify the sensitivity in the coastal gradients of wind energy resources to various model parameters and model inputs. Among these: model horizontal grid spacing and the planetary boundary layer and surface-layer scheme. We report on the differences amongst these simulations and preliminary results on the comparison of the model simulations with the RUNE observations of lidar and satellite measurements and near coastal tall mast.

Communication—indentation of Li-ion pouch cell: Effect of material homogenization on prediction of internal short circuit

DOE PAGES

Kumar, A.; Kalnaus, Sergiy; Simunovic, Srdjan; ...

2016-09-12

We performed finite element simulations of spherical indentation of Li-ion pouch cells. Our model fully resolves different layers in the cell. The results of the layer resolved models were compared to the models available in the literature that treat the cell as an equivalent homogenized continuum material. Simulations were carried out for different sizes of the spherical indenter. Here, we show that calibration of a failure criterion for the cell in the homogenized model depends on the indenter size, whereas in the layer-resoled model, such dependency is greatly diminished.

Wall-pressure fluctuations beneath a spatially evolving turbulent boundary layer

NASA Astrophysics Data System (ADS)

Mahesh, Krishnan; Kumar, Praveen

2016-11-01

Wall-pressure fluctuations beneath a turbulent boundary layer are important in applications dealing with structural deformation and acoustics. Simulations are performed for flat plate and axisymmetric, spatially evolving zero-pressure-gradient turbulent boundary layers at inflow Reynolds number of 1400 and 2200 based on momentum thickness. The simulations generate their own inflow using the recycle-rescale method. The results for mean velocity and second-order statistics show excellent agreement with the data available in literature. The spectral characteristics of wall-pressure fluctuations and their relation to flow structure will be discussed. This work is supported by ONR.

Thermal IR exitance model of a plant canopy

NASA Technical Reports Server (NTRS)

Kimes, D. S.; Smith, J. A.; Link, L. E.

1981-01-01

A thermal IR exitance model of a plant canopy based on a mathematical abstraction of three horizontal layers of vegetation was developed. Canopy geometry within each layer is quantitatively described by the foliage and branch orientation distributions and number density. Given this geometric information for each layer and the driving meteorological variables, a system of energy budget equations was determined and solved for average layer temperatures. These estimated layer temperatures, together with the angular distributions of radiating elements, were used to calculate the emitted thermal IR radiation as a function of view angle above the canopy. The model was applied to a lodgepole pine (Pinus contorta) canopy over a diurnal cycle. Simulated vs measured radiometric average temperatures of the midcanopy layer corresponded with 2 C. Simulation results suggested that canopy geometry can significantly influence the effective radiant temperature recorded at varying sensor view angles.

Simulations of arctic mixed-phase clouds in forecasts with CAM3 and AM2 for M-PACE

DOE PAGES

Xie, Shaocheng; Boyle, James; Klein, Stephen A.; ...

2008-02-27

[1] Simulations of mixed-phase clouds in forecasts with the NCAR Atmosphere Model version 3 (CAM3) and the GFDL Atmospheric Model version 2 (AM2) for the Mixed-Phase Arctic Cloud Experiment (M-PACE) are performed using analysis data from numerical weather prediction centers. CAM3 significantly underestimates the observed boundary layer mixed-phase cloud fraction and cannot realistically simulate the variations of liquid water fraction with temperature and cloud height due to its oversimplified cloud microphysical scheme. In contrast, AM2 reasonably reproduces the observed boundary layer cloud fraction while its clouds contain much less cloud condensate than CAM3 and the observations. The simulation of themore » boundary layer mixed-phase clouds and their microphysical properties is considerably improved in CAM3 when a new physically based cloud microphysical scheme is used (CAM3LIU). The new scheme also leads to an improved simulation of the surface and top of the atmosphere longwave radiative fluxes. Sensitivity tests show that these results are not sensitive to the analysis data used for model initialization. Increasing model horizontal resolution helps capture the subgrid-scale features in Arctic frontal clouds but does not help improve the simulation of the single-layer boundary layer clouds. AM2 simulated cloud fraction and LWP are sensitive to the change in cloud ice number concentrations used in the Wegener-Bergeron-Findeisen process while CAM3LIU only shows moderate sensitivity in its cloud fields to this change. Furthermore, this paper shows that the Wegener-Bergeron-Findeisen process is important for these models to correctly simulate the observed features of mixed-phase clouds.« less

Simulations of Arctic mixed-phase clouds in forecasts with CAM3 and AM2 for M-PACE

NASA Astrophysics Data System (ADS)

Xie, Shaocheng; Boyle, James; Klein, Stephen A.; Liu, Xiaohong; Ghan, Steven

2008-02-01

Simulations of mixed-phase clouds in forecasts with the NCAR Atmosphere Model version 3 (CAM3) and the GFDL Atmospheric Model version 2 (AM2) for the Mixed-Phase Arctic Cloud Experiment (M-PACE) are performed using analysis data from numerical weather prediction centers. CAM3 significantly underestimates the observed boundary layer mixed-phase cloud fraction and cannot realistically simulate the variations of liquid water fraction with temperature and cloud height due to its oversimplified cloud microphysical scheme. In contrast, AM2 reasonably reproduces the observed boundary layer cloud fraction while its clouds contain much less cloud condensate than CAM3 and the observations. The simulation of the boundary layer mixed-phase clouds and their microphysical properties is considerably improved in CAM3 when a new physically based cloud microphysical scheme is used (CAM3LIU). The new scheme also leads to an improved simulation of the surface and top of the atmosphere longwave radiative fluxes. Sensitivity tests show that these results are not sensitive to the analysis data used for model initialization. Increasing model horizontal resolution helps capture the subgrid-scale features in Arctic frontal clouds but does not help improve the simulation of the single-layer boundary layer clouds. AM2 simulated cloud fraction and LWP are sensitive to the change in cloud ice number concentrations used in the Wegener-Bergeron-Findeisen process while CAM3LIU only shows moderate sensitivity in its cloud fields to this change. This paper shows that the Wegener-Bergeron-Findeisen process is important for these models to correctly simulate the observed features of mixed-phase clouds.

Migration of nitrate, nitrite, and ammonia through the municipal solid waste incinerator bottom ash layer in the simulated landfill.

PubMed

Yao, Jun; Chen, Luxi; Zhu, Huayue; Shen, Dongsheng; Qiu, Zhanhong

2017-04-01

Simulated landfill was operated for 508 days to investigate the effect of municipal solid waste incinerator (MSWI) bottom ash layer on the migration of nitrate, nitrite, and ammonia when it was used as the intermediate layer in the landfill. The result suggested that the MSWI bottom ash layer could capture the nitrate, nitrite, and ammonia from the leachate. The adsorption of the nitrate, nitrite, and ammonia on the MSWI bottom ash layer was saturated at the days 396, 34, and 97, respectively. Afterwards, the nitrogen species were desorbed from the MSWI bottom ash layer. Finally, the adsorption and desorption could reach the equilibrium. The amounts of adsorbed nitrate and nitrite on the MSWI bottom ash layer were 1685.09 and 7.48 mg, respectively, and the amount of the adsorbed and transformed ammonia was 13,773.19 mg, which was much higher than the desorbed. The water leaching test and synthetic precipitation leaching procedure (SPLP) results showed that the leachable nitrate, nitrite, and ammonia in the MSWI bottom ash were greatly increased after the landfill operation, suggesting that the adsorbed nitrogen could be finally leached out. Besides, the results also showed that MSWI bottom ash layer could affect the release of nitrate and ammonia at the initial stage of the landfill. However, it had little effect on the release of nitrite.

In situ measurement of radioactive contamination of bottom sediments.

PubMed

Zhukouski, A; Anshakou, O; Kutsen, S

2018-04-30

A gamma spectrometric method is presented for in situ radiation monitoring of bottom sediments with contaminated layer of unknown thickness to be determined. The method, based on the processing of experimental spectra using the results of their simulation by the Monte Carlo method, is proposed and tested in practice. A model for the transport of gamma radiation from deposited radionuclides 137 Cs and 134 Cs to a scintillation detection unit located on the upper surface of the contaminated layer of sediments is considered. The relationship between the effective radius of the contaminated site and the thickness of the layer has been studied. The thickness of the contaminated layer is determined by special analysis of experimental and thickness-dependent simulated spectra. The technique and algorithm developed are verified as a result of full-scale studies performed with the submersible gamma-spectrometer. Copyright © 2018 Elsevier Ltd. All rights reserved.

Unraveling the hydrodynamics of split root water uptake experiments using CT scanned root architectures and three dimensional flow simulations

PubMed Central

Koebernick, Nicolai; Huber, Katrin; Kerkhofs, Elien; Vanderborght, Jan; Javaux, Mathieu; Vereecken, Harry; Vetterlein, Doris

2015-01-01

Split root experiments have the potential to disentangle water transport in roots and soil, enabling the investigation of the water uptake pattern of a root system. Interpretation of the experimental data assumes that water flow between the split soil compartments does not occur. Another approach to investigate root water uptake is by numerical simulations combining soil and root water flow depending on the parameterization and description of the root system. Our aim is to demonstrate the synergisms that emerge from combining split root experiments with simulations. We show how growing root architectures derived from temporally repeated X-ray CT scanning can be implemented in numerical soil-plant models. Faba beans were grown with and without split layers and exposed to a single drought period during which plant and soil water status were measured. Root architectures were reconstructed from CT scans and used in the model R-SWMS (root-soil water movement and solute transport) to simulate water potentials in soil and roots in 3D as well as water uptake by growing roots in different depths. CT scans revealed that root development was considerably lower with split layers compared to without. This coincided with a reduction of transpiration, stomatal conductance and shoot growth. Simulated predawn water potentials were lower in the presence of split layers. Simulations showed that this was related to an increased resistance to vertical water flow in the soil by the split layers. Comparison between measured and simulated soil water potentials proved that the split layers were not perfectly isolating and that redistribution of water from the lower, wetter compartments to the drier upper compartments took place, thus water losses were not equal to the root water uptake from those compartments. Still, the layers increased the resistance to vertical flow which resulted in lower simulated collar water potentials that led to reduced stomatal conductance and growth. PMID:26074935

ALC: automated reduction of rule-based models

PubMed Central

Koschorreck, Markus; Gilles, Ernst Dieter

2008-01-01

Background Combinatorial complexity is a challenging problem for the modeling of cellular signal transduction since the association of a few proteins can give rise to an enormous amount of feasible protein complexes. The layer-based approach is an approximative, but accurate method for the mathematical modeling of signaling systems with inherent combinatorial complexity. The number of variables in the simulation equations is highly reduced and the resulting dynamic models show a pronounced modularity. Layer-based modeling allows for the modeling of systems not accessible previously. Results ALC (Automated Layer Construction) is a computer program that highly simplifies the building of reduced modular models, according to the layer-based approach. The model is defined using a simple but powerful rule-based syntax that supports the concepts of modularity and macrostates. ALC performs consistency checks on the model definition and provides the model output in different formats (C MEX, MATLAB, Mathematica and SBML) as ready-to-run simulation files. ALC also provides additional documentation files that simplify the publication or presentation of the models. The tool can be used offline or via a form on the ALC website. Conclusion ALC allows for a simple rule-based generation of layer-based reduced models. The model files are given in different formats as ready-to-run simulation files. PMID:18973705

Carboxymethylcellulose adsorption on molybdenite: the effect of electrolyte composition on adsorption, bubble-surface collisions, and flotation.

PubMed

Kor, Mohammad; Korczyk, Piotr M; Addai-Mensah, Jonas; Krasowska, Marta; Beattie, David A

2014-10-14

The adsorption of carboxymethylcellulose polymers on molybdenite was studied using spectroscopic ellipsometry and atomic force microscopy imaging with two polymers of differing degrees of carboxyl group substitution and at three different electrolyte conditions: 1 × 10(-2) M KCl, 2.76 × 10(-2) M KCl, and simulated flotation process water of multicomponent electrolyte content, with an ionic strength close to 2.76 × 10(-2) M. A higher degree of carboxyl substitution in the adsorbing polymer resulted in adsorbed layers that were thinner and with more patchy coverage; increasing the ionic strength of the electrolyte resulted in increased polymer layer thickness and coverage. The use of simulated process water resulted in the largest layer thickness and coverage for both polymers. The effect of the adsorbed polymer layer on bubble-particle attachment was studied with single bubble-surface collision experiments recorded with high-speed video capture and image processing and also with single mineral molybdenite flotation tests. The carboxymethylcellulose polymer with a lower degree of substitution resulted in almost complete prevention of wetting film rupture at the molybdenite surface under all electrolyte conditions. The polymer with a higher degree of substitution prevented rupture only when adsorbed from simulated process water. Molecular kinetic theory was used to quantify the effect of the polymer on the dewetting dynamics for collisions that resulted in wetting film rupture. Flotation experiments confirmed that adsorbed polymer layer properties, through their effect on the dynamics of bubble-particle attachment, are critical to predicting the effectiveness of polymers used to prevent mineral recovery in flotation.

Atomistic Modeling of the Fluid-Solid Interface in Simple Fluids

NASA Astrophysics Data System (ADS)

Hadjiconstantinou, Nicolas; Wang, Gerald

2017-11-01

Fluids can exhibit pronounced structuring effects near a solid boundary, typically manifested in a layered structure that has been extensively shown to directly affect transport across the interface. We present and discuss several results from molecular-mechanical modeling and molecular-dynamics (MD) simulations aimed at characterizing the structure of the first fluid layer directly adjacent to the solid. We identify a new dimensionless group - termed the Wall number - which characterizes the degree of fluid layering, by comparing the competing effects of wall-fluid interaction and thermal energy. We find that in the layering regime, several key features of the first layer layer - including its distance from the solid, its width, and its areal density - can be described using mean-field-energy arguments, as well as asymptotic analysis of the Nernst-Planck equation. For dense fluids, the areal density and the width of the first layer can be related to the bulk fluid density using a simple scaling relation. MD simulations show that these results are broadly applicable and robust to the presence of a second confining solid boundary, different choices of wall structure and thermalization, strengths of fluid-solid interaction, and wall geometries.

Multilayer metal-oxide-metal nanopatterns via nanoimprint and strip-off for multispectral resonance

NASA Astrophysics Data System (ADS)

Jeon, Sohee; Sung, Sang-Keun; Jang, Eun-Hwan; Jeong, Junho; Surabhi, Srivathsava; Choi, Jun-Hyuk; Jeong, Jong-Ryul

2018-01-01

A fabrication technology for multispectral plasmonic resonators is presented on a basis of metal-insulator-metal (MIM) nanopattern arrays. Resonators comprised of MIM nanopatterns were fabricated using nanoimprint-based transfer and strip-off following MIM depositions. Two different kinds of configuration (web and hole) were developed for three and five layers of MIMs. The corresponding measured transmittance and reflectance spectroscopies were compared to their counterpart finite difference time domain (FDTD) simulation results. The results implied various plasmonic resonance couplings occurred at different locations around the metal structures, dependent on the layer and array configuration. By tuning the model geometry and simulation conditions, agreement between the experimental results and simulation was achieved. This work is believed to provide a viable fabrication method for multispectral resonance filters or sensors.

First-charge instabilities of layered-layered lithium-ion-battery materials.

PubMed

Croy, Jason R; Iddir, Hakim; Gallagher, Kevin; Johnson, Christopher S; Benedek, Roy; Balasubramanian, Mahalingam

2015-10-07

Li- and Mn-rich layered oxides with composition xLi2MnO3·(1 -x)LiMO2 enable high capacity and energy density Li-ion batteries, but suffer from degradation with cycling. Evidence of atomic instabilities during the first charge are addressed in this work with X-ray absorption spectroscopy, first principles simulation at the GGA+U level, and existing literature. The pristine material of composition xLi2MnO3·(1 -x)LiMn0.5Ni0.5O2 is assumed in the simulations to have the form of LiMn2 stripes, alternating with NiMn stripes, in the metal layers. The charged state is simulated by removing Li from the Li layer, relaxing the resultant system by steepest descents, then allowing the structure to evolve by molecular dynamics at 1000 K, and finally relaxing the evolved system by steepest descents. The simulations show that about ¼ of the oxygen ions in the Li2MnO3 domains are displaced from their original lattice sites, and form oxygen-oxygen bonds, which significantly lowers the energy, relative to that of the starting structure in which the oxygen sublattice is intact. An important consequence of the displacement of the oxygen is that it enables about ⅓ of the (Li2MnO3 domain) Mn ions to migrate to the delithiated Li layers. The decrease in the coordination of the Mn ions is about twice that of the Ni ions. The approximate agreement of simulated coordination number deficits for Mn and Ni following the first charge with analysis of EXAFS measurements on 0.3Li2MnO3·0.7LiMn0.5Ni0.5O2 suggests that the simulation captures significant features of the real material.

A Study of the Unstable Modes in High Mach Number Gaseous Jets and Shear Layers

NASA Astrophysics Data System (ADS)

Bassett, Gene Marcel

1993-01-01

Instabilities affecting the propagation of supersonic gaseous jets have been studied using high resolution computer simulations with the Piecewise-Parabolic-Method (PPM). These results are discussed in relation to jets from galactic nuclei. These studies involve a detailed treatment of a single section of a very long jet, approximating the dynamics by using periodic boundary conditions. Shear layer simulations have explored the effects of shear layers on the growth of nonlinear instabilities. Convergence of the numerical approximations has been tested by comparing jet simulations with different grid resolutions. The effects of initial conditions and geometry on the dominant disruptive instabilities have also been explored. Simulations of shear layers with a variety of thicknesses, Mach numbers and densities perturbed by incident sound waves imply that the time for the excited kink modes to grow large in amplitude and disrupt the shear layer is taug = (546 +/- 24) (M/4)^{1.7 } (Apert/0.02) ^{-0.4} delta/c, where M is the jet Mach number, delta is the half-width of the shear layer, and A_ {pert} is the perturbation amplitude. For simulations of periodic jets, the initial velocity perturbations set up zig-zag shock patterns inside the jet. In each case a single zig-zag shock pattern (an odd mode) or a double zig-zag shock pattern (an even mode) grows to dominate the flow. The dominant kink instability responsible for these shock patterns moves approximately at the linear resonance velocity, nu_ {mode} = cextnu_ {relative}/(cjet + c_ {ext}). For high resolution simulations (those with 150 or more computational zones across the jet width), the even mode dominates if the even penetration is higher in amplitude initially than the odd perturbation. For low resolution simulations, the odd mode dominates even for a stronger even mode perturbation. In high resolution simulations the jet boundary rolls up and large amounts of external gas are entrained into the jet. In low resolution simulations this entrainment process is impeded by numerical viscosity. The three-dimensional jet simulations behave similarly to two-dimensional jet runs with the same grid resolutions.

Steam and air co-injection in removing residual TCE in unsaturated layered sandy porous media.

PubMed

Peng, Sheng; Wang, Ning; Chen, Jiajun

2013-10-01

Steam and air co-injection is a promising technique for volatile and semi-volatile organic contaminant remediation in heterogeneous porous media. In this study, removal of trichloroethene (TCE) with steam-air co-injection was investigated through a series of 2D sandbox experiments with different layered sand structures, and through numerical simulations. The results show that a layered structure with coarse sand, in which steam and air convection are relatively rapid, resulted in a higher removal rate and a larger removal ratio than those observed in an experiment using finer sand; however, the difference was not significant, and the removal ratios from three experiments ranged from 85% to 94%. Slight downward movement of TCE was observed for Experiment 1 (TCE initially in a fine sand zone encased in a coarse sand), while no such movement was observed for Experiment 2 (TCE initially in two fine sand layers encased in a coarse sand) or 3 (TCE initially in a silty sand zone encased in a coarse sand). Simulations show accumulation of TCE at the interface of the layered sands, which indicates a capillary barrier effect in restraining the downward movement of TCE. This effect is illustrated further by a numerical experiment with homogeneous coarse sand, in which continuous downward TCE movement to the bottom of the sandbox was simulated. Another numerical experiment with higher water saturation was also conducted. The results illustrate a complicated influence of water saturation on TCE removal in a layered sand structure. Published by Elsevier B.V.

Vertical wind shear characteristics that promote supercell-to-MCS transitions

NASA Astrophysics Data System (ADS)

Peters, J. M.

2017-12-01

What causes supercells to transition into MCSs in some situations, but not others? To explore this question, I first examined observed environmental characteristics of supercell events when MCSs formed, and compared them to the analogous environmental characteristics of supercell events when MCSs did not form. During events when MCS growth occurred, 0-1 km (low-level) vertical wind shear was stronger and 0-10 km (deep-layer) vertical wind shear was weaker than the wind shear during events when MCS growth did not occur. Next, I used idealized simulations of supercell thunderstorms to understand the connections between low-level and deep-layer shear and MCS growth. Compared to simulations with strong deep-layer shear, the simulations with weak deep-layer shear had rain in the storm's forward-flank downdraft (FFD) that fell closer to the updraft, fell through storm-moistened air and evaporated less, and produced a more intense FFD. Compared to simulations with weak low-level shear, the simulations with stronger low-level shear showed enhanced northward low-level hydrometeor transport into the FFD. Environments with strong low-level shear and weak deep-layer shear therefore conspired to produce a storm with a more intense FFD cold pool, when compared to environments with weak low-level shear and/or strong deep-layer shear. This strong FFD periodically disrupted the supercells' mesocyclones, and favorably interacted with westerly wind shear to produce widespread linear convection initiation, which drove MCS growth. These results suggest that increasing low-level wind shear after dark - while commonly assumed to enhance tornado potential - may in fact drive MCS growth and reduce tornado potential, unless it is combined with sufficiently strong deep layer shear.

Extreme value statistics for two-dimensional convective penetration in a pre-main sequence star

NASA Astrophysics Data System (ADS)

Pratt, J.; Baraffe, I.; Goffrey, T.; Constantino, T.; Viallet, M.; Popov, M. V.; Walder, R.; Folini, D.

2017-08-01

Context. In the interior of stars, a convectively unstable zone typically borders a zone that is stable to convection. Convective motions can penetrate the boundary between these zones, creating a layer characterized by intermittent convective mixing, and gradual erosion of the density and temperature stratification. Aims: We examine a penetration layer formed between a central radiative zone and a large convection zone in the deep interior of a young low-mass star. Using the Multidimensional Stellar Implicit Code (MUSIC) to simulate two-dimensional compressible stellar convection in a spherical geometry over long times, we produce statistics that characterize the extent and impact of convective penetration in this layer. Methods: We apply extreme value theory to the maximal extent of convective penetration at any time. We compare statistical results from simulations which treat non-local convection, throughout a large portion of the stellar radius, with simulations designed to treat local convection in a small region surrounding the penetration layer. For each of these situations, we compare simulations of different resolution, which have different velocity magnitudes. We also compare statistical results between simulations that radiate energy at a constant rate to those that allow energy to radiate from the stellar surface according to the local surface temperature. Results: Based on the frequency and depth of penetrating convective structures, we observe two distinct layers that form between the convection zone and the stable radiative zone. We show that the probability density function of the maximal depth of convective penetration at any time corresponds closely in space with the radial position where internal waves are excited. We find that the maximal penetration depth can be modeled by a Weibull distribution with a small shape parameter. Using these results, and building on established scalings for diffusion enhanced by large-scale convective motions, we propose a new form for the diffusion coefficient that may be used for one-dimensional stellar evolution calculations in the large Péclet number regime. These results should contribute to the 321D link.

Study of Ozone Layer Variability near St. Petersburg on the Basis of SBUV Satellite Measurements and Numerical Simulation (2000-2014)

NASA Astrophysics Data System (ADS)

Virolainen, Y. A.; Timofeyev, Y. M.; Smyshlyaev, S. P.; Motsakov, M. A.; Kirner, O.

2017-12-01

A comparison between the numerical simulation results of ozone fields with different experimental data makes it possible to estimate the quality of models for their further use in reliable forecasts of ozone layer evolution. We analyze time series of satellite (SBUV) measurements of the total ozone column (TOC) and the ozone partial columns in two atmospheric layers (0-25 and 25-60 km) and compare them with the results of numerical simulation in the chemistry transport model (CTM) for the low and middle atmosphere and the chemistry climate model EMAC. The daily and monthly average ozone values, short-term periods of ozone depletion, and long-term trends of ozone columns are considered; all data sets relate to St. Petersburg and the period between 2000 and 2014. The statistical parameters (means, standard deviations, variations, medians, asymmetry parameter, etc.) of the ozone time series are quite similar for all datasets. However, the EMAC model systematically underestimates the ozone columns in all layers considered. The corresponding differences between satellite measurements and EMAC numerical simulations are (5 ± 5)% and (7 ± 7)% and (1 ± 4)% for the ozone column in the 0-25 and 25-60 km layers, respectively. The correspondent differences between SBUV measurements and CTM results amount to (0 ± 7)%, (1 ± 9)%, and (-2 ± 8)%. Both models describe the sudden episodes of the ozone minimum well, but the EMAC accuracy is much higher than that of the CTM, which often underestimates the ozone minima. Assessments of the long-term linear trends show that they are close to zero for all datasets for the period under study.

Using atomistic simulations to model cadmium telluride thin film growth

NASA Astrophysics Data System (ADS)

Yu, Miao; Kenny, Steven D.

2016-03-01

Cadmium telluride (CdTe) is an excellent material for low-cost, high efficiency thin film solar cells. It is important to conduct research on how defects are formed during the growth process, since defects lower the efficiency of solar cells. In this work we use computer simulation to predict the growth of a sputter deposited CdTe thin film. On-the-fly kinetic Monte Carlo technique is used to simulate the CdTe thin film growth on the (1 1 1) surfaces. The results show that on the (1 1 1) surfaces the growth mechanisms on surfaces which are terminated by Cd or Te are quite different, regardless of the deposition energy (0.1∼ 10 eV). On the Te-terminated (1 1 1) surface the deposited clusters first form a single mixed species layer, then the Te atoms in the mixed layer moved up to form a new layer. Whilst on the Cd-terminated (1 1 1) surface the new Cd and Te layers are formed at the same time. Such differences are probably caused by stronger bonding between ad-atoms and surface atoms on the Te layer than on the Cd layer.

TEM/STEM study of Zircaloy-2 with protective FeAl(Cr) layers under simulated BWR environment and high-temperature steam exposure

NASA Astrophysics Data System (ADS)

Park, Donghee; Mouche, Peter A.; Zhong, Weicheng; Mandapaka, Kiran K.; Was, Gary S.; Heuser, Brent J.

2018-04-01

FeAl(Cr) thin-film depositions on Zircaloy-2 were studied using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) with respect to oxidation behavior under simulated boiling water reactor (BWR) conditions and high-temperature steam. Columnar grains of FeAl with Cr in solid solution were formed on Zircaloy-2 coupons using magnetron sputtering. NiFe2O4 precipitates on the surface of the FeAl(Cr) coatings were observed after the sample was exposed to the simulated BWR environment. High-temperature steam exposure resulted in grain growth and consumption of the FeAl(Cr) layer, but no delamination at the interface. Outward Al diffusion from the FeAl(Cr) layer occurred during high-temperature steam exposure (700 °C for 3.6 h) to form a 100-nm-thick alumina oxide layer, which was effective in mitigating oxidation of the Zircaloy-2 coupons. Zr intermetallic precipitates formed near the FeAl(Cr) layer due to the inward diffusion of Fe and Al. The counterflow of vacancies in response to the Al and Fe diffusion led to porosity within the FeAl(Cr) layer.

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

Baalrud, S. D.; Lafleur, T.; Boswell, R. W.

Current-free double layers of the type reported in plasmas in the presence of an expanding magnetic field [C. Charles and R. W. Boswell, Appl. Phys. Lett. 82, 1356 (2003)] are modeled theoretically and with particle-in-cell/Monte Carlo simulations. Emphasis is placed on determining what mechanisms affect the electron velocity distribution function (EVDF) and how the EVDF influences the double layer. A theoretical model is developed based on depletion of electrons in certain velocity intervals due to wall losses and repletion of these intervals due to ionization and elastic electron scattering. This model is used to predict the range of neutral pressuresmore » over which a double layer can form and the electrostatic potential drop of the double layer. These predictions are shown to compare well with simulation results.« less

Three-dimensional smoothed particle hydrodynamics simulation for injection molding flow of short fiber-reinforced polymer composites

NASA Astrophysics Data System (ADS)

He, Liping; Lu, Gang; Chen, Dachuan; Li, Wenjun; Lu, Chunsheng

2017-07-01

This paper investigates the three-dimensional (3D) injection molding flow of short fiber-reinforced polymer composites using a smoothed particle hydrodynamics (SPH) simulation method. The polymer melt was modeled as a power law fluid and the fibers were considered as rigid cylindrical bodies. The filling details and fiber orientation in the injection-molding process were studied. The results indicated that the SPH method could effectively predict the order of filling, fiber accumulation, and heterogeneous distribution of fibers. The SPH simulation also showed that fibers were mainly aligned to the flow direction in the skin layer and inclined to the flow direction in the core layer. Additionally, the fiber-orientation state in the simulation was quantitatively analyzed and found to be consistent with the results calculated by conventional tensor methods.

Effects of Riblets on Skin Friction in High-Speed Turbulent Boundary Layers

NASA Technical Reports Server (NTRS)

Duan, Lian; Choudhari, Meelan M.

2012-01-01

Direct numerical simulations of spatially developing turbulent boundary layers over riblets are conducted to examine the effects of riblets on skin friction at supersonic speeds. Zero-pressure gradient boundary layers with an adiabatic wall, a Mach number of M1 = 2.5, and a Reynolds number based on momentum thickness of Re = 1720 are considered. Simulations are conducted for boundary-layer flows over a clean surface and symmetric V- groove riblets with nominal spacings of 20 and 40 wall units. The DNS results confirm the few existing experimental observations and show that a drag reduction of approximately 7% is achieved for riblets with proper spacing. The influence of riblets on turbulence statistics is analyzed in detail with an emphasis on identifying the differences, if any, between the drag reduction mechanisms for incompressible and high-speed boundary layers.

The Use of a Mesoscale Climate Model to Validate the Nocturnal Carbon Flux over a Forested Site

NASA Astrophysics Data System (ADS)

Werth, D.; Parker, M.; Kurzeja, R.; Leclerc, M.; Watson, T.

2007-12-01

The Savannah River National Laboratory is initiating a comprehensive carbon dioxide monitoring and modeling program in collaboration with the University of Georgia and the Brookhaven National Laboratory. One of the primary goals is to study the dynamics of carbon dioxide in the stable nocturnal boundary layer (NBL) over a forested area of the Savannah River Site in southwest South Carolina. In the nocturnal boundary layer (NBL), eddy flux correlation is less effective in determining the release of CO2 due to respiration. Theoretically, however, the flux can be inferred by measuring the build up of CO2 in the stable layer throughout the night. This method of monitoring the flux will be validated and studied in more detail with both observations and the results of a high-resolution regional climate model. The experiment will involve two phases. First, an artificial tracer will be released into the forest boundary layer and observed through an array of sensors and at a flux tower. The event will be simulated with the RAMS climate model run at very high resolution. Ideally, the tracer will remain trapped within the stable layer and accumulate at rates which will allow us to infer the release rate, and this should compare well to the actual release rate. If an unknown mechanism allows the tracer to escape, the model simulation would be used to reveal it. In the second phase, carbon fluxes will be measured overnight through accumulation in the overlying layer. The RAMS model will be coupled with the SiB carbon model to simulate the nocturnal cycle of carbon dynamics, and this will be compared to the data collected during the night. As with the tracer study, the NBL method of flux measurement will be validated against the model. The RAMS-SiB coupled model has been run over the SRS at high-resolution to simulate the NBL, and results from simulations of both phases of the project will be presented.

Organic field effect transistors - Study of performance parameters for different dielectric layer thickness

NASA Astrophysics Data System (ADS)

Assis, Anu; Shahul Hameed T., A.; Predeep, P.

2017-06-01

Mobility and current handling capabilities of Organic Field Effect Transistor (OFET) are vitally important parameters in the electrical performance where the material parameters and thickness of different layers play significant role. In this paper, we report the simulation of an OFET using multi physics tool, where the active layer is pentacene and Poly Methyl Methacrylate (PMMA) forms the dielectric. Electrical characterizations of the OFET on varying the thickness of the dielectric layer from 600nm to 400nm are simulated and drain current, transconductance and mobility are analyzed. In the study it is found that even though capacitance increases with reduction in dielectric layer thickness, the transconductance effect is reflected many more times in the mobility which in turn could be attributed to the variations in transverse electric field. The layer thickness below 300nm may result in gate leakage current points to the requirement of optimizing the thickness of different layers for better performance.

The effect of chain rigidity on the interfacial layer thickness and dynamics of polymer nanocomposites

NASA Astrophysics Data System (ADS)

Cheng, Shiwang; Carrillo, Jan-Michael Y.; Carroll, Bobby; Sumpter, Bobby G.; Sokolov, Alexei P.

There are growing experimental evidences showing the existence of an interfacial layer that has a finite thickness with slowing down dynamics in polymer nanocomposites (PNCs). Moreover, it is believed that the interfacial layer plays a significant role on various macroscopic properties of PNCs. A thicker interfacial layer is found to have more pronounced effect on the macroscopic properties such as the mechanical enhancement. However, it is not clear what molecular parameter controls the interfacial layer thickness. Inspired by our recent computer simulations that showed the chain rigidity correlated well with the interfacial layer thickness, we performed systematic experimental studies on different polymer nanocomposites by varying the chain stiffness. Combining small-angle X-ray scattering, broadband dielectric spectroscopy and temperature modulated differential scanning calorimetry, we find a good correlation between the polymer Kuhn length and the thickness of the interfacial layer, confirming the earlier computer simulations results. Our findings provide a direct guidance for the design of new PNCs with desired properties.

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

NASA Astrophysics Data System (ADS)

Xu, Ziwei; Yan, Tianying; Liu, Guiwu; Qiao, Guanjun; Ding, Feng

2015-12-01

To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results.To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06016h

The Role of Boundary-Layer and Cumulus Convection on Dust Emission, Mixing, and Transport Over Desert Regions

NASA Astrophysics Data System (ADS)

Takemi, T.; Yasui, M.

2005-12-01

Recent studies on dust emission and transport have been concerning the small-scale atmospheric processes in order to incorporate them as a subgrid-scale effect in large-scale numerical prediction models. In the present study, we investigated the dynamical processes and mechanisms of dust emission, mixing, and transport induced by boundary-layer and cumulus convection under a fair-weather condition over a Chinese desert. We performed a set of sensitivity experiments as well as a control simulation in order to examine the effects of vertical wind shear, upper-level wind speed, and moist convection by using a simplified and idealized modeling framework. The results of the control experiment showed that surface dust emission was at first caused before the noon time by intense convective motion which not only developed in the boundary layer but also penetrated into the free troposphere. In the afternoon hours, boundary-layer dry convection actively mixed and transported dust within the boundary layer. Some of the convective cells penetrated above the boundary layer, which led to the generation of cumulus clouds and hence gradually increased the dust content in the free troposphere. Coupled effects of the dry and moist convection played an important role in inducing surface dust emission and transporting dust vertically. This was clearly demonstrated through the comparison of the results between the control and the sensitivity experiments. The results of the control simulation were compared with lidar measurements. The simulation well captured the observed diurnal features of the upward transport of dust. We also examined the dependence of the simulated results on grid resolution: the grid size was changed from 250 m up to 4 km. It was found that there was a significant difference between the 2-km and 4-km grids. If a cumulus parameterization was added to the 4-km grid run, the column content was comparable to the other cases. This result suggests that subgrid parameterizations are required if the grid size is larger than the order of 1 km in a fair-weather condition.

Time-resolved photon emission from layered turbid media

NASA Astrophysics Data System (ADS)

Hielscher, Andreas H.; Liu, Hanli; Chance, Britton; Tittel, Frank K.; Jacques, Steven L.

1996-02-01

We present numerical and experimental results of time-resolved emission profiles from various layered turbid media. Numerical solutions determined by time-resolved Monte Carlo simulations are compared with measurements on layered-tissue phantoms made from gelatin. In particular, we show that in certain cases the effects of the upper layers can be eliminated. As a practical example, these results are used to analyze in vivo measurements on the human head. This demonstrates the influence of skin, skull, and meninges on the determination of the blood oxygenation in the brain.

Numerical simulations of Richtmyer{endash}Meshkov instabilities in finite-thickness fluid layers

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

Mikaelian, K.O.

1996-05-01

Direct numerical simulations of Richtmyer{endash}Meshkov instabilities in shocked fluid layers are reported and compared with analytic theory. To investigate new phenomena such as freeze-out, interface coupling, and feedthrough, several new configurations are simulated on a two-dimensional hydrocode. The basic system is an {ital A}/{ital B}/{ital A} combination, where {ital A} is air and {ital B} is a finite-thickness layer of freon, SF{sub 6}, or helium. The middle layer {ital B} has perturbations either on its upstream or downstream side, or on both sides, in which case the perturbations may be in phase (sinuous) or out of phase (varicose). The evolutionmore » of such perturbations under a Mach 1.5 shock is calculated, including the effect of a reshock. Recently reported gas curtain experiments [J. M. Budzinski {ital et} {ital al}., Phys. Fluids {bold 6}, 3510 (1994)] are also simulated and the code results are found to agree very well with the experiments. A new gas curtain configuration is also considered, involving an initially sinuous SF{sub 6} or helium layer and a new pattern, opposite mushrooms, is predicted to emerge. Upon reshock a relatively simple sinuous gas curtain is found to evolve into a highly complex pattern of nested mushrooms. {copyright} {ital 1996 American Institute of Physics.}« less

Nanostructuring of sapphire using time-modulated nanosecond laser pulses

NASA Astrophysics Data System (ADS)

Lorenz, P.; Zagoranskiy, I.; Ehrhardt, M.; Bayer, L.; Zimmer, K.

2017-02-01

The nanostructuring of dielectric surfaces using laser radiation is still a challenge. The IPSM-LIFE (laser-induced front side etching using in-situ pre-structured metal layer) method allows the easy, large area and fast laser nanostructuring of dielectrics. At IPSM-LIFE a metal covered dielectric is irradiated where the structuring is assisted by a self-organized molten metal layer deformation process. The IPSM-LIFE can be divided into two steps: STEP 1: The irradiation of thin metal layers on dielectric surfaces results in a melting and nanostructuring process of the metal layer and partially of the dielectric surface. STEP 2: A subsequent high laser fluence treatment of the metal nanostructures result in a structuring of the dielectric surface. At this study a sapphire substrate Al2O3(1-102) was covered with a 10 nm thin molybdenum layer and irradiated by an infrared laser with an adjustable time-dependent pulse form with a time resolution of 1 ns (wavelength λ = 1064 nm, pulse duration Δtp = 1 - 600 ns, Gaussian beam profile). The laser treatment allows the fabrication of different surface structures into the sapphire surface due to a pattern transfer process. The resultant structures were investigated by scanning electron microscopy (SEM). The process was simulated and the simulation results were compared with experimental results.

Result of Monte-Carlo simulation of electron-photon cascades in lead and layers of lead-scintillator

NASA Technical Reports Server (NTRS)

Wasilewski, A.; Krys, E.

1985-01-01

Results of Monte-Carlo simulation of electromagnetic cascade development in lead and lead-scintillator sandwiches are analyzed. It is demonstrated that the structure function for core approximation is not applicable in the case in which the primary energy is higher than 100 GeV. The simulation data has shown that introducing an inhomogeneous chamber structure results in subsequent reduction of secondary particles.

Multiscale modeling for SiO2 atomic layer deposition for high-aspect-ratio hole patterns

NASA Astrophysics Data System (ADS)

Miyano, Yumiko; Narasaki, Ryota; Ichikawa, Takashi; Fukumoto, Atsushi; Aiso, Fumiki; Tamaoki, Naoki

2018-06-01

A multiscale simulation model is developed for optimizing the parameters of SiO2 plasma-enhanced atomic layer deposition of high-aspect-ratio hole patterns in three-dimensional (3D) stacked memory. This model takes into account the diffusion of a precursor in a reactor, that in holes, and the adsorption onto the wafer. It is found that the change in the aperture ratio of the holes on the wafer affects the concentration of the precursor near the top of the wafer surface, hence the deposition profile in the hole. The simulation results reproduced well the experimental results of the deposition thickness for the various hole aperture ratios. By this multiscale simulation, we can predict the deposition profile in a high-aspect-ratio hole pattern in 3D stacked memory. The atomic layer deposition parameters for conformal deposition such as precursor feeding time and partial pressure of precursor for wafers with various hole aperture ratios can be estimated.

Comparison of vertical discretization techniques in finite-difference models of ground-water flow; example from a hypothetical New England setting

USGS Publications Warehouse

Harte, Philip T.

1994-01-01

Proper discretization of a ground-water-flow field is necessary for the accurate simulation of ground-water flow by models. Although discretiza- tion guidelines are available to ensure numerical stability, current guidelines arc flexible enough (particularly in vertical discretization) to allow for some ambiguity of model results. Testing of two common types of vertical-discretization schemes (horizontal and nonhorizontal-model-layer approach) were done to simulate sloping hydrogeologic units characteristic of New England. Differences of results of model simulations using these two approaches are small. Numerical errors associated with use of nonhorizontal model layers are small (4 percent). even though this discretization technique does not adhere to the strict formulation of the finite-difference method. It was concluded that vertical discretization by means of the nonhorizontal layer approach has advantages in representing the hydrogeologic units tested and in simplicity of model-data input. In addition, vertical distortion of model cells by this approach may improve the representation of shallow flow processes.

Discontinuous Galerkin Methods and High-Speed Turbulent Flows

NASA Astrophysics Data System (ADS)

Atak, Muhammed; Larsson, Johan; Munz, Claus-Dieter

2014-11-01

Discontinuous Galerkin methods gain increasing importance within the CFD community as they combine arbitrary high order of accuracy in complex geometries with parallel efficiency. Particularly the discontinuous Galerkin spectral element method (DGSEM) is a promising candidate for both the direct numerical simulation (DNS) and large eddy simulation (LES) of turbulent flows due to its excellent scaling attributes. In this talk, we present a DNS of a compressible turbulent boundary layer along a flat plate at a free-stream Mach number of M = 2.67 and assess the computational efficiency of the DGSEM at performing high-fidelity simulations of both transitional and turbulent boundary layers. We compare the accuracy of the results as well as the computational performance to results using a high order finite difference method.

Modeling Electrothermal Plasma with Boundary Layer Effects

NASA Astrophysics Data System (ADS)

AlMousa, Nouf Mousa A.

Electrothermal plasma sources produce high-density (1023-10 28 /m3) and high temperature (1-5 eV) plasmas that are of interest for a variety of applications such as hypervelocity launch devices, fusion reactor pellet injectors, and pulsed thrusters for small satellites. Also, the high heat flux (up to 100 GW/m2) and high pressure (100s MPa) of electrothermal (ET) plasmas allow for the use of such facilities as a source of high heat flux to simulate off-normal events in Tokamak fusion reactors. Off-normal events like disruptions, thermal and current quenches, are the perfect recipes for damage of plasma facing components (PFC). Successful operation of a fusion reactor requires comprehensive understanding of material erosion behavior. The extremely high heat fluxes deposited in PFCs melt and evaporate or directly sublime the exposed surfaces, which results in a thick vapor/melt boundary layer adjacent to the solid wall structure. The accumulating boundary layers provide a self-protecting nature by attenuating the radiant energy transport to the PFCs. The ultimate goal of this study is to develop a reliable tool to adequately simulate the effect of the boundary layers on the formation and flow of the energetic ET plasma and its impact on exposed surfaces erosion under disruption like conditions. This dissertation is a series of published journals/conferences papers. The first paper verified the existence of the vapor shield that evolved at the boundary layer under the typical operational conditions of the NC State University ET plasma facilities PIPE and SIRENS. Upon the verification of the vapor shield, the second paper proposed novel model to simulate the evolution of the boundary layer and its effectiveness in providing a self-protecting nature for the exposed plasma facing surfaces. The developed models simulate the radiant heat flux attenuation through an optically thick boundary layer. The models were validated by comparing the simulation results to experimental data taken from the ET plasma facilities. Upon validation of the boundary layer models, computational experiments were conducted with the purpose of evaluation the PFCs' erosion during plasma disruption in Tokamak fusion reactors. Erosion of a set of selected low-Z and high-Z materials were analyzed and discussed. For metallic plasma facing materials under the impact of hard and long time-scale disruption events, melting and melt-layer splashing become dominate erosion mechanisms during plasma-material interaction. In order to realistically assess the erosion of the metallic fusion reactor components, the fourth paper accounts for the various mechanisms by which material evolved from PFCs due to melting and vaporization, with a developed melting and splattering/splashing model incorporated in the ET plasma code. Also, the shielding effect associated with melt-layer and vapor-layer is investigated. The quantitative results of material erosion with the boundary layer effects including a vapor layer, melt layer and splashing effects is a new model and an important step towards achieving a better understanding of plasma-material interactions under exposure to such high heat flux conditions.

The Role of Rough Topography in Mediating Impacts of Bottom Drag in Eddying Ocean Circulation Models.

PubMed

Trossman, David S; Arbic, Brian K; Straub, David N; Richman, James G; Chassignet, Eric P; Wallcraft, Alan J; Xu, Xiaobiao

2017-08-01

Motivated by the substantial sensitivity of eddies in two-layer quasi-geostrophic (QG) turbulence models to the strength of bottom drag, this study explores the sensitivity of eddies in more realistic ocean general circulation model (OGCM) simulations to bottom drag strength. The OGCM results are interpreted using previous results from horizontally homogeneous, two-layer, flat-bottom, f-plane, doubly periodic QG turbulence simulations and new results from two-layer β -plane QG turbulence simulations run in a basin geometry with both flat and rough bottoms. Baroclinicity in all of the simulations varies greatly with drag strength, with weak drag corresponding to more barotropic flow and strong drag corresponding to more baroclinic flow. The sensitivity of the baroclinicity in the QG basin simulations to bottom drag is considerably reduced, however, when rough topography is used in lieu of a flat bottom. Rough topography reduces the sensitivity of the eddy kinetic energy amplitude and horizontal length scales in the QG basin simulations to bottom drag to an even greater degree. The OGCM simulation behavior is qualitatively similar to that in the QG rough bottom basin simulations in that baroclinicity is more sensitive to bottom drag strength than are eddy amplitudes or horizontal length scales. Rough topography therefore appears to mediate the sensitivity of eddies in models to the strength of bottom drag. The sensitivity of eddies to parameterized topographic internal lee wave drag, which has recently been introduced into some OGCMs, is also briefly discussed. Wave drag acts like a strong bottom drag in that it increases the baroclinicity of the flow, without strongly affecting eddy horizontal length scales.

Ray tracing simulation of aero-optical effect using multiple gradient index layer

NASA Astrophysics Data System (ADS)

Yang, Seul Ki; Seong, Sehyun; Ryu, Dongok; Kim, Sug-Whan; Kwon, Hyeuknam; Jin, Sang-Hun; Jeong, Ho; Kong, Hyun Bae; Lim, Jae Wan; Choi, Jong Hwa

2016-10-01

We present a new ray tracing simulation of aero-optical effect through anisotropic inhomogeneous media as supersonic flow field surrounds a projectile. The new method uses multiple gradient-index (GRIN) layers for construction of the anisotropic inhomogeneous media and ray tracing simulation. The cone-shaped projectile studied has 19° semi-vertical angle; a sapphire window is parallel to the cone angle; and an optical system of the projectile was assumed via paraxial optics and infrared image detector. The condition for the steady-state solver conducted through computational fluid dynamics (CFD) included Mach numbers 4 and 6 in speed, 25 km altitude, and 0° angle of attack (AoA). The grid refractive index of the flow field via CFD analysis and Gladstone-Dale relation was discretized into equally spaced layers which are parallel with the projectile's window. Each layer was modeled as a form of 2D polynomial by fitting the refractive index distribution. The light source of ray set generated 3,228 rays for varying line of sight (LOS) from 10° to 40°. Ray tracing simulation adopted the Snell's law in 3D to compute the paths of skew rays in the GRIN layers. The results show that optical path difference (OPD) and boresight error (BSE) decreases exponentially as LOS increases. The variation of refractive index decreases, as the speed of flow field increases the OPD and its rate of decay at Mach number 6 in speed has somewhat larger value than at Mach number 4 in speed. Compared with the ray equation method, at Mach number 4 and 10° LOS, the new method shows good agreement, generated 0.33% of relative root-mean-square (RMS) OPD difference and 0.22% of relative BSE difference. Moreover, the simulation time of the new method was more than 20,000 times faster than the conventional ray equation method. The technical detail of the new method and simulation is presented with results and implication.

Remote Sensing Observations and Numerical Simulation for Martian Layered Ejecta Craters

NASA Astrophysics Data System (ADS)

Li, L.; Yue, Z.; Zhang, C.; Li, D.

2018-04-01

To understand past Martian climates, it is important to know the distribution and nature of water ice on Mars. Impact craters are widely used ubiquitous indicators for the presence of subsurface water or ice on Mars. Remote sensing observations and numerical simulation are powerful tools for investigating morphological and topographic features on planetary surfaces, and we can use the morphology of layered ejecta craters and hydrocode modeling to constrain possible layering and impact environments. The approach of this work consists of three stages. Firstly, the morphological characteristics of the Martian layered ejecta craters are performed based on Martian images and DEM data. Secondly, numerical modeling layered ejecta are performed through the hydrocode iSALE (impact-SALE). We present hydrocode modeling of impacts onto targets with a single icy layer within an otherwise uniform basalt crust to quantify the effects of subsurface H2O on observable layered ejecta morphologies. The model setup is based on a layered target made up of a regolithic layer (described by the basalt ANEOS), on top an ice layer (described by ANEOS equation of H2O ice), in turn on top of an underlying basaltic crust. The bolide is a 0.8 km diameter basaltic asteroid hitting the Martian surface vertically at a velocity of 12.8 km/s. Finally, the numerical results are compared with the MOLA DEM profile in order to analyze the formation mechanism of Martian layered ejecta craters. Our simulations suggest that the presence of an icy layer significantly modifies the cratering mechanics, and many of the unusual features of SLE craters may be explained by the presence of icy layers. Impact cratering on icy satellites is significantly affected by the presence of subsurface H2O.

A Non-Fickian Mixing Model for Stratified Turbulent Flows

DTIC Science & Technology

2013-09-30

lateral gradients in the mixed layer, indicative of surface fronts, and with the magnitude of mixed layer depth MLD. Direct testing with our results shows...both are induced by atmospheric forcing. In our case, atmospheric fluxes and wind forcing are still the cause of SM occurrence, but mostly through their...California upwelling simulations, where MLD did not change significantly between HR and LR simulations. As suggested by Capet et al. (2008b), this is likely

Simulation optimizing of n-type HIT solar cells with AFORS-HET

NASA Astrophysics Data System (ADS)

Yao, Yao; Xiao, Shaoqing; Zhang, Xiumei; Gu, Xiaofeng

2017-07-01

This paper presents a study of heterojunction with intrinsic thin layer (HIT) solar cells based on n-type silicon substrates by a simulation software AFORS-HET. We have studied the influence of thickness, band gap of intrinsic layer and defect densities of every interface. Details in mechanisms are elaborated as well. The results show that the optimized efficiency reaches more than 23% which may give proper suggestions to practical preparation for HIT solar cells industry.

Mars boundary layer simulations - Comparison with Viking lander and entry observations

NASA Technical Reports Server (NTRS)

Haberle, R. M.; Houben, H. C.

1991-01-01

Diurnal variations of wind and temperature in the lower Martian atmosphere are simulated with a boundary layer model that includes radiative heating in a dusty CO2 atmosphere, turbulence generated by convection and/or shear stresses, a surface heat budget, and time varying pressure forces due to sloping terrain. Model results for early northern summer are compared with Viking lander observations to determine the model's strengths and weaknesses, and suitability as an engineering model.

Eulerian and Lagrangian Parameterization of the Oceanic Mixed Layer using Large Eddy Simulation and MPAS-Ocean

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

Van Roekel, Luke

We have conducted a suite of Large Eddy Simulation (LES) to form the basis of a multi-model comparison (left). The results have led to proposed model improvements. We have verified that Eulerian-Lagrangian effective diffusivity estimates of mesoscale mixing are consistent with traditional particle statistics metrics (right). LES and Lagrangian particles will be utilized to better represent the movement of water into and out of the mixed layer.

Jet Formation and Penetration Study of Double-Layer Shaped Charge

NASA Astrophysics Data System (ADS)

Wang, Zhe; Jiang, Jian-Wei; Wang, Shu-You; Liu, Han

2018-04-01

A theoretical analysis on detonation wave propagation in a double-layer shaped charge (DLSC) is performed. Numerical simulations using the AUTODYN software are carried out to compare the distinctions between jet formations in DLSC and ordinary shaped charge (OSC), in particular, the OSC made using a higher detonation velocity explosive, which is treated as the outer layer charge in the DLSC. The results show that the improved detonation velocity ratio and radial charge percentage of outer-to-inner layer charge are conducive to the formation of a convergent detonation wave, which contributes to enhancement of jet tip velocity in DLSC. The thickness and mass percentages of liner flowing into jet in DLSC closely follow the exponential distribution along the radial direction, but the percentages in DLSC and the mass of effective jet, which have significant influence on the penetration depth, are lower than those in OSC with the outer layer charge. This implies that the total charge energy is the major factor controlling the effective jet formation, which is confirmed by the verification tests using flash X-ray system and following penetration tests. The numerical simulation and test results compare well, while penetration test results indicate that the performance of DLSC is not better than that of OSC with the outer layer charge, due to the differences in jet formation.

Aspects of Supercritical Turbulence: Direct Numerical Simulation of O2/H2 and C7H16/N2 Temporal Mixing Layers

NASA Technical Reports Server (NTRS)

Bellan, J.; Okongo, N. A.; Harstad, K. G.; Hutt, John (Technical Monitor)

2002-01-01

Results from Direct Numerical Simulations of temporal, supercritical mixing layers for two species systems are analyzed to elucidate species-specific turbulence aspects. The two species systems, O2/H2 and C7HG16/N2, have different thermodynamic characteristics; thus, although the simulations are performed at similar reduced pressure (ratio of the pressure to the critical pressure), the former system is dose to mixture ideality and has a relatively high solubility with respect to the latter, which exhibits strong departures from mixture ideality Due to the specified, smaller initial density stratification, the C7H16/N2 layers display higher growth and increased global molecular mixing as well as larger turbulence levels. However, smaller density gradients at the transitional state for the O2/H2 system indicate that on a local basis, the layer exhibits an enhanced mixing, this being attributed to the increased solubility and to mixture ideality. These thermodynamic features are shown to affect the irreversible entropy production (i.e. the dissipation), which is larger for the O2/H2 layer and is primarily concentrated in high density-gradient magnitude regions that are distortions of the initial density stratification boundary. In contrast, the regions of largest dissipation in the C7H16/N2 layer are located in high density-gradient magnitude regions resulting from the mixing of the two fluids.

Pore-scale Numerical Simulation Using Lattice Boltzmann Method for Mud Erosion in Methane Hydrate Bearing Layers

NASA Astrophysics Data System (ADS)

Yoshida, T.; Sato, T.; Oyama, H.

2014-12-01

Methane hydrates in subsea environments near Japan are believed to new natural gas resources. These methane hydrate crystals are very small and existed in the intergranular pores of sandy sediments in sand mud alternate layers. For gas production, several processes for recovering natural gas from the methane hydrate in a sedimentary reservoir have been proposed, but almost all technique are obtain dissociated gas from methane hydrates. When methane hydrates are dissociated, gas and water are existed. These gas and water are flown in pore space of sand mud alternate layers, and there is a possibility that the mud layer is eroded by these flows. It is considered that the mad erosion causes production trouble such as making skins or well instability. In this study, we carried out pore scale numerical simulation to represent mud erosion. This research aims to develop a fundamental simulation method based on LBM (Lattice Boltzmann Method). In the simulation, sand particles are generated numerically in simulation area which is approximately 200x200x200μm3. The periodic boundary condition is used except for mud layers. The water/gas flow in pore space is calculated by LBM, and shear stress distribution is obtained at the position flow interacting mud surface. From this shear stress, we consider that the driving force of mud erosion. As results, mud erosion can be reproduced numerically by adjusting the parameters such as critical shear stress. We confirmed that the simulation using LBM is appropriate for mud erosion.

Bio-mimicked atomic-layer-deposited iron oxide-based memristor with synaptic potentiation and depression functions

NASA Astrophysics Data System (ADS)

Wan, Xiang; Gao, Fei; Lian, Xiaojuan; Ji, Xincun; Hu, Ertao; He, Lin; Tong, Yi; Guo, Yufeng

2018-06-01

In this study, an iron oxide (FeO x )-based memristor was investigated for the realization of artificial synapses. An FeO x resistive switching layer was prepared by self-limiting atomic layer deposition (ALD). The movement of oxygen vacancies enabled the device to have history-dependent synaptic functions, which was further demonstrated by device modeling and simulation. Analog synaptic potentiation/depression in conductance was emulated by applying consecutive voltage pulses in the simulation. Our results suggest that the ALD FeO x -based memristor can be used as the basic building block for neural networks, neuromorphic systems, and brain-inspired computers.

Hybrid Large-Eddy/Reynolds-Averaged Simulation of a Supersonic Cavity Using VULCAN

NASA Technical Reports Server (NTRS)

Quinlan, Jesse; McDaniel, James; Baurle, Robert A.

2013-01-01

Simulations of a supersonic recessed-cavity flow are performed using a hybrid large-eddy/Reynolds-averaged simulation approach utilizing an inflow turbulence recycling procedure and hybridized inviscid flux scheme. Calorically perfect air enters a three-dimensional domain at a free stream Mach number of 2.92. Simulations are performed to assess grid sensitivity of the solution, efficacy of the turbulence recycling, and the effect of the shock sensor used with the hybridized inviscid flux scheme. Analysis of the turbulent boundary layer upstream of the rearward-facing step for each case indicates excellent agreement with theoretical predictions. Mean velocity and pressure results are compared to Reynolds-averaged simulations and experimental data for each case and indicate good agreement on the finest grid. Simulations are repeated on a coarsened grid, and results indicate strong grid density sensitivity. Simulations are performed with and without inflow turbulence recycling on the coarse grid to isolate the effect of the recycling procedure, which is demonstrably critical to capturing the relevant shear layer dynamics. Shock sensor formulations of Ducros and Larsson are found to predict mean flow statistics equally well.

Error Analysis of Indirect Broadband Monitoring of Multilayer Optical Coatings using Computer Simulations

NASA Astrophysics Data System (ADS)

Semenov, Z. V.; Labusov, V. A.

2017-11-01

Results of studying the errors of indirect monitoring by means of computer simulations are reported. The monitoring method is based on measuring spectra of reflection from additional monitoring substrates in a wide spectral range. Special software (Deposition Control Simulator) is developed, which allows one to estimate the influence of the monitoring system parameters (noise of the photodetector array, operating spectral range of the spectrometer and errors of its calibration in terms of wavelengths, drift of the radiation source intensity, and errors in the refractive index of deposited materials) on the random and systematic errors of deposited layer thickness measurements. The direct and inverse problems of multilayer coatings are solved using the OptiReOpt library. Curves of the random and systematic errors of measurements of the deposited layer thickness as functions of the layer thickness are presented for various values of the system parameters. Recommendations are given on using the indirect monitoring method for the purpose of reducing the layer thickness measurement error.

Detached eddy simulation for turbulent fluid-structure interaction of moving bodies using the constraint-based immersed boundary method

NASA Astrophysics Data System (ADS)

Nangia, Nishant; Bhalla, Amneet P. S.; Griffith, Boyce E.; Patankar, Neelesh A.

2016-11-01

Flows over bodies of industrial importance often contain both an attached boundary layer region near the structure and a region of massively separated flow near its trailing edge. When simulating these flows with turbulence modeling, the Reynolds-averaged Navier-Stokes (RANS) approach is more efficient in the former, whereas large-eddy simulation (LES) is more accurate in the latter. Detached-eddy simulation (DES), based on the Spalart-Allmaras model, is a hybrid method that switches from RANS mode of solution in attached boundary layers to LES in detached flow regions. Simulations of turbulent flows over moving structures on a body-fitted mesh incur an enormous remeshing cost every time step. The constraint-based immersed boundary (cIB) method eliminates this operation by placing the structure on a Cartesian mesh and enforcing a rigidity constraint as an additional forcing in the Navier-Stokes momentum equation. We outline the formulation and development of a parallel DES-cIB method using adaptive mesh refinement. We show preliminary validation results for flows past stationary bodies with both attached and separated boundary layers along with results for turbulent flows past moving bodies. This work is supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1324585.

A Top-Down Pathway to Secondary Eyewall Formation in Simulated Tropical Cyclones

NASA Astrophysics Data System (ADS)

Tyner, Bryce; Zhu, Ping; Zhang, Jun A.; Gopalakrishnan, Sundararaman; Marks, Frank; Tallapragada, Vijay

2018-01-01

Idealized and real-case simulations conducted using the Hurricane Weather Research and Forecasting (HWRF) model demonstrate a "top-down" pathway to secondary eyewall formation (SEF) for tropical cyclones (TCs). For the real-case simulations of Hurricane Rita (2005) and Hurricane Edouard (2014), a comparison to observations reveals the timing and overall characteristics of the simulated SEF appear realistic. An important control of the top-down pathway to SEF is the amount and radial-height distribution of hydrometeors at outer radii. Examination into the simulated hydrometeor particle fall speed distribution reveals that the HWRF operational microphysics scheme is not producing the lightest hydrometeors, which are likely present in observed TCs and are most conducive to being advected from the primary eyewall to the outer rainband region of the TC. Triggering of SEF begins with the fallout of hydrometeors at the outer radii from the TC primary eyewall, where penetrative downdrafts resulting from evaporative cooling of precipitation promote the development of local convection. As the convection-induced radial convergence that is initially located in the midtroposphere extends downward into the boundary layer, it results in the eruption of high entropy air out of the boundary layer. This leads to the rapid development of rainband convection and subsequent SEF via a positive feedback among precipitation, convection, and boundary layer processes.

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R.L.; Goodstein, D.M.; Cooper, B.H.

1989-05-15

Trajectories of Na{sup +} ions scattered from the Cu(110) surface in the <1 1bar 0> and <001> azimuths were studied for a range of incident energies from 56 eV to 4 keV. The goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, simulations were performed with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with the data. Ionmore » trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion-surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1 1bar 0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R. L.; Goodstein, D. M.; Cooper, B. H.

1989-05-15

We have investigated the trajectories of Na/sup +/ ions scattered from the Cu(110) surface in the <1/bar 1/0> and <001> azimuths for a range of incident energies from 56 eV to 4 keV. Our goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, we have performed simulations with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with themore » data. Ion trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion--surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1/bar 1/0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

A hypersonic aeroheating calculation method based on inviscid outer edge of boundary layer parameters

NASA Astrophysics Data System (ADS)

Meng, ZhuXuan; Fan, Hu; Peng, Ke; Zhang, WeiHua; Yang, HuiXin

2016-12-01

This article presents a rapid and accurate aeroheating calculation method for hypersonic vehicles. The main innovation is combining accurate of numerical method with efficient of engineering method, which makes aeroheating simulation more precise and faster. Based on the Prandtl boundary layer theory, the entire flow field is divided into inviscid and viscid flow at the outer edge of the boundary layer. The parameters at the outer edge of the boundary layer are numerically calculated from assuming inviscid flow. The thermodynamic parameters of constant-volume specific heat, constant-pressure specific heat and the specific heat ratio are calculated, the streamlines on the vehicle surface are derived and the heat flux is then obtained. The results of the double cone show that at the 0° and 10° angle of attack, the method of aeroheating calculation based on inviscid outer edge of boundary layer parameters reproduces the experimental data better than the engineering method. Also the proposed simulation results of the flight vehicle reproduce the viscid numerical results well. Hence, this method provides a promising way to overcome the high cost of numerical calculation and improves the precision.

The Balanced Cross-Layer Design Routing Algorithm in Wireless Sensor Networks Using Fuzzy Logic.

PubMed

Li, Ning; Martínez, José-Fernán; Hernández Díaz, Vicente

2015-08-10

Recently, the cross-layer design for the wireless sensor network communication protocol has become more and more important and popular. Considering the disadvantages of the traditional cross-layer routing algorithms, in this paper we propose a new fuzzy logic-based routing algorithm, named the Balanced Cross-layer Fuzzy Logic (BCFL) routing algorithm. In BCFL, we use the cross-layer parameters' dispersion as the fuzzy logic inference system inputs. Moreover, we give each cross-layer parameter a dynamic weight according the value of the dispersion. For getting a balanced solution, the parameter whose dispersion is large will have small weight, and vice versa. In order to compare it with the traditional cross-layer routing algorithms, BCFL is evaluated through extensive simulations. The simulation results show that the new routing algorithm can handle the multiple constraints without increasing the complexity of the algorithm and can achieve the most balanced performance on selecting the next hop relay node. Moreover, the Balanced Cross-layer Fuzzy Logic routing algorithm can adapt to the dynamic changing of the network conditions and topology effectively.

The Balanced Cross-Layer Design Routing Algorithm in Wireless Sensor Networks Using Fuzzy Logic

PubMed Central

Li, Ning; Martínez, José-Fernán; Díaz, Vicente Hernández

2015-01-01

Recently, the cross-layer design for the wireless sensor network communication protocol has become more and more important and popular. Considering the disadvantages of the traditional cross-layer routing algorithms, in this paper we propose a new fuzzy logic-based routing algorithm, named the Balanced Cross-layer Fuzzy Logic (BCFL) routing algorithm. In BCFL, we use the cross-layer parameters’ dispersion as the fuzzy logic inference system inputs. Moreover, we give each cross-layer parameter a dynamic weight according the value of the dispersion. For getting a balanced solution, the parameter whose dispersion is large will have small weight, and vice versa. In order to compare it with the traditional cross-layer routing algorithms, BCFL is evaluated through extensive simulations. The simulation results show that the new routing algorithm can handle the multiple constraints without increasing the complexity of the algorithm and can achieve the most balanced performance on selecting the next hop relay node. Moreover, the Balanced Cross-layer Fuzzy Logic routing algorithm can adapt to the dynamic changing of the network conditions and topology effectively. PMID:26266412

Influence of geologic layering on heat transport and storage in an aquifer thermal energy storage system

NASA Astrophysics Data System (ADS)

Bridger, D. W.; Allen, D. M.

2014-01-01

A modeling study was carried out to evaluate the influence of aquifer heterogeneity, as represented by geologic layering, on heat transport and storage in an aquifer thermal energy storage (ATES) system in Agassiz, British Columbia, Canada. Two 3D heat transport models were developed and calibrated using the flow and heat transport code FEFLOW including: a "non-layered" model domain with homogeneous hydraulic and thermal properties; and, a "layered" model domain with variable hydraulic and thermal properties assigned to discrete geological units to represent aquifer heterogeneity. The base model (non-layered) shows limited sensitivity for the ranges of all thermal and hydraulic properties expected at the site; the model is most sensitive to vertical anisotropy and hydraulic gradient. Simulated and observed temperatures within the wells reflect a combination of screen placement and layering, with inconsistencies largely explained by the lateral continuity of high permeability layers represented in the model. Simulation of heat injection, storage and recovery show preferential transport along high permeability layers, resulting in longitudinal plume distortion, and overall higher short-term storage efficiencies.

Real-time curling probe monitoring of dielectric layer deposited on plasma chamber wall

NASA Astrophysics Data System (ADS)

Hotta, Masaya; Ogawa, Daisuke; Nakamura, Keiji; Sugai, Hideo

2018-04-01

A microwave resonator probe called a curling probe (CP) was applied to in situ monitoring of a dielectric layer deposited on a chamber wall during plasma processing. The resonance frequency of the CP was analytically found to shift in proportion to the dielectric layer thickness; the proportionality constant was determined from a comparison with the finite-difference time-domain (FDTD) simulation result. Amorphous carbon layers deposited in acetylene inductively coupled plasma (ICP) discharge were monitored using the CP. The measured resonance frequency shift dictated the carbon layer thickness, which agreed with the results from the surface profiler and ellipsometry.

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study

NASA Astrophysics Data System (ADS)

Yang, Bin; Yang, Tianhong; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-02-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy-Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy-Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy-Forchheimer model was explained. The Darcy-Forchheimer model would be applicable in slope engineering applications with highly permeable rock.

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study.

PubMed

Yang, Bin; Yang, Tianhong; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-02-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy-Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy-Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy-Forchheimer model was explained. The Darcy-Forchheimer model would be applicable in slope engineering applications with highly permeable rock.

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study

PubMed Central

Yang, Bin; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-01-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy–Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy–Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy–Forchheimer model was explained. The Darcy–Forchheimer model would be applicable in slope engineering applications with highly permeable rock. PMID:29515904

WE-E-18A-01: Large Area Avalanche Amorphous Selenium Sensors for Low Dose X-Ray Imaging

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

Scheuermann, J; Goldan, A; Zhao, W

2014-06-15

Purpose: A large area indirect flat panel imager (FPI) with avalanche gain is being developed to achieve x-ray quantum noise limited low dose imaging. It uses a thin optical sensing layer of amorphous selenium (a-Se), known as High-Gain Avalanche Rushing Photoconductor (HARP), to detect optical photons generated from a high resolution x-ray scintillator. We will report initial results in the fabrication of a solid-state HARP structure suitable for a large area FPI. Our objective is to establish the blocking layer structures and defect suppression mechanisms that provide stable and uniform avalanche gain. Methods: Samples were fabricated as follows: (1) ITOmore » signal electrode. (2) Electron blocking layer. (3) A 15 micron layer of intrinsic a-Se. (4) Transparent hole blocking layer. (5) Multiple semitransparent bias electrodes to investigate avalanche gain uniformity over a large area. The sample was exposed to 50ps optical excitation pulses through the bias electrode. Transient time of flight (TOF) and integrated charge was measured. A charge transport simulation was developed to investigate the effects of varying blocking layer charge carrier mobility on defect suppression, avalanche gain and temporal performance. Results: Avalanche gain of ∼200 was achieved experimentally with our multi-layer HARP samples. Simulations using the experimental sensor structure produced the same magnitude of gain as a function of electric field. The simulation predicted that the high dark current at a point defect can be reduced by two orders of magnitude by blocking layer optimization which can prevent irreversible damage while normal operation remained unaffected. Conclusion: We presented the first solid state HARP structure directly scalable to a large area FPI. We have shown reproducible and uniform avalanche gain of 200. By reducing mobility of the blocking layers we can suppress defects and maintain stable avalanche. Future work will optimize the blocking layers to prevent lag and ghosting.« less

A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation

NASA Astrophysics Data System (ADS)

Weingarten, N. Scott; Mattson, William D.; Yau, Anthony D.; Weihs, Timothy P.; Rice, Betsy M.

2010-05-01

To elucidate the mechanisms of energy release in a reacting nickel/aluminum bilayer, we simulate the exothermic alloying reactions using both microcanonical and isoenthalpic-isobaric molecular dynamics simulations and an embedded-atom method type potential. The mechanism of the mixing consists of a sequence of steps in which mixing and reaction first occurs at the interface; the resulting heat generated from the mixing then melts the Al layer; subsequent mixing leads to further heat generation after which the Ni layer melts. The mixing continues until the alloying reactions are completed. The results indicate that pressure has a significant influence on the rates of atomic mixing and alloying reactions. Local pressures and temperatures within the individual layers at the time of melting are calculated, and these results are compared with the pressure-dependent melting curves determined for pure Al and pure Ni using this interaction potential.

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.

Towards Adaptive Grids for Atmospheric Boundary-Layer Simulations

NASA Astrophysics Data System (ADS)

van Hooft, J. Antoon; Popinet, Stéphane; van Heerwaarden, Chiel C.; van der Linden, Steven J. A.; de Roode, Stephan R.; van de Wiel, Bas J. H.

2018-02-01

We present a proof-of-concept for the adaptive mesh refinement method applied to atmospheric boundary-layer simulations. Such a method may form an attractive alternative to static grids for studies on atmospheric flows that have a high degree of scale separation in space and/or time. Examples include the diurnal cycle and a convective boundary layer capped by a strong inversion. For such cases, large-eddy simulations using regular grids often have to rely on a subgrid-scale closure for the most challenging regions in the spatial and/or temporal domain. Here we analyze a flow configuration that describes the growth and subsequent decay of a convective boundary layer using direct numerical simulation (DNS). We validate the obtained results and benchmark the performance of the adaptive solver against two runs using fixed regular grids. It appears that the adaptive-mesh algorithm is able to coarsen and refine the grid dynamically whilst maintaining an accurate solution. In particular, during the initial growth of the convective boundary layer a high resolution is required compared to the subsequent stage of decaying turbulence. More specifically, the number of grid cells varies by two orders of magnitude over the course of the simulation. For this specific DNS case, the adaptive solver was not yet more efficient than the more traditional solver that is dedicated to these types of flows. However, the overall analysis shows that the method has a clear potential for numerical investigations of the most challenging atmospheric cases.

Towards Adaptive Grids for Atmospheric Boundary-Layer Simulations

NASA Astrophysics Data System (ADS)

van Hooft, J. Antoon; Popinet, Stéphane; van Heerwaarden, Chiel C.; van der Linden, Steven J. A.; de Roode, Stephan R.; van de Wiel, Bas J. H.

2018-06-01

We present a proof-of-concept for the adaptive mesh refinement method applied to atmospheric boundary-layer simulations. Such a method may form an attractive alternative to static grids for studies on atmospheric flows that have a high degree of scale separation in space and/or time. Examples include the diurnal cycle and a convective boundary layer capped by a strong inversion. For such cases, large-eddy simulations using regular grids often have to rely on a subgrid-scale closure for the most challenging regions in the spatial and/or temporal domain. Here we analyze a flow configuration that describes the growth and subsequent decay of a convective boundary layer using direct numerical simulation (DNS). We validate the obtained results and benchmark the performance of the adaptive solver against two runs using fixed regular grids. It appears that the adaptive-mesh algorithm is able to coarsen and refine the grid dynamically whilst maintaining an accurate solution. In particular, during the initial growth of the convective boundary layer a high resolution is required compared to the subsequent stage of decaying turbulence. More specifically, the number of grid cells varies by two orders of magnitude over the course of the simulation. For this specific DNS case, the adaptive solver was not yet more efficient than the more traditional solver that is dedicated to these types of flows. However, the overall analysis shows that the method has a clear potential for numerical investigations of the most challenging atmospheric cases.

Basic Simulation Environment for Highly Customized Connected and Autonomous Vehicle Kinematic Scenarios.

PubMed

Chai, Linguo; Cai, Baigen; ShangGuan, Wei; Wang, Jian; Wang, Huashen

2017-08-23

To enhance the reality of Connected and Autonomous Vehicles (CAVs) kinematic simulation scenarios and to guarantee the accuracy and reliability of the verification, a four-layer CAVs kinematic simulation framework, which is composed with road network layer, vehicle operating layer, uncertainties modelling layer and demonstrating layer, is proposed in this paper. Properties of the intersections are defined to describe the road network. A target position based vehicle position updating method is designed to simulate such vehicle behaviors as lane changing and turning. Vehicle kinematic models are implemented to maintain the status of the vehicles when they are moving towards the target position. Priorities for individual vehicle control are authorized for different layers. Operation mechanisms of CAVs uncertainties, which are defined as position error and communication delay in this paper, are implemented in the simulation to enhance the reality of the simulation. A simulation platform is developed based on the proposed methodology. A comparison of simulated and theoretical vehicle delay has been analyzed to prove the validity and the creditability of the platform. The scenario of rear-end collision avoidance is conducted to verify the uncertainties operating mechanisms, and a slot-based intersections (SIs) control strategy is realized and verified in the simulation platform to show the supports of the platform to CAVs kinematic simulation and verification.

Basic Simulation Environment for Highly Customized Connected and Autonomous Vehicle Kinematic Scenarios

PubMed Central

Chai, Linguo; Cai, Baigen; ShangGuan, Wei; Wang, Jian; Wang, Huashen

2017-01-01

To enhance the reality of Connected and Autonomous Vehicles (CAVs) kinematic simulation scenarios and to guarantee the accuracy and reliability of the verification, a four-layer CAVs kinematic simulation framework, which is composed with road network layer, vehicle operating layer, uncertainties modelling layer and demonstrating layer, is proposed in this paper. Properties of the intersections are defined to describe the road network. A target position based vehicle position updating method is designed to simulate such vehicle behaviors as lane changing and turning. Vehicle kinematic models are implemented to maintain the status of the vehicles when they are moving towards the target position. Priorities for individual vehicle control are authorized for different layers. Operation mechanisms of CAVs uncertainties, which are defined as position error and communication delay in this paper, are implemented in the simulation to enhance the reality of the simulation. A simulation platform is developed based on the proposed methodology. A comparison of simulated and theoretical vehicle delay has been analyzed to prove the validity and the creditability of the platform. The scenario of rear-end collision avoidance is conducted to verify the uncertainties operating mechanisms, and a slot-based intersections (SIs) control strategy is realized and verified in the simulation platform to show the supports of the platform to CAVs kinematic simulation and verification. PMID:28832518

Simulated precipitation diurnal cycles over East Asia using different CAPE-based convective closure schemes in WRF model

NASA Astrophysics Data System (ADS)

Yang, Ben; Zhou, Yang; Zhang, Yaocun; Huang, Anning; Qian, Yun; Zhang, Lujun

2018-03-01

Closure assumption in convection parameterization is critical for reasonably modeling the precipitation diurnal variation in climate models. This study evaluates the precipitation diurnal cycles over East Asia during the summer of 2008 simulated with three convective available potential energy (CAPE) based closure assumptions, i.e. CAPE-relaxing (CR), quasi-equilibrium (QE), and free-troposphere QE (FTQE) and investigates the impacts of planetary boundary layer (PBL) mixing, advection, and radiation on the simulation by using the weather research and forecasting model. The sensitivity of precipitation diurnal cycle to PBL vertical resolution is also examined. Results show that the precipitation diurnal cycles simulated with different closures all exhibit large biases over land and the simulation with FTQE closure agrees best with observation. In the simulation with QE closure, the intensified PBL mixing after sunrise is responsible for the late-morning peak of convective precipitation, while in the simulation with FTQE closure, convective precipitation is mainly controlled by advection cooling. The relative contributions of different processes to precipitation formation are functions of rainfall intensity. In the simulation with CR closure, the dynamical equilibrium in the free troposphere still can be reached, implying the complex cause-effect relationship between atmospheric motion and convection. For simulations in which total CAPE is consumed for the closures, daytime precipitation decreases with increased PBL resolution because thinner model layer produces lower convection starting layer, leading to stronger downdraft cooling and CAPE consumption. The sensitivity of the diurnal peak time of precipitation to closure assumption can also be modulated by changes in PBL vertical resolution. The results of this study help us better understand the impacts of various processes on the precipitation diurnal cycle simulation.

Direct numerical simulation of turbulent Rayleigh-Bénard convection in a vertical thin disk

NASA Astrophysics Data System (ADS)

Xu, Wei; Wang, Yin; He, Xiao-Zhou; Yik, Hiu-Fai; Wang, Xiao-Ping; Schumacher, Jorg; Tong, Penger

2017-11-01

We report a direct numerical simulation (DNS) of turbulent Rayleigh-Bénard convection in a thin vertical disk with a high-order spectral element method code NEK5000. An unstructured mesh is used to adapt the turbulent flow in the thin disk and to ensure that the mesh sizes satisfy the refined Groetzbach criterion and a new criterion for thin boundary layers proposed by Shishkina et al. The DNS results for the mean and variance temperature profiles in the thermal boundary layer region are found to be in good agreement with the predictions of the new boundary layer models proposed by Shishkina et al. and Wang et al.. Furthermore, we numerically calculate the five budget terms in the boundary layer equation, which are difficult to measure in experiment. The DNS results agree well with the theoretical predictions by Wang et al. Our numerical work thus provides a strong support for the development of a common framework for understanding the effect of boundary layer fluctuations. This work was supported in part by Hong Kong Research Grants Council.

Comparison of a layered slab and an atlas head model for Monte Carlo fitting of time-domain near-infrared spectroscopy data of the adult head

PubMed Central

Selb, Juliette; Ogden, Tyler M.; Dubb, Jay; Fang, Qianqian; Boas, David A.

2014-01-01

Abstract. Near-infrared spectroscopy (NIRS) estimations of the adult brain baseline optical properties based on a homogeneous model of the head are known to introduce significant contamination from extracerebral layers. More complex models have been proposed and occasionally applied to in vivo data, but their performances have never been characterized on realistic head structures. Here we implement a flexible fitting routine of time-domain NIRS data using graphics processing unit based Monte Carlo simulations. We compare the results for two different geometries: a two-layer slab with variable thickness of the first layer and a template atlas head registered to the subject’s head surface. We characterize the performance of the Monte Carlo approaches for fitting the optical properties from simulated time-resolved data of the adult head. We show that both geometries provide better results than the commonly used homogeneous model, and we quantify the improvement in terms of accuracy, linearity, and cross-talk from extracerebral layers. PMID:24407503

Numerical analysis of drilling hole work-hardening effects in hole-drilling residual stress measurement

NASA Astrophysics Data System (ADS)

Li, H.; Liu, Y. H.

2008-11-01

The hole-drilling strain gage method is an effective semi-destructive technique for determining residual stresses in the component. As a mechanical technique, a work-hardening layer will be formed on the surface of the hole after drilling, and affect the strain relaxation. By increasing Young's modulus of the material near the hole, the work-hardening layer is simplified as a heterogeneous annulus. As an example, two finite rectangular plates submitted to different initial stresses are treated, and the relieved strains are measured by finite element simulation. The accuracy of the measurement is estimated by comparing the simulated residual stresses with the given initial ones. The results are shown for various hardness of work-hardening layer. The influence of the relative position of the gages compared with the thickness of the work-hardening layer, and the effect of the ratio of hole diameter to work-hardening layer thickness are analyzed as well.

The role of elasticity in simulating long-term tectonic extension

NASA Astrophysics Data System (ADS)

Olive, Jean-Arthur; Behn, Mark D.; Mittelstaedt, Eric; Ito, Garrett; Klein, Benjamin Z.

2016-05-01

While elasticity is a defining characteristic of the Earth's lithosphere, it is often ignored in numerical models of long-term tectonic processes in favour of a simpler viscoplastic description. Here we assess the consequences of this assumption on a well-studied geodynamic problem: the growth of normal faults at an extensional plate boundary. We conduct 2-D numerical simulations of extension in elastoplastic and viscoplastic layers using a finite difference, particle-in-cell numerical approach. Our models simulate a range of faulted layer thicknesses and extension rates, allowing us to quantify the role of elasticity on three key observables: fault-induced topography, fault rotation, and fault life span. In agreement with earlier studies, simulations carried out in elastoplastic layers produce rate-independent lithospheric flexure accompanied by rapid fault rotation and an inverse relationship between fault life span and faulted layer thickness. By contrast, models carried out with a viscoplastic lithosphere produce results that may qualitatively resemble the elastoplastic case, but depend strongly on the product of extension rate and layer viscosity U × ηL. When this product is high, fault growth initially generates little deformation of the footwall and hanging wall blocks, resulting in unrealistic, rigid block-offset in topography across the fault. This configuration progressively transitions into a regime where topographic decay associated with flexure is fully accommodated within the numerical domain. In addition, high U × ηL favours the sequential growth of multiple short-offset faults as opposed to a large-offset detachment. We interpret these results by comparing them to an analytical model for the fault-induced flexure of a thin viscous plate. The key to understanding the viscoplastic model results lies in the rate-dependence of the flexural wavelength of a viscous plate, and the strain rate dependence of the force increase associated with footwall and hanging wall bending. This behaviour produces unrealistic deformation patterns that can hinder the geological relevance of long-term rifting models that assume a viscoplastic rheology.

Numerical Simulation of Stationary AC Tungsten Inert Gas Welding of Aluminum Plate in Consideration of Oxide Layer Cleaning

NASA Astrophysics Data System (ADS)

Tashiro, Shinichi; Tanaka, Manabu

An unified numerical simulation model of AC TIG welding of the aluminum plate considering energy balance among the electrode, the arc and the base metal and employing an analytical model for calculating cleaning rate of the oxide layer has been developed for investigating heat transport properties and weld pool formation process in AC TIG welding of aluminum plate. As a result of this simulation, it was shown that although the heat flux from the arc onto the base metal increases in EN (Electrode Negative) phase due to the electron condensation, that in EP (Electrode Positive) phase conversely decreases because mainly of cooling caused by the electron emission. Furthermore, the validity of the simulation model was confirmed by comparing to experimental results such as the arc voltage, the area of cleaning zone and the shape of weld pool.

Self-similarity of a Rayleigh–Taylor mixing layer at low Atwood number with a multimode initial perturbation

DOE PAGES

Morgan, B. E.; Olson, B. J.; White, J. E.; ...

2017-06-29

High-fidelity large eddy simulation (LES) of a low-Atwood number (A = 0.05) Rayleigh-Taylor mixing layer is performed using the tenth-order compact difference code Miranda. An initial multimode perturbation spectrum is specified in Fourier space as a function of mesh resolution such that a database of results is obtained in which each successive level of increased grid resolution corresponds approximately to one additional doubling of the mixing layer width, or generation. The database is then analyzed to determine approximate requirements for self-similarity, and a new metric is proposed to quantify how far a given simulation is from the limit of self-similarity.more » It is determined that mixing layer growth reaches a high degree of self-similarity after approximately 4.5 generations. Statistical convergence errors and boundary effects at late time, however, make it impossible to draw similar conclusions regarding the self-similar growth of more sensitive turbulence parameters. Finally, self-similar turbulence profiles from the LES database are compared with one-dimensional simulations using the k-L-a and BHR-2 Reynolds-averaged Navier-Stokes (RANS) models. The k-L-a model, which is calibrated to reproduce a quadratic turbulence kinetic energy profile for a self-similar mixing layer, is found to be in better agreement with the LES than BHR-2 results.« less

Generating Inviscid and Viscous Fluid-Flow Simulations over an Aircraft Surface Using a Fluid-Flow Mesh

NASA Technical Reports Server (NTRS)

Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)

2013-01-01

Fluid-flow simulation over a computer-generated aircraft surface is generated using inviscid and viscous simulations. A fluid-flow mesh of fluid cells is obtained. At least one inviscid fluid property for the fluid cells is determined using an inviscid fluid simulation that does not simulate fluid viscous effects. A set of intersecting fluid cells that intersects the aircraft surface are identified. One surface mesh polygon of the surface mesh is identified for each intersecting fluid cell. A boundary-layer prediction point for each identified surface mesh polygon is determined. At least one boundary-layer fluid property for each boundary-layer prediction point is determined using the at least one inviscid fluid property of the corresponding intersecting fluid cell and a boundary-layer simulation that simulates fluid viscous effects. At least one updated fluid property for at least one fluid cell is determined using the at least one boundary-layer fluid property and the inviscid fluid simulation.

DYNAMICS OF TURBULENT CONVECTION AND CONVECTIVE OVERSHOOT IN A MODERATE-MASS STAR

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

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

We present results of realistic three-dimensional (3D) radiative hydrodynamic simulations of the outer layers of a moderate-mass star (1.47 M {sub ⊙}), including the full convection zone, the overshoot region, and the top layers of the radiative zone. The simulation results show that the surface granulation has a broad range of scales, from 2 to 12 Mm, and that large granules are organized in well-defined clusters, consisting of several granules. Comparison of the mean structure profiles from 3D simulations with the corresponding one-dimensional (1D) standard stellar model shows an increase of the stellar radius by ∼800 km, as well as significantmore » changes in the thermodynamic structure and turbulent properties of the ionization zones. Convective downdrafts in the intergranular lanes between granulation clusters reach speeds of more than 20 km s{sup −1}, penetrate through the whole convection zone, hit the radiative zone, and form an 8 Mm thick overshoot layer. Contrary to semi-empirical overshooting models, our results show that the 3D dynamic overshoot region consists of two layers: a nearly adiabatic extension of the convection zone and a deeper layer of enhanced subadiabatic stratification. This layer is formed because of heating caused by the braking of the overshooting convective plumes. This effect has to be taken into account in stellar modeling and the interpretation of asteroseismology data. In particular, we demonstrate that the deviations of the mean structure of the 3D model from the 1D standard model of the same mass and composition are qualitatively similar to the deviations for the Sun found by helioseismology.« less

Quantitative HAADF STEM of SiGe in presence of amorphous surface layers from FIB preparation.

PubMed

Grieb, Tim; Tewes, Moritz; Schowalter, Marco; Müller-Caspary, Knut; Krause, Florian F; Mehrtens, Thorsten; Hartmann, Jean-Michel; Rosenauer, Andreas

2018-01-01

The chemical composition of four Si 1-x Ge x layers grown on silicon was determined from quantitative scanning transmission electron microscopy (STEM). The chemical analysis was performed by a comparison of the high-angle annular dark field (HAADF) intensity with multislice simulations. It could be shown that amorphous surface layers originating from the preparation process by focused-ion beam (FIB) at 30 kV have a strong influence on the quantification: the local specimen thickness is overestimated by approximately a factor of two, and the germanium concentration is substantially underestimated. By means of simulations, the effect of amorphous surface layers on the HAADF intensity of crystalline silicon and germanium is investigated. Based on these simulations, a method is developed to analyze the experimental HAADF-STEM images by taking the influence of the amorphous layers into account which is done by a reduction of the intensities by multiplication with a constant factor. This suggested modified HAADF analysis gives germanium concentrations which are in agreement with the nominal values. The same TEM lamella was treated with low-voltage ion milling which removed the amorphous surface layers completely. The results from subsequent quantitative HAADF analyses are in agreement with the nominal concentrations which validates the applicability of the used frozen-lattice based multislice simulations to describe the HAADF scattering of Si 1-x Ge x in STEM. Copyright © 2017 Elsevier B.V. All rights reserved.

Kinetic Monte Carlo simulation of nanoparticle film formation via nanocolloid drying

NASA Astrophysics Data System (ADS)

Kameya, Yuki

2017-06-01

A kinetic Monte Carlo simulation of nanoparticle film formation via nanocolloid drying is presented. The proposed two-dimensional model addresses the dynamics of nanoparticles in the vertical plane of a drying nanocolloid film. The gas-liquid interface movement due to solvent evaporation was controlled by a time-dependent chemical potential, and the resultant particle dynamics including Brownian diffusion and aggregate growth were calculated. Simulations were performed at various Peclet numbers defined based on the rate ratio of solvent evaporation and nanoparticle diffusion. At high Peclet numbers, nanoparticles accumulated at the top layer of the liquid film and eventually formed a skin layer, causing the formation of a particulate film with a densely packed structure. At low Peclet numbers, enhanced particle diffusion led to significant particle aggregation in the bulk colloid, and the resulting film structure became highly porous. The simulated results showed some typical characteristics of a drying nanocolloid that had been reported experimentally. Finally, the potential of the model as well as the remaining challenges are discussed.

Biologically inspired multi-layered synthetic skin for tactile feedback in prosthetic limbs.

PubMed

Osborn, Luke; Nguyen, Harrison; Betthauser, Joseph; Kaliki, Rahul; Thakor, Nitish

2016-08-01

The human body offers a template for many state-of-the-art prosthetic devices and sensors. In this work, we present a novel, sensorized synthetic skin that mimics the natural multi-layered nature of mechanoreceptors found in healthy glabrous skin to provide tactile information. The multi-layered sensor is made up of flexible piezoresistive textiles that act as force sensitive resistors (FSRs) to convey tactile information, which are embedded within a silicone rubber to resemble the compliant nature of human skin. The top layer of the synthetic skin is capable of detecting small loads less than 5 N whereas the bottom sensing layer responds reliably to loads over 7 N. Finite element analysis (FEA) of a simplified human fingertip and the synthetic skin was performed. Results suggest similarities in behavior during loading. A natural tactile event is simulated by loading the synthetic skin on a prosthetic limb. Results show the sensors' ability to detect applied loads as well as the ability to simulate neural spiking activity based on the derivative and temporal differences of the sensor response. During the tactile loading, the top sensing layer responded 0.24 s faster than the bottom sensing layer. A synthetic biologically-inspired skin such as this will be useful for enhancing the functionality of prosthetic limbs through tactile feedback.

A near one-dimensional indirectly driven implosion at convergence ratio 30

NASA Astrophysics Data System (ADS)

MacLaren, S. A.; Masse, L. P.; Czajka, C. E.; Khan, S. F.; Kyrala, G. A.; Ma, T.; Ralph, J. E.; Salmonson, J. D.; Bachmann, B.; Benedetti, L. R.; Bhandarkar, S. D.; Bradley, P. A.; Hatarik, R.; Herrmann, H. W.; Mariscal, D. A.; Millot, M.; Patel, P. K.; Pino, J. E.; Ratledge, M.; Rice, N. G.; Tipton, R. E.; Tommasini, R.; Yeamans, C. B.

2018-05-01

Inertial confinement fusion cryogenic-layered implosions at the National Ignition Facility, while successfully demonstrating self-heating due to alpha-particle deposition, have fallen short of the performance predicted by one-dimensional (1D) multi-physics implosion simulations. The current understanding, from experimental evidence as well as simulations, suggests that engineering features such as the capsule tent and fill tube, as well as time-dependent low-mode asymmetry, are to blame for the lack of agreement. A short series of experiments designed specifically to avoid these degradations to the implosion are described here in order to understand if, once they are removed, a high-convergence cryogenic-layered deuterium-tritium implosion can achieve the 1D simulated performance. The result is a cryogenic layered implosion, round at stagnation, that matches closely the performance predicted by 1D simulations. This agreement can then be exploited to examine the sensitivity of approximations in the model to the constraints imposed by the data.

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.

Accessing the band alignment in high efficiency Cu(In,Ga)(Se,S)2 (CIGSSe) solar cells with an InxSy:Na buffer based on temperature dependent measurements and simulations

NASA Astrophysics Data System (ADS)

Schoneberg, Johannes; Ohland, Jörg; Eraerds, Patrick; Dalibor, Thomas; Parisi, Jürgen; Richter, Michael

2018-04-01

We present a one-dimensional simulation model for high efficiency Cu(In,Ga)(Se,S)2 solar cells with a novel band alignment at the hetero-junction. The simulation study is based on new findings about the doping concentration of the InxSy:Na buffer and i-ZnO layers as well as comprehensive solar cell characterization by means of capacitance, current voltage, and external quantum efficiency measurements. The simulation results show good agreement with the experimental data over a broad temperature range, suggesting the simulation model with an interface-near region (INR) of approximately 100 nm around the buffer/absorber interface that is of great importance for the solar cell performance. The INR exhibits an inhomogeneous doping and defect density profile as well as interface traps at the i-layer/buffer and buffer/absorber interfaces. These crucial parameters could be accessed via their opposing behavior on the simulative reconstruction of different measurement characteristics. In this work, we emphasize the necessity to reconstruct the results of a set of experimental methods by means of simulation to find the most appropriate model for the solar cell. Lowly doped buffer and intrinsic window layers in combination with a high space charge at the front of the absorber lead to a novel band alignment in the simulated band structure of the solar cell. The presented insights may guide the strategy of further solar cell optimization including (alkali-) post deposition treatments.

Differential rotation in solar-like stars from global simulations

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

Guerrero, G.; Kosovichev, A. G.; Smolarkiewicz, P. K.

2013-12-20

To explore the physics of large-scale flows in solar-like stars, we perform three-dimensional anelastic simulations of rotating convection for global models with stratification resembling the solar interior. The numerical method is based on an implicit large-eddy simulation approach designed to capture effects from non-resolved small scales. We obtain two regimes of differential rotation, with equatorial zonal flows accelerated either in the direction of rotation (solar-like) or in the opposite direction (anti-solar). While the models with the solar-like differential rotation tend to produce multiple cells of meridional circulation, the models with anti-solar differential rotation result in only one or two meridionalmore » cells. Our simulations indicate that the rotation and large-scale flow patterns critically depend on the ratio between buoyancy and Coriolis forces. By including a sub-adiabatic layer at the bottom of the domain, corresponding to the stratification of a radiative zone, we reproduce a layer of strong radial shear similar to the solar tachocline. Similarly, enhanced super-adiabaticity at the top results in a near-surface shear layer located mainly at lower latitudes. The models reveal a latitudinal entropy gradient localized at the base of the convection zone and in the stable region, which, however, does not propagate across the convection zone. In consequence, baroclinicity effects remain small, and the rotation isocontours align in cylinders along the rotation axis. Our results confirm the alignment of large convective cells along the rotation axis in the deep convection zone and suggest that such 'banana-cell' pattern can be hidden beneath the supergranulation layer.« less

Time-varying Atmospheric Circulation Patterns Caused by N2 Condensation Flows on a Simulated Triton Atmosphere

NASA Astrophysics Data System (ADS)

Miller, C.; Chanover, N.; Murphy, J. R.; Zalucha, A. M.

2011-12-01

Triton and Pluto are two members of a possible class of bodies with an N2 frost covered surface in vapor-pressure equilibrium with a predominately N2 atmosphere. Modeling the dynamics of such an atmosphere is useful for several reasons. First, winds on Triton were inferred from images of surface streaks and active plumes visible at the time of the Voyager 2 flyby in August 1989. Dynamic atmospheric simulations can reveal the seasonal conditions under which such winds would arise and therefore how long before the Voyager 2 encounter the ground streaks may have been deposited. Second, atmospheric conditions on Pluto at the time of the New Horizons flyby are expected to be similar to those on Triton. Therefore, a dynamical model of a cold, thin N2 atmosphere can be used to predict wind speed and direction on Pluto during the New Horizons encounter with the Pluto/Charon system in July 2015. We used a modified version of the NASA Ames Mars General Circulation Model, version 2.0, to model an N2 atmosphere in contact with N2 surface frosts. We altered the Ames GCM to simulate conditions found on Triton. These alterations included changing the size, rotation rate, orbital inclination, surface gravity, and distance to the Sun of the parent body to model the proper time-varying insolation. We defined the gas properties for an N2 atmosphere, including values for latent heat, specific heat, and the vapor pressure-temperature relationship for N2 frosts. Our simulations assumed an N2 atmosphere with an initial average surface pressure of 18 microbars and we chose N2 frost albedo and emissivity values that resulted in a stable surface pressure over time. We incorporated a 190-meter deep ten-layer water-ice subsurface layer covered with a 20-centimeter global layer of N2 frost. Our simulations did not include atmospheric radiative heat transfer, but did include conduction, convection, and surface-boundary layer heating. We ran simulations of 100 Triton days at 10 points along Triton's orbit between the 1952 equinox and the 2000 southern summer solstice to examine seasonal changes in the condensation flow. We will present results from these simulations and discuss the interplay between sub-surface heat conduction, N2 frost phase changes, and atmospheric dynamics. We will also compare these results to those obtained under two other initial surface conditions - no N2 frost layer, and a global N2 frost layer with sublimation and condensation inhibited. These simulations provide a baseline for disentangling the respective roles of subsurface heating, local atmospheric mass change through surface frost sublimation and condensation, and the vapor pressure-temperature relationship for N2 frost. We will also present results of simulations incorporating a Newtonian thermal relaxation scheme with temperature-pressure profiles derived from a 2-D radiative-conductive model. Finally, we will compare our simulation results under conditions equivalent to those at the time of the Voyager 2 flyby to the wind field inferred by the pattern of ground streaks seen on Triton. This study was funded by a NASA Earth and Space Science Fellowship through grant number NNX09AQ96H.

Quality and sensitivity of high-resolution numerical simulation of urban heat islands

NASA Astrophysics Data System (ADS)

Li, Dan; Bou-Zeid, Elie

2014-05-01

High-resolution numerical simulations of the urban heat island (UHI) effect with the widely-used Weather Research and Forecasting (WRF) model are assessed. Both the sensitivity of the results to the simulation setup, and the quality of the simulated fields as representations of the real world, are investigated. Results indicate that the WRF-simulated surface temperatures are more sensitive to the planetary boundary layer (PBL) scheme choice during nighttime, and more sensitive to the surface thermal roughness length parameterization during daytime. The urban surface temperatures simulated by WRF are also highly sensitive to the urban canopy model (UCM) used. The implementation in this study of an improved UCM (the Princeton UCM or PUCM) that allows the simulation of heterogeneous urban facets and of key hydrological processes, together with the so-called CZ09 parameterization for the thermal roughness length, significantly reduce the bias (<1.5 °C) in the surface temperature fields as compared to satellite observations during daytime. The boundary layer potential temperature profiles are captured by WRF reasonable well at both urban and rural sites; the biases in these profiles relative to aircraft-mounted senor measurements are on the order of 1.5 °C. Changing UCMs and PBL schemes does not alter the performance of WRF in reproducing bulk boundary layer temperature profiles significantly. The results illustrate the wide range of urban environmental conditions that various configurations of WRF can produce, and the significant biases that should be assessed before inferences are made based on WRF outputs. The optimal set-up of WRF-PUCM developed in this paper also paves the way for a confident exploration of the city-scale impacts of UHI mitigation strategies in the companion paper (Li et al 2014).

A Monte Carlo simulation and setup optimization of output efficiency to PGNAA thermal neutron using 252Cf neutrons

NASA Astrophysics Data System (ADS)

Zhang, Jin-Zhao; Tuo, Xian-Guo

2014-07-01

We present the design and optimization of a prompt γ-ray neutron activation analysis (PGNAA) thermal neutron output setup based on Monte Carlo simulations using MCNP5 computer code. In these simulations, the moderator materials, reflective materials, and structure of the PGNAA 252Cf neutrons of thermal neutron output setup are optimized. The simulation results reveal that the thin layer paraffin and the thick layer of heavy water moderating effect work best for the 252Cf neutron spectrum. Our new design shows a significantly improved performance of the thermal neutron flux and flux rate, that are increased by 3.02 times and 3.27 times, respectively, compared with the conventional neutron source design.

Polymer based organic solar cells using ink-jet printed active layers

NASA Astrophysics Data System (ADS)

Aernouts, T.; Aleksandrov, T.; Girotto, C.; Genoe, J.; Poortmans, J.

2008-01-01

Ink-jet printing is used to deposit polymer:fullerene blends suitable as active layer for organic solar cells. We show that merging of separately deposited ink droplets into a continuous, pinhole-free organic thin film results from a balance between ink viscosity and surface wetting, whereas for certain of the studied solutions clear coffee drop effect occurs for single droplets; this can be minimized for larger printed areas, yielding smooth layers with minimal surface roughness. Resulting organic films are used as active layer for solar cells with power conversion efficiency of 1.4% under simulated AM1.5 solar illumination.

Analysis of the disturbed electric field effects in the sporadic E-layers at equatorial and low latitude regions

NASA Astrophysics Data System (ADS)

Araujo Resende, Laysa Cristina; Moro, Juliano; Denardini, Clezio Marcos; Carrasco, Alexander J.; Batista, Paulo; Chen, Sony Su; Batista, Inez S.; Andrioli, Vania Fatima

2016-07-01

In the present work we analyze the disturbed electric field effects in the sporadic E-layers at equatorial regions, Jicamarca (11.57°S, 76.52°O, I: -2°) and São Luís (2°S, 44° O, I: -2.3°), and at low latitude regions, Fortaleza (3.9°S, 38.45°O, I: -9°) and Cachoeira Paulista (22.42°S, 45°O, I: -15°). We have conducted a deep analysis to investigate these effects using a theoretical model for the ionospheric E region, called MIRE. This model is able to simulate the Es layers taking into account the E region winds and electric fields. It calculates the densities for the main molecular (NO^{+}, O_{2}^{+}, N_{2}^{+}) and metallic ions (Fe^{+}, Mg^{+}) by solving the continuity and momentum equations for each species. The main purpose of this analysis is to verify the disturbed electric fields role in the occurrence or disruption of Es layers through simulations. The analysis show that the Es layer formation and dynamics can be influenced by the prompt penetration electric fields that occur during magnetic disturbances. Therefore, the simulations present interesting results that helps to improve the understanding of Es layer behavior during the disturbed periods.

A Numerical Model of Viscoelastic Layer Entrainment by Airflow in Cough

NASA Astrophysics Data System (ADS)

Mitran, Sorin M.

2008-07-01

Coughing is an alternative mode of ensuring mucus clearance in the lung when normal cilia induced flow breaks down. A numerical model of this process is presented with the following aspects. (1) A portion of the airway comprising the first three bronchus generations is modeled as radially reinforced elastic tubes. Elasticity equations are solved to predict airway deformation under effect of airway pressure. (2) The compressible, turbulent flow induced by rapid lung contraction is modeled by direct numerical simulation for Reynolds numbers in the range 5,000-10,000 and by Large Eddy Simulation for Reynolds numbers in the range 5,000-40,000. (3) A two-layer model of the airway surface liquid (ASL) covering the airway epithelial layer is used. The periciliary liquid (PCL) in direct contact with the epithelial layer is considered to be a Newtonian fluid. Forces modeling cilia beating can act upon this layer. The mucus layer between the PCL and the interior airflow is modeled as an Oldroyd-B fluid. The overall computation is a fluid-structure interaction simulation that tracks changes in ASL thickness and airway diameters that result from impulsive airflow boundary conditions imposed at bronchi ends. In particular, the amount of mucus that is evacuated from the system is computed as a function of cough intensity and mucus rheological properties.

The effects of electron and hole transport layer with the electrode work function on perovskite solar cells

NASA Astrophysics Data System (ADS)

Deng, Quanrong; Li, Yiqi; Chen, Lian; Wang, Shenggao; Wang, Geming; Sheng, Yonglong; Shao, Guosheng

2016-09-01

The effects of electron and hole transport layer with the electrode work function on perovskite solar cells with the interface defects were simulated by using analysis of microelectronic and photonic structures-one-dimensional (AMPS-1D) software. The simulation results suggest that TiO2 electron transport layer provides best device performance with conversion efficiency of 25.9% compared with ZnO and CdS. The threshold value of back electrode work function for Spiro-OMeTAD, NiO, CuI and Cu2O hole transport layer are calculated to be 4.9, 4.8, 4.7 and 4.9 eV, respectively, to reach the highest conversion efficiency. The mechanisms of device physics with various electron and hole transport materials are discussed in details. The device performance deteriorates gradually as the increased density of interface defects located at ETM/absorber or absorber/HTM. This research results can provide helpful guidance for materials and metal electrode choice for perovskite solar cells.

Metamaterial Absorber Based Multifunctional Sensor Application

NASA Astrophysics Data System (ADS)

Ozer, Z.; Mamedov, A. M.; Ozbay, E.

2017-02-01

In this study metamaterial based (MA) absorber sensor, integrated with an X-band waveguide, is numerically and experimentally suggested for important application including pressure, density sensing and marble type detecting applications based on rectangular split ring resonator, sensor layer and absorber layer that measures of changing in the dielectric constant and/or the thickness of a sensor layer. Changing of physical, chemical or biological parameters in the sensor layer can be detected by measuring the resonant frequency shifting of metamaterial absorber based sensor. Suggested MA based absorber sensor can be used for medical, biological, agricultural and chemical detecting applications in microwave frequency band. We compare the simulation and experimentally obtained results from the fabricated sample which are good agreement. Simulation results show that the proposed structure can detect the changing of the refractive indexes of different materials via special resonance frequencies, thus it could be said that the MA-based sensors have high sensitivity. Additionally due to the simple and tiny structures it could be adapted to other electronic devices in different sizes.

Multi-layer plastic scintillation detector for intermediate- and high-energy neutrons with n- γ discrimination capability

NASA Astrophysics Data System (ADS)

Yu, L.; Terashima, S.; Ong, H. J.; Chan, P. Y.; Tanihata, I.; Iwamoto, C.; Tran, D. T.; Tamii, A.; Aoi, N.; Fujioka, H.; Gey, G.; Sakaguchi, H.; Sakaue, A.; Sun, B. H.; Tang, T. L.; Wang, T. F.; Watanabe, Y. N.; Zhang, G. X.

2017-09-01

A new type of neutron detector, named Stack Structure Solid organic Scintillator (S4), consisting of multi-layer plastic scintillators with capability to suppress low-energy γ rays under high-counting rate has been constructed and tested. To achieve n- γ discrimination, we exploit the difference in the ranges of the secondary charged particles produced by the interactions of neutrons and γ rays in the scintillator material. The thickness of a plastic scintillator layer was determined based on the results of Monte Carlo simulations using the Geant4 toolkit. With layer thicknesses of 5 mm, we have achieved a good separation between neutrons and γ rays at 5 MeVee threshold setting. We have also determined the detection efficiencies using monoenergetic neutrons at two energies produced by the d + d → n+3He reaction. The results agree well with the Geant4 simulations implementing the Li e ̀ge Intranuclear Cascade hadronic model (INCL++) and the high-precision model of low-energy neutron interactions (NeutronHP).

Near infrared laser penetration and absorption in human skin

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Murphy, Thomas E.; Berberoglu, Halil

2014-02-01

For understanding the mechanisms of low level laser/light therapy (LLLT), accurate knowledge of light interaction with tissue is necessary. In this paper, we present a three dimensional, multi-layer Monte Carlo simulation tool for studying light penetration and absorption in human skin. The skin is modeled as a three-layer participating medium, namely epidermis, dermis, and subcutaneous, where its geometrical and optical properties are obtained from the literature. Both refraction and reflection are taken into account at the boundaries according to Snell's law and Fresnel relations. A forward Monte Carlo method was implemented and validated for accurately simulating light penetration and absorption in absorbing and anisotropically scattering media. Local profiles of light penetration and volumetric absorption densities were simulated for uniform as well as Gaussian profile beams with different spreads at 155 mW average power over the spectral range from 1000 nm to 1900 nm. The results show the effects of beam profiles and wavelength on the local fluence within each skin layer. Particularly, the results identify different wavelength bands for targeted deposition of power in different skin layers. Finally, we show that light penetration scales well with the transport optical thickness of skin. We expect that this tool along with the results presented will aid researchers resolve issues related to dose and targeted delivery of energy in tissues for LLLT.

Infant phantom head circuit board for EEG head phantom and pediatric brain simulation

NASA Astrophysics Data System (ADS)

Almohsen, Safa

The infant's skull differs from an adult skull because of the characteristic features of the human skull during early development. The fontanels and the conductivity of the infant skull influence surface currents, generated by neurons, which underlie electroencephalography (EEG) signals. An electric circuit was built to power a set of simulated neural sources for an infant brain activity simulator. Also, in the simulator, three phantom tissues were created using saline solution plus Agarose gel to mimic the conductivity of each layer in the head [scalp, skull brain]. The conductivity measurement was accomplished by two different techniques: using the four points' measurement technique, and a conductivity meter. Test results showed that the optimized phantom tissues had appropriate conductivities to simulate each tissue layer to fabricate a physical head phantom. In this case, the best results should be achieved by testing the electrical neural circuit with the sample physical model to generate simulated EEG data and use that to solve both the forward and the inverse problems for the purpose of localizing the neural sources in the head phantom.

A severe artifact in simulation of liquid water using a long cut-off length: Appearance of a strange layer structure

NASA Astrophysics Data System (ADS)

Yonetani, Yoshiteru

2005-04-01

We report that a severe artifact appeared in molecular dynamics simulation of bulk water using the long cut-off length 18 Å. Our result shows that increasing the cut-off length does not always improve the simulation result. Moreover, the use of the long cut-off length can lead to a spurious result. It is suggested that the simulation of solvated biomolecules using such a long cut-off length, which has been often performed, may contain an unexpected artifact.

Model Simulation of Ionosphere Electron Density with Dynamic Transportation and Mechanism of Sporadic E Layers in Lower Part of Ionosphere

NASA Astrophysics Data System (ADS)

Lin, Y. C.; Chu, Y. H.

2015-12-01

There are many physical theories responsible for explanation the generation mechanism of sporadic E (Es) plasma irregularities. In middle latitude, it's generally believed that sporadic E layers occur in vertical ion convergent areas driven by horizontal neutral wind shear. The sporadic E layers appear characteristic of abundant metallic ion species (i.e., Fe+, Mg+, Na+), that lifetime are longer than molecular ions by a factor of several orders, have been demonstrated by rocket-borne mass spectrometric measurements. On the basic of the GPS Radio Occultation (RO), using the scintillations of the GPS signal-to-noise ratio and intense fluctuation of excess phase, the global and seasonal sporadic E layers occurrence rates could be retrieved. In our previous study we found there is averaged 10 kilometers shift in height between the COSMIC-retrieved sporadic E layer occurrence rate and the sporadic E occurrence rate modeled from considering the convergence/divergence of Fe+ vertical flux. There are many reasons that maybe result in the altitude differences, e.g., tidal wind with phase shift, electric field driven force, iron species distributions. In this research, the quantitative analyses for electric field drives Es layers translations in vertical direction are presented. The tidal wind driven sporadic E layers have been simulating by modeling several nonmetallic ions (O+(4S), O+(2D), O+(2p), N+, N2+, O2+, NO+) and metallic ions (Fe+, FeO2+, FeN2+, FeO+) with wind shear transportation. The simulation result shows the Fe+ particles accumulate at zonal wind shear convergent regions and form the thin sporadic E layers. With the electric field taking into account, the whole shape of sporadic E layers vertical shift 2~5 km that depending on what magnitude and direction of electric field is added.

A perspective on coherent structures and conceptual models for turbulent boundary layer physics

NASA Technical Reports Server (NTRS)

Robinson, Stephen K.

1990-01-01

Direct numerical simulations of turbulent boundary layers have been analyzed to develop a unified conceptual model for the kinematics of coherent motions in low Reynolds number canonical turbulent boundary layers. All classes of coherent motions are considered in the model, including low-speed streaks, ejections and sweeps, vortical structures, near-wall and outer-region shear layers, sublayer pockets, and large-scale outer-region eddies. The model reflects the conclusions from the study of the simulated boundary layer that vortical structures are directly associated with the production of turbulent shear stresses, entrainment, dissipation of turbulence kinetic energy, and the fluctuating pressure field. These results, when viewed from the perspective of the large body of published work on the subject of coherent motions, confirm that vortical structures may be considered the central dynamic element in the maintenance of turbulence in the canonical boundary layer. Vortical structures serve as a framework on which to construct a unified picture of boundary layer structure, providing a means to relate the many known structural elements in a consistent way.

Multicore runup simulation by under water avalanche using two-layer 1D shallow water equations

NASA Astrophysics Data System (ADS)

Bagustara, B. A. R. H.; Simanjuntak, C. A.; Gunawan, P. H.

2018-03-01

The increasing of layers in shallow water equations (SWE) produces more dynamic model than the one-layer SWE model. The two-layer 1D SWE model has different density for each layer. This model becomes more dynamic and natural, for instance in the ocean, the density of water will decreasing from the bottom to the surface. Here, the source-centered hydro-static reconstruction (SCHR) numerical scheme will be used to approximate the solution of two-layer 1D SWE model, since this scheme is proved to satisfy the mathematical properties for shallow water equation. Additionally in this paper, the algorithm of SCHR is adapted to the multicore architecture. The simulation of runup by under water avalanche is elaborated here. The results show that the runup is depend on the ratio of density of each layers. Moreover by using grid sizes Nx = 8000, the speedup and efficiency by 2 threads are obtained 1.74779 times and 87.3896 % respectively. Nevertheless, by 4 threads the speedup and efficiency are obtained 2.93132 times and 73.2830 % respectively by similar number of grid sizes Nx = 8000.

The effects of convergence ratio on the implosion behavior of DT layered inertial confinement fusion capsules

DOE PAGES

Haines, Brian M.; Yi, S. A.; Olson, R. E.; ...

2017-07-10

The wetted foam capsule design for inertial confinement fusion capsules, which includes a foam layer wetted with deuterium-tritium liquid, enables layered capsule implosions with a wide range of hot-spot convergence ratios (CR) on the National Ignition Facility. In this paper, we present a full-scale wetted foam capsule design that demonstrates high gain in one-dimensional simulations. In these simulations, increasing the convergence ratio leads to an improved capsule yield due to higher hot-spot temperatures and increased fuel areal density. High-resolution two-dimensional simulations of this design are presented with detailed and well resolved models for the capsule fill tube, support tent, surfacemore » roughness, and predicted asymmetries in the x-ray drive. Our modeling of these asymmetries is validated by comparisons with available experimental data. In 2D simulations of the full-scale wetted foam capsule design, jetting caused by the fill tube is prevented by the expansion of the tungsten-doped shell layer due to preheat. While the impacts of surface roughness and predicted asymmetries in the x-ray drive are enhanced by convergence effects, likely underpredicted in 2D at high CR, simulations predict that the capsule is robust to these features. Nevertheless, the design is highly susceptible to the effects of the capsule support tent, which negates all of the one-dimensional benefits of increasing the convergence ratio. Indeed, when the support tent is included in simulations, the yield decreases as the convergence ratio is increased for CR > 20. Finally and nevertheless, the results suggest that the full-scale wetted foam design has the potential to outperform ice layer capsules given currently achievable levels of asymmetries when fielded at low convergence ratios (CR < 20).« less

The effects of convergence ratio on the implosion behavior of DT layered inertial confinement fusion capsules

NASA Astrophysics Data System (ADS)

Haines, Brian M.; Yi, S. A.; Olson, R. E.; Khan, S. F.; Kyrala, G. A.; Zylstra, A. B.; Bradley, P. A.; Peterson, R. R.; Kline, J. L.; Leeper, R. J.; Shah, R. C.

2017-07-01

The wetted foam capsule design for inertial confinement fusion capsules, which includes a foam layer wetted with deuterium-tritium liquid, enables layered capsule implosions with a wide range of hot-spot convergence ratios (CR) on the National Ignition Facility. We present a full-scale wetted foam capsule design that demonstrates high gain in one-dimensional simulations. In these simulations, increasing the convergence ratio leads to an improved capsule yield due to higher hot-spot temperatures and increased fuel areal density. High-resolution two-dimensional simulations of this design are presented with detailed and well resolved models for the capsule fill tube, support tent, surface roughness, and predicted asymmetries in the x-ray drive. Our modeling of these asymmetries is validated by comparisons with available experimental data. In 2D simulations of the full-scale wetted foam capsule design, jetting caused by the fill tube is prevented by the expansion of the tungsten-doped shell layer due to preheat. While the impacts of surface roughness and predicted asymmetries in the x-ray drive are enhanced by convergence effects, likely underpredicted in 2D at high CR, simulations predict that the capsule is robust to these features. Nevertheless, the design is highly susceptible to the effects of the capsule support tent, which negates all of the one-dimensional benefits of increasing the convergence ratio. Indeed, when the support tent is included in simulations, the yield decreases as the convergence ratio is increased for CR > 20. Nevertheless, the results suggest that the full-scale wetted foam design has the potential to outperform ice layer capsules given currently achievable levels of asymmetries when fielded at low convergence ratios (CR < 20).

Simulation of Nonlinear Instabilities in an Attachment-Line Boundary Layer

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.

1996-01-01

The linear and the nonlinear stability of disturbances that propagate along the attachment line of a three-dimensional boundary layer is considered. The spatially evolving disturbances in the boundary layer are computed by direct numerical simulation (DNS) of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced either by forcing at the in ow or by applying suction and blowing at the wall. Quasi-parallel linear stability theory and a nonparallel theory yield notably different stability characteristics for disturbances near the critical Reynolds number; the DNS results con rm the latter theory. Previously, a weakly nonlinear theory and computations revealed a high wave-number region of subcritical disturbance growth. More recent computations have failed to achieve this subcritical growth. The present computational results indicate the presence of subcritically growing disturbances; the results support the weakly nonlinear theory. Furthermore, an explanation is provided for the previous theoretical and computational discrepancy. In addition, the present results demonstrate that steady suction can be used to stabilize disturbances that otherwise grow subcritically along the attachment line.

3D Dynamics of the Near-Surface Layer of the Ocean in the Presence of Freshwater Influx

NASA Astrophysics Data System (ADS)

Dean, C.; Soloviev, A.

2015-12-01

Freshwater inflow due to convective rains or river runoff produces lenses of freshened water in the near surface layer of the ocean. These lenses are localized in space and typically involve both salinity and temperature anomalies. Due to significant density anomalies, strong pressure gradients develop, which result in lateral spreading of freshwater lenses in a form resembling gravity currents. Gravity currents inherently involve three-dimensional dynamics. The gravity current head can include the Kelvin-Helmholtz billows with vertical density inversions. In this work, we have conducted a series of numerical experiments using computational fluid dynamics tools. These numerical simulations were designed to elucidate the relationship between vertical mixing and horizontal advection of salinity under various environmental conditions and potential impact on the pollution transport including oil spills. The near-surface data from the field experiments in the Gulf of Mexico during the SCOPE experiment were available for validation of numerical simulations. In particular, we observed a freshwater layer within a few-meter depth range and, in some cases, a density inversion at the edge of the freshwater lens, which is consistent with the results of numerical simulations. In conclusion, we discuss applicability of these results to the interpretation of Aquarius and SMOS sea surface salinity satellite measurements. The results of this study indicate that 3D dynamics of the near-surface layer of the ocean are essential in the presence of freshwater inflow.

Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte.

PubMed

Lowe, B M; Maekawa, Y; Shibuta, Y; Sakata, T; Skylaris, C-K; Green, N G

2017-01-25

Electronic devices are becoming increasingly used in chemical- and bio-sensing applications and therefore understanding the silica-electrolyte interface at the atomic scale is becoming increasingly important. For example, field-effect biosensors (BioFETs) operate by measuring perturbations in the electric field produced by the electrical double layer due to biomolecules binding on the surface. In this paper, explicit-solvent atomistic calculations of this electric field are presented and the structure and dynamics of the interface are investigated in different ionic strengths using molecular dynamics simulations. Novel results from simulation of the addition of DNA molecules and divalent ions are also presented, the latter of particular importance in both physiological solutions and biosensing experiments. The simulations demonstrated evidence of charge inversion, which is known to occur experimentally for divalent electrolyte systems. A strong interaction between ions and DNA phosphate groups was demonstrated in mixed electrolyte solutions, which are relevant to experimental observations of device sensitivity in the literature. The bound DNA resulted in local changes to the electric field at the surface; however, the spatial- and temporal-mean electric field showed no significant change. This result is explained by strong screening resulting from a combination of strongly polarised water and a compact layer of counterions around the DNA and silica surface. This work suggests that the saturation of the Stern layer is an important factor in determining BioFET response to increased salt concentration and provides novel insight into the interplay between ions and the EDL.

Investigating Deformation and Failure Mechanisms in Nanoscale Multilayer Metallic Composites

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

Zbib, Hussein M.; Bahr, David F.

2014-10-22

Over the history of materials science there are many examples of materials discoveries that have made superlative materials; the strongest, lightest, or toughest material is almost always a goal when we invent new materials. However, often these have been a result of enormous trial and error approaches. A new methodology, one in which researchers design, from the atoms up, new ultra-strong materials for use in energy applications, is taking hold within the science and engineering community. This project focused on one particular new classification of materials; nanolaminate metallic composites. These materials, where two metallic materials are intimately bonded and layeredmore » over and over to form sheets or coatings, have been shown over the past decade to reach strengths over 10 times that of their constituents. However, they are not yet widely used in part because while extremely strong (they don’t permanently bend), they are also not particularly tough (they break relatively easily when notched). Our program took a coupled approach to investigating new materials systems within the laminate field. We used computational materials science to explore ways to institute new deformation mechanisms that occurred when a tri-layer, rather than the more common bi-layer system was created. Our predictions suggested that copper-nickel or copper-niobium composites (two very common bi-layer systems) with layer thicknesses on the order of 20 nm and then layered 100’s of times, would be less tough than a copper-nickel-niobium metallic composite of similar thicknesses. In particular, a particular mode of permanent deformation, cross-slip, could be activated only in the tri-layer system; the crystal structure of the other bi-layers would prohibit this particular mode of deformation. We then experimentally validated this predication using a wide range of tools. We utilized a DOE user facility, the Center for Integrated Nanotechnology (CINT), to fabricate, for the first time, these tri-layer composites. CINT formed nanolaminate composites were tested in tension, with bulge testing, using nanoindentation, and using micro-compression testing to demonstrate that the tri-layer films were indeed tougher and hardened more during deformation (they got stronger as we deformed them) than equivalent bi-layers. The seven graduate students, 4 post-docs and research faculty, and the two faculty co-PI’s were able to create a collaborated computational prediction and experimental validation team to demonstrate the benefits of this class of materials to the community. The computational work crossed from atomistic to bulk simulations, and the experiments coupled form nm-scale to the mm scale; closely matching the simulations. The simulations provided viable mechanisms that explained the observed results, and new experimental results were used to push the boundaries of the simulation tools. Over the life of the 7 years of this program we proved that tri-layer nanolaminate metallic composite systems exceeded the mechanical performance of bi-layer systems if the right materials were chosen, and that the mechanism responsible for this was tied to the cross slip of dislocations. With 30 journal publications resulting from this work we have broadly disseminated this family of results to the scientific community.« less

Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers.

PubMed

Cox, Stephen J; Kathmann, Shawn M; Slater, Ben; Michaelides, Angelos

2015-05-14

Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice nucleation exists, which coincides with that found previously for a face centered cubic (111) surface. We further investigate the role that the layering of interfacial water plays in heterogeneous ice nucleation and demonstrate that the extent of layering is not a good indicator of ice nucleating ability for all surfaces. Our results suggest that to be an efficient ice nucleating agent, a surface should not bind water too strongly if it is able to accommodate high coverages of water.

A comparison of coupled freshwater-saltwater sharp-interface and convective-dispersive models of saltwater intrusion in a layered aquifer system

USGS Publications Warehouse

Hill, Mary C.

1988-01-01

Simulated results of the coupled freshwater-saltwater sharp interface and convective-dispersive numerical models are compared by using steady-state cross-sectional simulations. The results indicate that in some aquifers the calculated sharp interface is located further landward than would be expected.

Effect of TiO2 addition on surface microstructure and bioactivity of fluorapatite coatings deposited using Nd:YAG laser.

PubMed

Chien, Chi-Sheng; Ko, Yu-Sheng; Kuo, Tsung-Yuan; Liao, Tze-Yuan; Lee, Tzer-Min; Hong, Ting-Fu

2014-04-01

To study the effect of titania (TiO2) addition on the surface microstructure and bioactivity of fluorapatite coatings, fluorapatite was mixed with TiO2 in 1:0.5 (FA + 0.5TiO2), 1:0.8 (FA + 0.8TiO2), and 1:1 (FA + TiO2) ratios (wt%) and clad on Ti-6Al-4V substrates using an Nd:YAG laser system. The experimental results show that the penetration depth of the weld decreases with increasing TiO2 content. Moreover, the subgrain structure of the coating layer changes from a fine cellular-like structure to a cellular-dendrite-like structure as the amount of TiO2 increases. Consequently, as the proportion of TiO2 decreases (increase in fluorapatite content), the Ca/P ratio of the coating layer also decreases. The immersion of specimens into simulated body fluid resulted in the formation of individual apatite. With a lower Ca/P ratio before immersion, the growth of the apatite was faster and then the coating layer provided a better bioactivity. X-ray diffraction analysis results show that prior to simulated body fluid immersion, the coating layer in all three specimens was composed mainly of fluorapatite, CaTiO3, and Al2O3 phases. Following simulated body fluid immersion, a peak corresponding to hydroxycarbonated apatite appeared after 2 days in the FA + 0.5TiO2 and FA + 0.8TiO2 specimens and after 7 days in the FA + TiO2 specimen. Overall, the results show that although the bioactivity of the coating layer tended to decrease with increasing TiO2 content, in accordance with the above-mentioned ratios, the bioactivity of all three specimens remained generally good.

Results of the GABLS3 diurnal-cycle benchmark for wind energy applications

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

Rodrigo, J. Sanz; Allaerts, D.; Avila, M.

We present results of the GABLS3 model intercomparison benchmark revisited for wind energy applications. The case consists of a diurnal cycle, measured at the 200-m tall Cabauw tower in the Netherlands, including a nocturnal low-level jet. The benchmark includes a sensitivity analysis of WRF simulations using two input meteorological databases and five planetary boundary-layer schemes. A reference set of mesoscale tendencies is used to drive microscale simulations using RANS k-ϵ and LES turbulence models. The validation is based on rotor-based quantities of interest. Cycle-integrated mean absolute errors are used to quantify model performance. The results of the benchmark are usedmore » to discuss input uncertainties from mesoscale modelling, different meso-micro coupling strategies (online vs offline) and consistency between RANS and LES codes when dealing with boundary-layer mean flow quantities. Altogether, all the microscale simulations produce a consistent coupling with mesoscale forcings.« less

Results of the GABLS3 diurnal-cycle benchmark for wind energy applications

DOE PAGES

Rodrigo, J. Sanz; Allaerts, D.; Avila, M.; ...

2017-06-13

We present results of the GABLS3 model intercomparison benchmark revisited for wind energy applications. The case consists of a diurnal cycle, measured at the 200-m tall Cabauw tower in the Netherlands, including a nocturnal low-level jet. The benchmark includes a sensitivity analysis of WRF simulations using two input meteorological databases and five planetary boundary-layer schemes. A reference set of mesoscale tendencies is used to drive microscale simulations using RANS k-ϵ and LES turbulence models. The validation is based on rotor-based quantities of interest. Cycle-integrated mean absolute errors are used to quantify model performance. The results of the benchmark are usedmore » to discuss input uncertainties from mesoscale modelling, different meso-micro coupling strategies (online vs offline) and consistency between RANS and LES codes when dealing with boundary-layer mean flow quantities. Altogether, all the microscale simulations produce a consistent coupling with mesoscale forcings.« less

A Model of In vitro Plasticity at the Parallel Fiber—Molecular Layer Interneuron Synapses

PubMed Central

Lennon, William; Yamazaki, Tadashi; Hecht-Nielsen, Robert

2015-01-01

Theoretical and computational models of the cerebellum typically focus on the role of parallel fiber (PF)—Purkinje cell (PKJ) synapses for learned behavior, but few emphasize the role of the molecular layer interneurons (MLIs)—the stellate and basket cells. A number of recent experimental results suggest the role of MLIs is more important than previous models put forth. We investigate learning at PF—MLI synapses and propose a mathematical model to describe plasticity at this synapse. We perform computer simulations with this form of learning using a spiking neuron model of the MLI and show that it reproduces six in vitro experimental results in addition to simulating four novel protocols. Further, we show how this plasticity model can predict the results of other experimental protocols that are not simulated. Finally, we hypothesize what the biological mechanisms are for changes in synaptic efficacy that embody the phenomenological model proposed here. PMID:26733856

Analysis Of Direct Numerical Simulation Results Of Adverse Pressure Gradient Boundary Layer Through Anisotropy Invariant Mapping And Comparison With The Rans Simulations

NASA Astrophysics Data System (ADS)

Gungor, Ayse Gul; Nural, Ozan Ekin; Ertunc, Ozgur

2017-11-01

Purpose of this study is to analyze the direct numerical simulation data of a turbulent boundary layer subjected to strong adverse pressure gradient through anisotropy invariant mapping. RANS simulation using the ``Elliptic Blending Model'' of Manceau and Hanjolic (2002) is also conducted for the same flow case with commercial software Star-CCM+ and comparison of the results with DNS data is done. RANS simulation captures the general trends in the velocity field but, significant deviations are found when skin friction coefficients are compared. Anisotropy invariant map of Lumley and Newman (1977) and barycentric map of Banerjee et al. (2007) are used for the analysis. Invariant mapping of the DNS data has yielded that at locations away from the wall, flow is close to one component turbulence state. In the vicinity of the wall, turbulence is at two component limit which is one border of the barycentric map and as the flow evolves along the streamwise direction, it approaches to two component turbulence state. Additionally, at the locations away from the wall, turbulence approaches to two component limit. Furthermore, analysis of the invariants of the RANS simulations shows dissimilar results. In RANS simulations invariants do not approach to any of the limit states unlike the DNS.

Langasite surface acoustic wave gas sensors: modeling and verification

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

Peng Zheng,; Greve, D. W.; Oppenheim, I. J.

2013-03-01

We report finite element simulations of the effect of conductive sensing layers on the surface wave velocity of langasite substrates. The simulations include both the mechanical and electrical influences of the conducting sensing layer. We show that three-dimensional simulations are necessary because of the out-of-plane displacements of the commonly used (0, 138.5, 26.7) Euler angle. Measurements of the transducer input admittance in reflective delay-line devices yield a value for the electromechanical coupling coefficient that is in good agreement with the three-dimensional simulations on bare langasite substrate. The input admittance measurements also show evidence of excitation of an additional wave modemore » and excess loss due to the finger resistance. The results of these simulations and measurements will be useful in the design of surface acoustic wave gas sensors.« less

Numerical modelling of CIGS/CdS solar cell

NASA Astrophysics Data System (ADS)

Devi, Nisha; Aziz, Anver; Datta, Shouvik

2018-05-01

In this work, we design and analyze the Cu(In,Ga)Se2 (CIGS) solar cell using simulation software "Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D)". The conventional CIGS solar cell uses various layers, like intrinsic ZnO/Aluminium doped ZnO as transparent oxide, antireflection layer MgF2, and electron back reflection (EBR) layer at CIGS/Mo interface for good power conversion efficiency. We replace this conventional model by a simple model which is easy to fabricate and also reduces the cost of this cell because of use of lesser materials. The new designed model of CIGS solar cell is ITO/CIGS/OVC/CdS/Metal contact, where OVC is ordered vacancy compound. From this simple structure, even at very low illumination we are getting good results. We simulate this CIGS solar cell model by varying various physical parameters of CIGS like thickness, carrier density, band gap and temperature.

SpineCreator: a Graphical User Interface for the Creation of Layered Neural Models.

PubMed

Cope, A J; Richmond, P; James, S S; Gurney, K; Allerton, D J

2017-01-01

There is a growing requirement in computational neuroscience for tools that permit collaborative model building, model sharing, combining existing models into a larger system (multi-scale model integration), and are able to simulate models using a variety of simulation engines and hardware platforms. Layered XML model specification formats solve many of these problems, however they are difficult to write and visualise without tools. Here we describe a new graphical software tool, SpineCreator, which facilitates the creation and visualisation of layered models of point spiking neurons or rate coded neurons without requiring the need for programming. We demonstrate the tool through the reproduction and visualisation of published models and show simulation results using code generation interfaced directly into SpineCreator. As a unique application for the graphical creation of neural networks, SpineCreator represents an important step forward for neuronal modelling.

Direct Numerical Simulation of a Plane Transitional Wall Jet

NASA Astrophysics Data System (ADS)

Ramesh, O.; Varghese, Joel

2017-11-01

A transitional plane wall jet is studied using direct numerical simulation. The presence of an inflectional point leads to the outer layer rolling up into vortices that interacts with the inner region resulting in a double array of counter rotating vortices before breakdown into turbulence. Past studies have focused on forced wall jet which results in shorter transition region and prominent vortical structures. In the present work, natural transition will be discussed by analysing the coherent structures and scaled frequency spectra. Clear hairpin like structures leaning downstream in the inner region(as in a boundary layer) and leaning upstream in the outerstream (as in a jet) are evident.

Simulating Carbon cycle and phenology in complex forests using a multi-layer process based ecosystem model; evaluation and use of 3D-CMCC-Forest Ecosystem Model in a deciduous and an evergreen neighboring forests, within the area of Brasschaat (Be)

NASA Astrophysics Data System (ADS)

Marconi, S.; Collalti, A.; Santini, M.; Valentini, R.

2013-12-01

3D-CMCC-Forest Ecosystem Model is a process based model formerly developed for complex forest ecosystems to estimate growth, water and carbon cycles, phenology and competition processes on a daily/monthly time scale. The Model integrates some characteristics of the functional-structural tree models with the robustness of the light use efficiency approach. It treats different heights, ages and species as discrete classes, in competition for light (vertical structure) and space (horizontal structure). The present work evaluates the results of the recently developed daily version of 3D-CMCC-FEM for two neighboring different even aged and mono specific study cases. The former is a heterogeneous Pedunculate oak forest (Quercus robur L. ), the latter a more homogeneous Scot pine forest (Pinus sylvestris L.). The multi-layer approach has been evaluated against a series of simplified versions to determine whether the improved model complexity in canopy structure definition increases its predictive ability. Results show that a more complex structure (three height layers) should be preferable to simulate heterogeneous scenarios (Pedunculate oak stand), where heights distribution within the canopy justify the distinction in dominant, dominated and sub-dominated layers. On the contrary, it seems that using a multi-layer approach for more homogeneous stands (Scot pine stand) may be disadvantageous. Forcing the structure of an homogeneous stand to a multi-layer approach may in fact increase sources of uncertainty. On the other hand forcing complex forests to a mono layer simplified model, may cause an increase in mortality and a reduction in average DBH and Height. Compared with measured CO2 flux data, model results show good ability in estimating carbon sequestration trends, on both a monthly/seasonal and daily time scales. Moreover the model simulates quite well leaf phenology and the combined effects of the two different forest stands on CO2 fluxes.

A Spiking Neural Simulator Integrating Event-Driven and Time-Driven Computation Schemes Using Parallel CPU-GPU Co-Processing: A Case Study.

PubMed

Naveros, Francisco; Luque, Niceto R; Garrido, Jesús A; Carrillo, Richard R; Anguita, Mancia; Ros, Eduardo

2015-07-01

Time-driven simulation methods in traditional CPU architectures perform well and precisely when simulating small-scale spiking neural networks. Nevertheless, they still have drawbacks when simulating large-scale systems. Conversely, event-driven simulation methods in CPUs and time-driven simulation methods in graphic processing units (GPUs) can outperform CPU time-driven methods under certain conditions. With this performance improvement in mind, we have developed an event-and-time-driven spiking neural network simulator suitable for a hybrid CPU-GPU platform. Our neural simulator is able to efficiently simulate bio-inspired spiking neural networks consisting of different neural models, which can be distributed heterogeneously in both small layers and large layers or subsystems. For the sake of efficiency, the low-activity parts of the neural network can be simulated in CPU using event-driven methods while the high-activity subsystems can be simulated in either CPU (a few neurons) or GPU (thousands or millions of neurons) using time-driven methods. In this brief, we have undertaken a comparative study of these different simulation methods. For benchmarking the different simulation methods and platforms, we have used a cerebellar-inspired neural-network model consisting of a very dense granular layer and a Purkinje layer with a smaller number of cells (according to biological ratios). Thus, this cerebellar-like network includes a dense diverging neural layer (increasing the dimensionality of its internal representation and sparse coding) and a converging neural layer (integration) similar to many other biologically inspired and also artificial neural networks.

Proxy-assisted multicasting of video streams over mobile wireless networks

NASA Astrophysics Data System (ADS)

Nguyen, Maggie; Pezeshkmehr, Layla; Moh, Melody

2005-03-01

This work addresses the challenge of providing seamless multimedia services to mobile users by proposing a proxy-assisted multicast architecture for delivery of video streams. We propose a hybrid system of streaming proxies, interconnected by an application-layer multicast tree, where each proxy acts as a cluster head to stream out content to its stationary and mobile users. The architecture is based on our previously proposed Enhanced-NICE protocol, which uses an application-layer multicast tree to deliver layered video streams to multiple heterogeneous receivers. We targeted the study on placements of streaming proxies to enable efficient delivery of live and on-demand video, supporting both stationary and mobile users. The simulation results are evaluated and compared with two other baseline scenarios: one with a centralized proxy system serving the entire population and one with mini-proxies each to serve its local users. The simulations are implemented using the J-SIM simulator. The results show that even though proxies in the hybrid scenario experienced a slightly longer delay, they had the lowest drop rate of video content. This finding illustrates the significance of task sharing in multiple proxies. The resulted load balancing among proxies has provided a better video quality delivered to a larger audience.

ForCent Model Development and Testing using the Enriched Background Isotope Study (EBIS) Experiment

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

Parton, William; Hanson, Paul J; Swanston, Chris

The ForCent forest ecosystem model was developed by making major revisions to the DayCent model including: (1) adding a humus organic pool, (2) incorporating a detailed root growth model, and (3) including plant phenological growth patterns. Observed plant production and soil respiration data from 1993 to 2000 were used to demonstrate that the ForCent model could accurately simulate ecosystem carbon dynamics for the Oak Ridge National Laboratory deciduous forest. A comparison of ForCent versus observed soil pool 14C signature (? 14C) data from the Enriched Background Isotope Study 14C experiment (1999-2006) shows that the model correctly simulates the temporal dynamicsmore » of the 14C label as it moved from the surface litter and roots into the mineral soil organic matter pools. ForCent model validation was performed by comparing the observed Enriched Background Isotope Study experimental data with simulated live and dead root biomass ? 14C data, and with soil respiration ? 14C (mineral soil, humus layer, leaf litter layer, and total soil respiration) data. Results show that the model correctly simulates the impact of the Enriched Background Isotope Study 14C experimental treatments on soil respiration ? 14C values for the different soil organic matter pools. Model results suggest that a two-pool root growth model correctly represents root carbon dynamics and inputs to the soil. The model fitting process and sensitivity analysis exposed uncertainty in our estimates of the fraction of mineral soil in the slow and passive pools, dissolved organic carbon flux out of the litter layer into the mineral soil, and mixing of the humus layer into the mineral soil layer.« less

Reprint of: A numerical investigation of fine sediment resuspension in the wave boundary layer-Uncertainties in particle inertia and hindered settling

NASA Astrophysics Data System (ADS)

Cheng, Zhen; Yu, Xiao; Hsu, Tian-Jian; Balachandar, S.

2016-05-01

The wave bottom boundary layer is a major conduit delivering fine terrestrial sediments to continental margins. Hence, studying fine sediment resuspensions in the wave boundary layer is crucial to the understanding of various components of the earth system, such as carbon cycles. By assuming the settling velocity to be a constant in each simulation, previous turbulence-resolving numerical simulations reveal the existence of three transport modes in the wave boundary layer associated with sediment availabilities. As the sediment availability and hence the sediment-induced stable stratification increases, a sequence of transport modes, namely, (I) well-mixed transport, (II) formulation of lutocline resembling a two-layer system, and (III) completely laminarized transport are observed. In general, the settling velocity is a flow variable due to hindered settling and particle inertia effects. Present numerical simulations including the particle inertia suggest that for a typical wave condition in continental shelves, the effect of particle inertia is negligible. Through additional numerical experiments, we also confirm that the particle inertia tends (up to the Stokes number St = 0.2) to attenuate flow turbulence. On the other hand, for flocs with lower gelling concentrations, the hindered settling can play a key role in sustaining a large amount of suspended sediments and results in the laminarized transport (III). For the simulation with a very significant hindered settling effect due to a low gelling concentration, results also indicate the occurrence of gelling ignition, a state in which the erosion rate is always higher than the deposition rate. A sufficient condition for the occurrence of gelling ignition is hypothesized for a range of wave intensities as a function of sediment/floc properties and erodibility parameters.

Documentation of a computer program to simulate transient leakage from confining units using the modular finite-difference, ground-water flow model

USGS Publications Warehouse

Leake, S.A.; Leahy, P.P.; Navoy, A.S.

1994-01-01

Transient leakage into or out of a compressible fine-grained confining unit results from ground- water storage changes within the unit. The computer program described in this report provides a new method of simulating transient leakage using the U.S. Geological Survey modular finite- difference ground-water flow model (MODFLOW). The new program is referred to as the Transient- Leakage Package. The Transient-Leakage Package solves integrodifferential equations that describe flow across the upper and lower boundaries of confining units. For each confining unit, vertical hydraulic conductivity, thickness, and specific storage are specified in input arrays. These properties can vary from cell to cell and the confining unit need not be present at all locations in the grid; however, the confining units must be bounded above and below by model layers in which head is calculated or specified. The package was used in an example problem to simulate drawdown around a pumping well in a system with two aquifers separated by a confining unit. For drawdown values in excess of 1 centimeter, the solution using the new package closely matched an exact analytical solution. The problem also was simulated without the new package by using a separate model layer to represent the confining unit. That simulation was refined by using two model layers to represent the confining unit. The simulation using the Transient-Leakage Package was faster and more accurate than either of the simulations using model layers to represent the confining unit.

Formation of the Dayside Magnetopause and Its Boundary Layers Under the Radial IMF

NASA Astrophysics Data System (ADS)

Pi, Gilbert; Němeček, Zdeněk.; Å afránková, Jana; Grygorov, Kostiantyn; Shue, Jih-Hong

2018-05-01

The global structure of magnetopause boundary layers under the radial interplanetary magnetic field (IMF) conditions is studied by a comparison of experimental and simulation results. In magnetohydrodynamic simulations, the hemispherical asymmetry of the reconnection locations was found. The draped field adjacent to the magnetopause points northward in the Northern Hemisphere, but it is oriented southward in the Southern Hemisphere at the beginning of the simulation for negative IMF Bx. The magnetopause region affected by the positive IMF Bz component enlarges over time, and the density profile exhibit a north-south asymmetry near the magnetopause. The experimental part of the study uses the Time History of Events and Macroscale Interactions during Substorm data. We analyze profiles of the plasma parameters and magnetic field as well as the ion pitch-angle distributions. The nonsimultaneous appearance of parallel and antiparallel aligned flows suggests two spatially separated sources of these flows. We have identified (1) the inner part of the low-latitude boundary layer (LLBL) on closed magnetic field lines; (2) the outer LLBL on open field lines; (3) the inner part of the magnetosheath boundary layer (MSBL) formed by dayside reconnection in the Southern Hemisphere; and (4) the outer MSBL resulting from lobe reconnection in the Northern Hemisphere.

Fabrication and characterization of diamond-like carbon/Ni bimorph normally closed microcages

NASA Astrophysics Data System (ADS)

Luo, J. K.; He, J. H.; Fu, Y. Q.; Flewitt, A. J.; Spearing, S. M.; Fleck, N. A.; Milne, W. I.

2005-08-01

Normally closed microcages based on highly compressively stressed diamond-like carbon (DLC) and electroplated Ni bimorph structures have been simulated, fabricated and characterized. Finite-element and analytical models were used to simulate the device performance. It was found that the radius of curvature of the bimorph layer can be adjusted by varying the DLC film stress, the total layer thickness and the thickness ratio of the DLC to Ni layers. The angular deflection of the bimorph structures can also be adjusted by varying the finger length. The radius of curvature of the microcage was in the range of 18-50 µm, suitable for capturing and confining micro-objects with sizes of 20-100 µm. The operation of this type of device is very efficient due to the large difference in thermal expansion coefficients of the DLC and the Ni layers. Electrical tests have shown that these microcages can be opened by ~90° utilizing a power smaller than 20 mW. The operating temperatures of the devices under various pulsed currents were extracted through the change in electrical resistance of the devices. The results showed that an average temperature in the range of 400-450 °C is needed to open this type of microcage by ~90°, consistent with the results from analytical simulation and finite-element modelling.

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

Morgan, B. E.; Olson, B. J.; White, J. E.

High-fidelity large eddy simulation (LES) of a low-Atwood number (A = 0.05) Rayleigh-Taylor mixing layer is performed using the tenth-order compact difference code Miranda. An initial multimode perturbation spectrum is specified in Fourier space as a function of mesh resolution such that a database of results is obtained in which each successive level of increased grid resolution corresponds approximately to one additional doubling of the mixing layer width, or generation. The database is then analyzed to determine approximate requirements for self-similarity, and a new metric is proposed to quantify how far a given simulation is from the limit of self-similarity.more » It is determined that mixing layer growth reaches a high degree of self-similarity after approximately 4.5 generations. Statistical convergence errors and boundary effects at late time, however, make it impossible to draw similar conclusions regarding the self-similar growth of more sensitive turbulence parameters. Finally, self-similar turbulence profiles from the LES database are compared with one-dimensional simulations using the k-L-a and BHR-2 Reynolds-averaged Navier-Stokes (RANS) models. The k-L-a model, which is calibrated to reproduce a quadratic turbulence kinetic energy profile for a self-similar mixing layer, is found to be in better agreement with the LES than BHR-2 results.« less

Modeling large wind farms in conventionally neutral atmospheric boundary layers under varying initial conditions

NASA Astrophysics Data System (ADS)

Allaerts, Dries; Meyers, Johan

2014-05-01

Atmospheric boundary layers (ABL) are frequently capped by an inversion layer limiting the entrainment rate and boundary layer growth. Commonly used analytical models state that the entrainment rate is inversely proportional to the inversion strength. The height of the inversion turns out to be a second important parameter. Conventionally neutral atmospheric boundary layers (CNBL) are ABLs with zero surface heat flux developing against a stratified free atmosphere. In this regime the inversion-filling process is merely driven by the downward heat flux at the inversion base. As a result, CNBLs are strongly dependent on the heating history of the boundary layer and strong inversions will fail to erode during the course of the day. In case of large wind farms, the power output of the farm inside a CNBL will depend on the height and strength of the inversion above the boundary layer. On the other hand, increased turbulence levels induced by wind farms may partially undermine the rigid lid effect of the capping inversion, enhance vertical entrainment of air into the farm, and increase boundary layer growth. A suite of large eddy simulations (LES) is performed to investigate the effect of the capping inversion on the conventionally neutral atmospheric boundary layer and on the wind farm performance under varying initial conditions. For these simulations our in-house pseudo-spectral LES code SP-Wind is used. The wind turbines are modelled using a non-rotating actuator disk method. In the absence of wind farms, we find that a decrease in inversion strength corresponds to a decrease in the geostrophic angle and an increase in entrainment rate and geostrophic drag. Placing the initial inversion base at higher altitudes further reduces the effect of the capping inversion on the boundary layer. The inversion can be fully neglected once it is situated above the equilibrium height that a truly neutral boundary layer would attain under the same external conditions such as geostrophic wind speed and surface roughness. Wind farm simulations show the expected increase in boundary layer height and growth rate with respect to the case without wind farms. Raising the initial strength of the capping inversion in these simulations dampens the turbulent growth of the boundary layer above the farm, decreasing the farms energy extraction. The authors acknowledge support from the European Research Council (FP7-Ideas, grant no. 306471). Simulations were performed on the computing infrastructure of the VSC Flemish Supercomputer Center, funded by the Hercules Foundation and the Flemish Government.

A Protocol Layer Trust-Based Intrusion Detection Scheme for Wireless Sensor Networks

PubMed Central

Wang, Jian; Jiang, Shuai; Fapojuwo, Abraham O.

2017-01-01

This article proposes a protocol layer trust-based intrusion detection scheme for wireless sensor networks. Unlike existing work, the trust value of a sensor node is evaluated according to the deviations of key parameters at each protocol layer considering the attacks initiated at different protocol layers will inevitably have impacts on the parameters of the corresponding protocol layers. For simplicity, the paper mainly considers three aspects of trustworthiness, namely physical layer trust, media access control layer trust and network layer trust. The per-layer trust metrics are then combined to determine the overall trust metric of a sensor node. The performance of the proposed intrusion detection mechanism is then analyzed using the t-distribution to derive analytical results of false positive and false negative probabilities. Numerical analytical results, validated by simulation results, are presented in different attack scenarios. It is shown that the proposed protocol layer trust-based intrusion detection scheme outperforms a state-of-the-art scheme in terms of detection probability and false probability, demonstrating its usefulness for detecting cross-layer attacks. PMID:28555023

A Protocol Layer Trust-Based Intrusion Detection Scheme for Wireless Sensor Networks.

PubMed

Wang, Jian; Jiang, Shuai; Fapojuwo, Abraham O

2017-05-27

This article proposes a protocol layer trust-based intrusion detection scheme for wireless sensor networks. Unlike existing work, the trust value of a sensor node is evaluated according to the deviations of key parameters at each protocol layer considering the attacks initiated at different protocol layers will inevitably have impacts on the parameters of the corresponding protocol layers. For simplicity, the paper mainly considers three aspects of trustworthiness, namely physical layer trust, media access control layer trust and network layer trust. The per-layer trust metrics are then combined to determine the overall trust metric of a sensor node. The performance of the proposed intrusion detection mechanism is then analyzed using the t-distribution to derive analytical results of false positive and false negative probabilities. Numerical analytical results, validated by simulation results, are presented in different attack scenarios. It is shown that the proposed protocol layer trust-based intrusion detection scheme outperforms a state-of-the-art scheme in terms of detection probability and false probability, demonstrating its usefulness for detecting cross-layer attacks.

Steady flow of smooth, inelastic particles on a bumpy inclined plane: Hard and soft particle simulations

NASA Astrophysics Data System (ADS)

Tripathi, Anurag; Khakhar, D. V.

2010-04-01

We study smooth, slightly inelastic particles flowing under gravity on a bumpy inclined plane using event-driven and discrete-element simulations. Shallow layers (ten particle diameters) are used to enable simulation using the event-driven method within reasonable computational times. Steady flows are obtained in a narrow range of angles (13°-14.5°) ; lower angles result in stopping of the flow and higher angles in continuous acceleration. The flow is relatively dense with the solid volume fraction, ν≈0.5 , and significant layering of particles is observed. We derive expressions for the stress, heat flux, and dissipation for the hard and soft particle models from first principles. The computed mean velocity, temperature, stress, dissipation, and heat flux profiles of hard particles are compared to soft particle results for different values of stiffness constant (k) . The value of stiffness constant for which results for hard and soft particles are identical is found to be k≥2×106mg/d , where m is the mass of a particle, g is the acceleration due to gravity, and d is the particle diameter. We compare the simulation results to constitutive relations obtained from the kinetic theory of Jenkins and Richman [J. T. Jenkins and M. W. Richman, Arch. Ration. Mech. Anal. 87, 355 (1985)] for pressure, dissipation, viscosity, and thermal conductivity. We find that all the quantities are very well predicted by kinetic theory for volume fractions ν<0.5 . At higher densities, obtained for thicker layers ( H=15d and H=20d ), the kinetic theory does not give accurate prediction. Deviations of the kinetic theory predictions from simulation results are relatively small for dissipation and heat flux and most significant deviations are observed for shear viscosity and pressure. The results indicate the range of applicability of soft particle simulations and kinetic theory for dense flows.

Theoretical analysis of a novel ultrasound generator on an optical fiber tip

NASA Astrophysics Data System (ADS)

Wu, Nan; Wang, Wenhui; Tian, Ye; Guthy, Charles; Wang, Xingwei

2010-04-01

A novel ultrasound generator consisting of a single mode optical fiber with a layer of gold nanoparticles on its tip has been designed. The generator utilizes the optical and photo-acoustic properties of gold nanoparticles. When heated by laser pulses, a thin absorption layer made up of these nanoparticles at the cleaved surface of a single mode fiber generates a mechanical shock wave caused by thermal expansion. Mie's theory was applied in a MATLAB simulation to determine the relationship between the absorption efficiency and the optical resonance wavelengths of a layer of gold nanospheres. Results showed that the absorption efficiency and related resonance wavelengths of gold nanospheres varied based on the size of the gold nanosphere particles. In order to obtain the bandwidths associated with ultrasound, another MATLAB simulation was run to study the relationship between the power of the laser being used, the size of the gold nanosphere, and the energy decay time. The results of this and the previous simulation showed that the energy decay time is picoseconds in length.

Study on the Adsorption Phenomenon in Shale with the Combination of Molecular Dynamic Simulation and Fractal Analysis

NASA Astrophysics Data System (ADS)

Zhang, Liehui; Li, Jianchao; Jia, Du; Zhao, Yulong; Xie, Chunyu; Tao, Zhengwu

As one of the key status of gas in shale reservoir, adsorption gas accounts for considerable percentage of total gas amount. Due to the complexity and nanostructure of shale gas reservoir, it is very challenging to represent adsorption gas through traditional methods. However, the integration of the fractal theory and molecular dynamics (MD) simulation may provide a new perspective of understanding such nanostructure and the micro-phenomenon happening in it. The key purpose of this paper is to investigate the adsorption phenomenon in shale kerogen. By using MD simulation and grand canonical Monte Carlo (GCMC) algorithm, the adsorption of methane in 2, 5 and 10nm slit-like pores is simulated for different temperature and pressure status. According to the results, the average gas density in smaller pores is higher than that in bigger pores, and multilayer adsorption presents on some areas of pore surfaces. Then, the simulation results are analyzed using the multilayer fractal adsorption model. The analysis indicates that the number of adsorption layer increases with pressure increase: four-layer adsorption presents in 10nm pores while three-layer adsorption shows up in 2nm and 5nm pores due to pore volume limit. Fractal dimension of pore wall surface generated in this study is in the range of 2.31-2.63. Moreover, high temperature could decrease the adsorption behavior in reservoir condition.

Simulation of electrostatic turbulence in the plasma sheet boundary layer with electron currents and bean-shaped ion beams

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

Nishikawa, K.; Frank, L.A.; Huang, C.Y.

Plasma data from ISEE 1 show the presence of electron currents as well as energetic ion beams in the plasma sheet boundary layer. Broadband electrostatic noise and low-frequency electromagnetic bursts are detected in the plasma sheet boundary layer, especially in the presence of strong ion flows, currents, and steep spacial gradients in the fluxes of few-keV electrons and ions. Particle simulations have been performed to investigate electrostatic turbulence driven by a cold electron beam and/or ion beams with a bean-shaped velocity distribution. The simulation results show that the counterstreaming ion beams as well as the counterstreaming of the cold electronmore » beam and the ion beam excite ion acoustic waves with the Doppler-shifted real frequency ..omega..approx. = +- k/sub parallel/(c/sub s/-V/sub i//sub //sub parallel/). However, the effect of the bean-shaped ion velocity distributions reduces the growth rates of ion acoustic instability. The simulation results also show that the slowing down of the ion beam is larger at the larger perpendicular velocity. The wave spectra of the electric fields at some points for simulations show turbulence generated by growing waves. The frequency of these spectra ranges from ..cap omega../sub i/ to ..omega../sub p//sub e/, which is in qualitative agreement with the satellite data. copyright American Geophysical Union 1988« less

High Resolution Simulations of Pollution Vertical Stratification over Santiago and its Transport to the Chilean Andes

NASA Astrophysics Data System (ADS)

Orfanoz-Cheuquelaf, A. P.; Gallardo, L.; Huneeus, N.; Lambert, F.

2015-12-01

Santiago, Chile (33.5 S, 70.5 W, 500 m.a.s.l., population 7 millions) is a large city situated in a basin surrounded by the Andes in the East and smaller mountain ranges to the North, West, and South. It is plagued by abnormally high pollution levels for its size due to climatological and topological features. To date, it is unclear how far the urban pollution plume reaches up the mountain. Here we explore the region's complex atmospheric circulation and particularly the transport of black carbon (BC) using a state of the art numerical model (WRF-Chem, Weather Research and Forecasting model).Observations indicate the presence of multiple layers within the boundary layer, as well as the occurrence of uncoupled layers above the boundary layer. Here we explore mechanisms within our simulation that may explain these features. Our results suggest that they may correspond to residual layers that are produced by recirculation along mountain slopes due to the complex terrain around the city.In late August 2013, a short multi-platform measuring campaign (DIVERSOL) took place in the Santiago basin, providing the first vertical profiles of BC, accompanied by meteorological soundings. We analyze the dispersion of a quasi-passive tracer (carbon monoxide) of black carbon in our simulation to improve our understanding of the governing mixing and transport processes. We also perform sensitivity studies with respect to vertical resolution and turbulence schemes, contrasting our results against DIVERSOL data. Our simulations suggest that pollutants emitted in Santiago could reach the high regions of Andes mountains during the afternoon circulation, thus affecting local glaciers. With an entire year of simulation we find that the stratification of pollutants within the basin displays a seasonal signal, as well as a capacity to reach the Chilean Andes and affect the Andean cryosphere.

The "Grey Zone" cold air outbreak global model intercomparison: A cross evaluation using large-eddy simulations

NASA Astrophysics Data System (ADS)

Tomassini, Lorenzo; Field, Paul R.; Honnert, Rachel; Malardel, Sylvie; McTaggart-Cowan, Ron; Saitou, Kei; Noda, Akira T.; Seifert, Axel

2017-03-01

A stratocumulus-to-cumulus transition as observed in a cold air outbreak over the North Atlantic Ocean is compared in global climate and numerical weather prediction models and a large-eddy simulation model as part of the Working Group on Numerical Experimentation "Grey Zone" project. The focus of the project is to investigate to what degree current convection and boundary layer parameterizations behave in a scale-adaptive manner in situations where the model resolution approaches the scale of convection. Global model simulations were performed at a wide range of resolutions, with convective parameterizations turned on and off. The models successfully simulate the transition between the observed boundary layer structures, from a well-mixed stratocumulus to a deeper, partly decoupled cumulus boundary layer. There are indications that surface fluxes are generally underestimated. The amount of both cloud liquid water and cloud ice, and likely precipitation, are under-predicted, suggesting deficiencies in the strength of vertical mixing in shear-dominated boundary layers. But also regulation by precipitation and mixed-phase cloud microphysical processes play an important role in the case. With convection parameterizations switched on, the profiles of atmospheric liquid water and cloud ice are essentially resolution-insensitive. This, however, does not imply that convection parameterizations are scale-aware. Even at the highest resolutions considered here, simulations with convective parameterizations do not converge toward the results of convection-off experiments. Convection and boundary layer parameterizations strongly interact, suggesting the need for a unified treatment of convective and turbulent mixing when addressing scale-adaptivity.

An interdiffusional model for prediction of the interaction layer growth in the system uranium molybdenum/aluminum

NASA Astrophysics Data System (ADS)

Soba, A.; Denis, A.

2007-03-01

The codes PLACA and DPLACA, elaborated in this working group, simulate the behavior of a plate-type fuel containing in its core a foil of monolithic or dispersed fissile material, respectively, under normal operation conditions of a research reactor. Dispersion fuels usually consist of ceramic particles of a uranium compound in a high thermal conductivity matrix. The use of particles of a U-Mo alloy in a matrix of Al requires especially devoted subroutines able to simulate the growth of the interaction layer that develops between the particles and the matrix. A model is presented in this work that gives account of these particular phenomena. It is based on the assumption that diffusion of U and Al through the layer is the rate-determining step. Two moving interfaces separate the growing reaction layer from the original phases. The kinetics of these boundaries are solved as Stefan problems. In order to test the model and the associated code, some previous, simpler problems corresponding to similar systems for which analytical solutions or experimental data are known were simulated. Experiments performed with planar U-Mo/Al diffusion couples are reported in the literature, which purpose is to obtain information on the system parameters. These experiments were simulated with PLACA. Results of experiments performed with U-Mo particles disperse in Al either without or with irradiation, published in the open literature were simulated with DPLACA. A satisfactory prediction of the whole reaction layer thickness and of the individual fractions corresponding to alloy and matrix consumption was obtained.

Asymmetry of radiation damage properties in Al-Ti nanolayers

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

Setyawan, Wahyu; Gerboth, Matthew D.; Yao, Bo

2014-02-01

Molecular dynamics (MD) simulations were employed with empirical potentials to study the effects of multilayer interfaces and interface spacing in Al-Ti nanolayers. Several model interfaces derived from stacking of close-packed layers or face-centered cubic \\{100\\} layers were investigated. The simulations reveal significant and important asymmetries in defect production withmore » $$\\sim$$60\\% of vacancies created in Al layers compared to Ti layers within the Al-Ti multilayer system. The asymmetry in the creation of interstitials is even more pronounced. The asymmetries cause an imbalance in the ratio of vacancies and interstitials in films of dissimilar materials leading to $>$$90\\% of the surviving interstitials located in the Al layers. While in the close-packed nanolayers the interstitials migrate to the atomic layers adjacent to the interface of the Al layers, in the \\{100\\} nanolayers the interstitials migrate to the center of the Al layers and away from the interfaces. The degree of asymmetry and defect ratio imbalance increases as the layer spacing decreases in the multilayer films. Underlying physical processes are discussed including the interfacial strain fields and the individual elemental layer stopping power in nanolayered systems. In addition, experimental work was performed on low-dose (10$$^{16}$ atoms/cm$^2$) helium (He) irradiation on Al/Ti nanolayers (5 nm per film), resulting in He bubble formation $$\\sim$$1 nm in diameter in the Ti film near the interface. The correlation between the preferential flux of displaced atoms from Ti films to Al films during the defect production that is revealed in the simulations and the morphology and location of He bubbles from the experiments is discussed.« less

Wind and boundary layers in Rayleigh-Bénard convection. II. Boundary layer character and scaling.

PubMed

van Reeuwijk, Maarten; Jonker, Harm J J; Hanjalić, Kemo

2008-03-01

The scaling of the kinematic boundary layer thickness lambda(u) and the friction factor C(f) at the top and bottom walls of Rayleigh-Bénard convection is studied by direct numerical simulation (DNS). By a detailed analysis of the friction factor, a new parameterisation for C(f) and lambda(u) is proposed. The simulations were made of an L/H=4 aspect-ratio domain with periodic lateral boundary conditions at Ra=(10(5), 10(6), 10(7), 10(8)) and Pr=1. The continuous spectrum, as well as significant forcing due to Reynolds stresses, clearly indicates a turbulent character of the boundary layer, while viscous effects cannot be neglected, judging from the scaling of classical integral boundary layer parameters with Reynolds number. Using a conceptual wind model, we find that the friction factor C(f) should scale proportionally to the thermal boundary layer thickness as C(f) proportional variant lambda(Theta)/H, while the kinetic boundary layer thickness lambda(u) scales inversely proportionally to the thermal boundary layer thickness and wind Reynolds number lambda(u)/H proportional variant (lambda(Theta)/H)(-1)Re(-1). The predicted trends for C(f) and lambda(u) are in agreement with DNS results.

Influence of the charge double layer on solid oxide fuel cell stack behavior

NASA Astrophysics Data System (ADS)

Whiston, Michael M.; Bilec, Melissa M.; Schaefer, Laura A.

2015-10-01

While the charge double layer effect has traditionally been characterized as a millisecond phenomenon, longer timescales may be possible under certain operating conditions. This study simulates the dynamic response of a previously developed solid oxide fuel cell (SOFC) stack model that incorporates the charge double layer via an equivalent circuit. The model is simulated under step load changes. Baseline conditions are first defined, followed by consideration of minor and major deviations from the baseline case. This study also investigates the behavior of the SOFC stack with a relatively large double layer capacitance value, as well as operation of the SOFC stack under proportional-integral (PI) control. Results indicate that the presence of the charge double layer influences the SOFC stack's settling time significantly under the following conditions: (i) activation and concentration polarizations are significantly increased, or (ii) a large value of the double layer capacitance is assumed. Under normal (baseline) operation, on the other hand, the charge double layer effect diminishes within milliseconds, as expected. It seems reasonable, then, to neglect the charge double layer under normal operation. However, careful consideration should be given to potential variations in operation or material properties that may give rise to longer electrochemical settling times.

One hundred years of Arctic ice cover variations as simulated by a one-dimensional, ice-ocean model

NASA Astrophysics Data System (ADS)

Hakkinen, S.; Mellor, G. L.

1990-09-01

A one-dimensional ice-ocean model consisting of a second moment, turbulent closure, mixed layer model and a three-layer snow-ice model has been applied to the simulation of Arctic ice mass and mixed layer properties. The results for the climatological seasonal cycle are discussed first and include the salt and heat balance in the upper ocean. The coupled model is then applied to the period 1880-1985, using the surface air temperature fluctuations from Hansen et al. (1983) and from Wigley et al. (1981). The analysis of the simulated large variations of the Arctic ice mass during this period (with similar changes in the mixed layer salinity) shows that the variability in the summer melt determines to a high degree the variability in the average ice thickness. The annual oceanic heat flux from the deep ocean and the maximum freezing rate and associated nearly constant minimum surface salinity flux did not vary significantly interannually. This also implies that the oceanic influence on the Arctic ice mass is minimal for the range of atmospheric variability tested.

Electrostatic repulsive out-of-plane actuator using conductive substrate.

PubMed

Wang, Weimin; Wang, Qiang; Ren, Hao; Ma, Wenying; Qiu, Chuankai; Chen, Zexiang; Fan, Bin

2016-10-07

A pseudo-three-layer electrostatic repulsive out-of-plane actuator is proposed. It combines the advantages of two-layer and three-layer repulsive actuators, i.e., fabrication requirements and fill factor. A theoretical model for the proposed actuator is developed and solved through the numerical calculation of Schwarz-Christoffel mapping. Theoretical and simulated results show that the pseudo-three-layer actuator offers higher performance than the two-layer and three-layer actuators with regard to the two most important characteristics of actuators, namely, driving force and theoretical stroke. Given that the pseudo-three-layer actuator structure is compatible with both the parallel-plate actuators and these two types of repulsive actuators, a 19-element two-layer repulsive actuated deformable mirror is operated in pseudo-three-layer electrical connection mode. Theoretical and experimental results demonstrate that the pseudo-three-layer mode produces a larger displacement of 0-4.5 μm for a dc driving voltage of 0-100 V, when compared with that in two-layer mode.

Electrostatic repulsive out-of-plane actuator using conductive substrate

PubMed Central

Wang, Weimin; Wang, Qiang; Ren, Hao; Ma, Wenying; Qiu, Chuankai; Chen, Zexiang; Fan, Bin

2016-01-01

A pseudo-three-layer electrostatic repulsive out-of-plane actuator is proposed. It combines the advantages of two-layer and three-layer repulsive actuators, i.e., fabrication requirements and fill factor. A theoretical model for the proposed actuator is developed and solved through the numerical calculation of Schwarz-Christoffel mapping. Theoretical and simulated results show that the pseudo-three-layer actuator offers higher performance than the two-layer and three-layer actuators with regard to the two most important characteristics of actuators, namely, driving force and theoretical stroke. Given that the pseudo-three-layer actuator structure is compatible with both the parallel-plate actuators and these two types of repulsive actuators, a 19-element two-layer repulsive actuated deformable mirror is operated in pseudo-three-layer electrical connection mode. Theoretical and experimental results demonstrate that the pseudo-three-layer mode produces a larger displacement of 0–4.5 μm for a dc driving voltage of 0–100 V, when compared with that in two-layer mode. PMID:27713542

Simulating CO2 Leakage and Seepage From Geologic Carbon Sequestration Sites: Implications for Near-Surface Monitoring

NASA Astrophysics Data System (ADS)

Oldenburg, C. M.; Lewicki, J. L.; Zhang, Y.

2003-12-01

The injection of CO2 into deep geologic formations for the purpose of carbon sequestration entails risk that CO2 will leak upward from the target formation and ultimately seep out of the ground surface. We have developed a coupled subsurface and atmospheric surface layer modeling capability based on TOUGH2 to simulate CO2 leakage and seepage. Simulation results for representative subsurface and surface layer conditions are used to specify the requirements of potential near-surface monitoring strategies relevant to both health, safety, and environmental risk assessment as well as sequestration verification. The coupled model makes use of the standard multicomponent and multiphase framework of TOUGH2 and extends the model domain to include an atmospheric surface layer. In the atmospheric surface layer, we assume a logarithmic velocity profile for the time-averaged wind and make use of Pasquill-Gifford and Smagorinski dispersion coefficients to model surface layer dispersion. Results for the unsaturated zone and surface layer show that the vadose zone pore space can become filled with pure CO2 even for small leakage fluxes, but that CO2 concentrations above the ground surface are very low due to the strong effects of dispersion caused by surface winds. Ecological processes such as plant photosynthesis and root respiration, as well as biodegradation in soils, strongly affect near-surface CO2 concentrations and fluxes. The challenge for geologic carbon sequestration verification is to discern the leakage and seepage signal from the ecological signal. Our simulations point to the importance of subsurface monitoring and the need for geochemical (e.g., isotopic) analyses to distinguish leaking injected fossil CO2 from natural ecological CO2. This work was supported by the Office of Science, U.S. Department of Energy under contract No. DE-AC03-76SF00098.

Simulation and particle-tracking analysis of ground-water flow near the Savannah River site, Georgia and South Carolina, 2002, and for selected ground-water management scenarios, 2002 and 2020

USGS Publications Warehouse

Cherry, Gregory S.

2006-01-01

Ground-water flow under 2002 hydrologic conditions was evaluated in an eight-county area in Georgia and South Carolina near the Savannah River Site (SRS), by updating boundary conditions and pumping rates in an existing U.S. Geological Survey (USGS) ground-water model. The original ground-water model, developed to simulate hydrologic conditions during 1987-92, used the quasi-three-dimensional approach by dividing the Floridan, Dublin, and Midville aquifer systems into seven aquifers. The hydrogeologic system was modeled using six active layers (A2-A7) that were separated by confining units with an overlying source-sink layer to simulate the unconfined Upper Three Runs aquifer (layer A1). Potentiometric- surface maps depicting September 2002 for major aquifers were used to update, evaluate, and modify boundary conditions used by the earlier ground-water flow model. The model was updated using the USGS finite-difference code MODFLOW-2000 for mean-annual conditions during 1987-92 and 2002. The specified heads in the source-sink layer A1 were lowered to reflect observed water-level declines during the 1998-2002 drought. These declines resulted in a decrease of 12.1 million gallons per day (Mgal/d) in simulated recharge or vertical inflow to the uppermost confined aquifer (Gordon, layer A2). Although ground-water pumpage in the study area has increased by 32 Mgal/d since 1995, most of this increase (17.5 Mgal/d) was from the unconfined Upper Three Runs aquifer (source-sink layer A1) with the remaining 14.5 Mgal/d assigned to the active layers within the model (A2-A7). The simulated water budget for 2002 shows a decrease from the 1987-92 model from 1,040 Mgal/d to 1,035 Mgal/d. The decreased ground-water inflows and increased ground-water withdrawal rates reduced the simulated ground-water outflow to river cells in the active layers of the model by 43 Mgal/d. The calibration statistics for all layers of the 2002 simulation resulted in a decrease in the root mean square (RMS) of the residuals from 10.6 to 8.0 feet (ft). The residuals indicate 83.3 percent of the values for the 2002 simulation met the calibration error criteria established in the original model, whereas 88.8 percent was within the specified range for the 1987-92 simulation. Simulated ground-water outflow to the Savannah River and its tributaries during water year 2002 was 560 cubic feet per second (ft3/s), or 86 percent of the observed gain in mean-annual streamflow between streamflow gaging stations at the Millhaven, Ga., and Augusta, Ga. At Upper Three Runs Creek, simulated ground-water discharge during 2002 was 110 ft3/s, or 83 percent of the observed streamflow at two streamflow gaging stations near the SRS. These results indicate that the constructed model calibrated to 1987-92 conditions and modified for 2002 dry conditions is still representative of the hydrologic system. The USGS particle-tracking code MODPATH was used to generate advective water-particle pathlines and their associated time-of-travel based on MODFLOW simulations for 1987-92, 2002, and each of four hypothetical ground-water management scenarios. The four hypothetical ground-water management scenarios represent hydrologic conditions for (1) reported pumping for 2002 and boundary conditions for an average year; (2) reported pumping for 2002 with SRS pumping discontinued and boundary conditions for an average year; (3) projected 2020 pumping and boundary conditions for an average year; and (4) projected 2020 pumping and boundary conditions for a dry year. The MODPATH code was used in forward-tracking mode to evaluate flowpaths from areas on the SRS and in backtracking mode to evaluate further areas of previously documented trans-river flow on the Georgia side of the Savannah River. Trans-river flow is a condition in which the local head gradients might allow migration of contaminants from the SRS into the underlying aquifers and beneath the Savannah River into Georgia. More...

Thermal runaway detection of cylindrical 18650 lithium-ion battery under quasi-static loading conditions

NASA Astrophysics Data System (ADS)

Sheikh, Muhammad; Elmarakbi, Ahmed; Elkady, Mustafa

2017-12-01

This paper focuses on state of charge (SOC) dependent mechanical failure analysis of 18650 lithium-ion battery to detect signs of thermal runaway. Quasi-static loading conditions are used with four test protocols (Rod, Circular punch, three-point bend and flat plate) to analyse the propagation of mechanical failures and failure induced temperature changes. Finite element analysis (FEA) is used to model single battery cell with the concentric layered formation which represents a complete cell. The numerical simulation model is designed with solid element formation where stell casing and all layers followed the same formation, and fine mesh is used for all layers. Experimental work is also performed to analyse deformation of 18650 lithium-ion cell. The numerical simulation model is validated with experimental results. Deformation of cell mimics thermal runaway and various thermal runaway detection strategies are employed in this work including, force-displacement, voltage-temperature, stress-strain, SOC dependency and separator failure. Results show that cell can undergo severe conditions even with no fracture or rupture, these conditions may slow to develop but they can lead to catastrophic failures. The numerical simulation technique is proved to be useful in predicting initial battery failures, and results are in good correlation with the experimental results.

Kinetic Simulations of the Lowest-order Unstable Mode of Relativistic Magnetostatic Equilibria

NASA Astrophysics Data System (ADS)

Nalewajko, Krzysztof; Zrake, Jonathan; Yuan, Yajie; East, William E.; Blandford, Roger D.

2016-08-01

We present the results of particle-in-cell numerical pair plasma simulations of relativistic two-dimensional magnetostatic equilibria known as the “Arnold-Beltrami-Childress” fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of “X-point collapse” first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers are disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process, leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers. The maximum particle energy is proportional to the mean magnetization, which is attributed partly to the increase of the effective electric field and partly to the increase of the acceleration timescale. We describe in detail the evolving structure of the dynamical current layers and report on the conservation of magnetic helicity. These results can be applied to highly magnetized astrophysical environments, where ideal plasma instabilities trigger rapid magnetic dissipation with efficient particle acceleration and flares of high-energy radiation.

KINETIC SIMULATIONS OF THE LOWEST-ORDER UNSTABLE MODE OF RELATIVISTIC MAGNETOSTATIC EQUILIBRIA

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

Nalewajko, Krzysztof; Zrake, Jonathan; Yuan, Yajie

2016-08-01

We present the results of particle-in-cell numerical pair plasma simulations of relativistic two-dimensional magnetostatic equilibria known as the “Arnold–Beltrami–Childress” fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of “X-point collapse” first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers aremore » disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process, leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers. The maximum particle energy is proportional to the mean magnetization, which is attributed partly to the increase of the effective electric field and partly to the increase of the acceleration timescale. We describe in detail the evolving structure of the dynamical current layers and report on the conservation of magnetic helicity. These results can be applied to highly magnetized astrophysical environments, where ideal plasma instabilities trigger rapid magnetic dissipation with efficient particle acceleration and flares of high-energy radiation.« less

Simulations of turbulent asymptotic suction boundary layers

NASA Astrophysics Data System (ADS)

Bobke, Alexandra; Örlü, Ramis; Schlatter, Philipp

2016-02-01

A series of large-eddy simulations of a turbulent asymptotic suction boundary layer (TASBL) was performed in a periodic domain, on which uniform suction was applied over a flat plate. Three Reynolds numbers (defined as ratio of free-stream and suction velocity) of Re = 333, 400 and 500 and a variety of domain sizes were considered in temporal simulations in order to investigate the turbulence statistics, the importance of the computational domain size, the arising flow structures as well as temporal development length required to achieve the asymptotic state. The effect of these two important parameters was assessed in terms of their influence on integral quantities, mean velocity, Reynolds stresses, higher order statistics, amplitude modulation and spectral maps. While the near-wall region up to the buffer region appears to scale irrespective of Re and domain size, the parameters of the logarithmic law (i.e. von Kármán and additive coefficient) decrease with increasing Re, while the wake strength decreases with increasing spanwise domain size and vanishes entirely once the spanwise domain size exceeds approximately two boundary-layer thicknesses irrespective of Re. The wake strength also reduces with increasing simulation time. The asymptotic state of the TASBL is characterised by surprisingly large friction Reynolds numbers and inherits features of wall turbulence at numerically high Re. Compared to a turbulent boundary layer (TBL) or a channel flow without suction, the components of the Reynolds-stress tensor are overall reduced, but exhibit a logarithmic increase with decreasing suction rates, i.e. increasing Re. At the same time, the anisotropy is increased compared to canonical wall-bounded flows without suction. The reduced amplitudes in turbulence quantities are discussed in light of the amplitude modulation due to the weakened larger outer structures. The inner peak in the spectral maps is shifted to higher wavelength and the strength of the outer peak is much less than for TBLs. An additional spatial simulation was performed, in order to relate the simulation results to wind tunnel experiments, which - in accordance with the results from the temporal simulation - indicate that a truly TASBL is practically impossible to realise in a wind tunnel. Our unique data set agrees qualitatively with existing literature results for both numerical and experimental studies, and at the same time sheds light on the fact why the asymptotic state could not be established in a wind tunnel experiment, viz. because experimental studies resemble our simulation results from too small simulation boxes or insufficient development times.

Large eddy simulation of a boundary layer with concave streamwise curvature

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1993-01-01

One of the most exciting recent developments in the field of large eddy simulation (LES) is the dynamic subgrid-scale model. The dynamic model concept is a general procedure for evaluating model constants by sampling a band of the smallest scales actually resolved in the simulation. To date, the procedure has been used primarily in conjunction with the Smagorinsky model. The dynamic procedure has the advantage that the value of the model constant need not be specified a priori, but rather is calculated as a function of space and time as the simulation progresses. This feature makes the dynamic model especially attractive for flows in complex geometries where it is difficult or impossible to calibrate model constants. The dynamic model was highly successful in benchmark tests involving homogeneous and channel flows. Having demonstrated the potential of the dynamic model in these simple flows, the overall direction of the LES effort at CTR shifted toward an evaluation of the model in more complex situations. The current test cases are basic engineering-type flows for which Reynolds averaged approaches were unable to model the turbulence to within engineering accuracy. Flows currently under investigation include a backward-facing step, wake behind a circular cylinder, airfoil at high angles of attack, separated flow in a diffuser, and boundary layer over a concave surface. Preliminary results from the backward-facing step and cylinder wake simulations are encouraging. Progress on the LES of a boundary layer on a concave surface is discussed. Although the geometry of a concave wall is not very complex, the boundary layer that develops on its surface is difficult to model due to the presence of streamwise Taylor-Gortler vortices. These vortices arise as a result of a centrifugal instability associated with the convex curvature.

Raman Monte Carlo simulation for light propagation for tissue with embedded objects

NASA Astrophysics Data System (ADS)

Periyasamy, Vijitha; Jaafar, Humaira Bte; Pramanik, Manojit

2018-02-01

Monte Carlo (MC) stimulation is one of the prominent simulation technique and is rapidly becoming the model of choice to study light-tissue interaction. Monte Carlo simulation for light transport in multi-layered tissue (MCML) is adapted and modelled with different geometry by integrating embedded objects of various shapes (i.e., sphere, cylinder, cuboid and ellipsoid) into the multi-layered structure. These geometries would be useful in providing a realistic tissue structure such as modelling for lymph nodes, tumors, blood vessels, head and other simulation medium. MC simulations were performed on various geometric medium. Simulation of MCML with embedded object (MCML-EO) was improvised for propagation of the photon in the defined medium with Raman scattering. The location of Raman photon generation is recorded. Simulations were experimented on a modelled breast tissue with tumor (spherical and ellipsoidal) and blood vessels (cylindrical). Results were presented in both A-line and B-line scans for embedded objects to determine spatial location where Raman photons were generated. Studies were done for different Raman probabilities.

Responses of plant available water and forest productivity to variably layered coarse textured soils

NASA Astrophysics Data System (ADS)

Huang, Mingbin; Barbour, Lee; Elshorbagy, Amin; Si, Bing; Zettl, Julie

2010-05-01

Reforestation is a primary end use for reconstructed soils following oil sands mining in northern Alberta, Canada. Limited soil water conditions strongly restrict plant growth. Previous research has shown that layering of sandy soils can produce enhanced water availability for plant growth; however, the effect of gradation on these enhancements is not well defined. The objective of this study was to evaluate the effect of soil texture (gradation and layering) on plant available water and consequently on forest productivity for reclaimed coarse textured soils. A previously validated system dynamics (SD) model of soil moisture dynamics was coupled with ecophysiological and biogeochemical processes model, Biome-BGC-SD, to simulate forest dynamics for different soil profiles. These profiles included contrasting 50 cm textural layers of finer sand overlying coarser sand in which the sand layers had either a well graded or uniform soil texture. These profiles were compared to uniform profiles of the same sands. Three tree species of jack pine (Pinus banksiana Lamb.), white spruce (Picea glauce Voss.), and trembling aspen (Populus tremuloides Michx.) were simulated using a 50 year climatic data base from northern Alberta. Available water holding capacity (AWHC) was used to identify soil moisture regime, and leaf area index (LAI) and net primary production (NPP) were used as indices of forest productivity. Published physiological parameters were used in the Biome-BGC-SD model. Relative productivity was assessed by comparing model predictions to the measured above-ground biomass dynamics for the three tree species, and was then used to study the responses of forest leaf area index and potential productivity to AWHC on different soil profiles. Simulated results indicated soil layering could significantly increase AWHC in the 1-m profile for coarse textured soils. This enhanced AWHC could result in an increase in forest LAI and NPP. The increased extent varied with soil textures and vegetative types. The simulated results showed that the presence of 50 cm of coarser graded sand overlying 50 cm of finer graded sand is the most effective reclaimed prescription to increase AWHC and forest productivity among the studied soil profiles.

Boundary layer evolution over the central Himalayas from radio wind profiler and model simulations

NASA Astrophysics Data System (ADS)

Singh, Narendra; Solanki, Raman; Ojha, Narendra; Janssen, Ruud H. H.; Pozzer, Andrea; Dhaka, Surendra K.

2016-08-01

We investigate the time evolution of the Local Boundary Layer (LBL) for the first time over a mountain ridge at Nainital (79.5° E, 29.4° N, 1958 m a.m.s.l.) in the central Himalayan region, using a radar wind profiler (RWP) during November 2011 to March 2012, as a part of the Ganges Valley Aerosol Experiment (GVAX). We restrict our analysis to clear-sunny days, resulting in a total of 78 days of observations. The standard criterion of the peak in the signal-to-noise ratio (S / N) profile was found to be inadequate in the characterization of mixed layer (ML) top at this site. Therefore, we implemented a criterion of S / N > 6 dB for the characterization of the ML and the resulting estimations are shown to be in agreement with radiosonde measurements over this site. The daytime average (05:00-10:00 UTC) observed boundary layer height ranges from 440 ± 197 m in November (late autumn) to 766 ± 317 m above ground level (a.g.l.) in March (early spring). The observations revealed a pronounced impact of mountain topography on the LBL dynamics during March, when strong winds (> 5.6 m s-1) lead to LBL heights of 650 m during nighttime. The measurements are further utilized to evaluate simulations from the Weather Research and Forecasting (WRF) model. WRF simulations captured the day-to-day variations up to an extent (r2 = 0.5), as well as the mean diurnal variations (within 1σ variability). The mean biases in the daytime average LBL height vary from -7 % (January) to +30 % (February) between model and observations, except during March (+76 %). Sensitivity simulations using a mixed layer model (MXL/MESSy) indicated that the springtime overestimation of LBL would lead to a minor uncertainty in simulated surface ozone concentrations. However, it would lead to a significant overestimation of the dilution of black carbon aerosols at this site. Our work fills a gap in observations of local boundary layer over this complex terrain in the Himalayas, and highlights the need for year-long simultaneous measurements of boundary layer dynamics and air quality to better understand the role of lower tropospheric dynamics in pollution transport.

Optical measurements of absorption changes in two-layered diffusive media

NASA Astrophysics Data System (ADS)

Fabbri, Francesco; Sassaroli, Angelo; Henry, Michael E.; Fantini, Sergio

2004-04-01

We have used Monte Carlo simulations for a two-layered diffusive medium to investigate the effect of a superficial layer on the measurement of absorption variations from optical diffuse reflectance data processed by using: (a) a multidistance, frequency-domain method based on diffusion theory for a semi-infinite homogeneous medium; (b) a differential-pathlength-factor method based on a modified Lambert-Beer law for a homogeneous medium and (c) a two-distance, partial-pathlength method based on a modified Lambert-Beer law for a two-layered medium. Methods (a) and (b) lead to a single value for the absorption variation, whereas method (c) yields absorption variations for each layer. In the simulations, the optical coefficients of the medium were representative of those of biological tissue in the near-infrared. The thickness of the first layer was in the range 0.3-1.4 cm, and the source-detector distances were in the range 1-5 cm, which is typical of near-infrared diffuse reflectance measurements in tissue. The simulations have shown that (1) method (a) is mostly sensitive to absorption changes in the underlying layer, provided that the thickness of the superficial layer is ~0.6 cm or less; (2) method (b) is significantly affected by absorption changes in the superficial layer and (3) method (c) yields the absorption changes for both layers with a relatively good accuracy of ~4% for the superficial layer and ~10% for the underlying layer (provided that the absorption changes are less than 20-30% of the baseline value). We have applied all three methods of data analysis to near-infrared data collected on the forehead of a human subject during electroconvulsive therapy. Our results suggest that the multidistance method (a) and the two-distance partial-pathlength method (c) may better decouple the contributions to the optical signals that originate in deeper tissue (brain) from those that originate in more superficial tissue layers.

CFD on hypersonic flow geometries with aeroheating

NASA Astrophysics Data System (ADS)

Sohail, Muhammad Amjad; Chao, Yan; Hui, Zhang Hui; Ullah, Rizwan

2012-11-01

The hypersonic flowfield around a blunted cone and cone-flare exhibits some of the major features of the flows around space vehicles, e.g. a detached bow shock in the stagnation region and the oblique shock wave/boundary layer interaction at the cone-flare junction. The shock wave/boundary layer interaction can produce a region of separated flow. This phenomenon may occur, for example, at the upstream-facing corner formed by a deflected control surface on a hypersonic entry vehicle, where the length of separation has implications for control effectiveness. Computational fluid-dynamics results are presented to show the flowfield around a blunted cone and cone-flare configurations in hypersonic flow with separation. This problem is of particular interest since it features most of the aspects of the hypersonic flow around planetary entry vehicles. The region between the cone and the flare is particularly critical with respect to the evaluation of the surface pressure and heat flux with aeroheating. Indeed, flow separation is induced by the shock wave boundary layer interaction, with subsequent flow reattachment, that can dramatically enhance the surface heat transfer. The exact determination of the extension of the recirculation zone is a particularly delicate task for numerical codes. Laminar flow and turbulent computations have been carried out using a full Navier-Stokes solver, with freestream conditions provided by the experimental data obtained at Mach 6, 8, and 16.34 wind tunnel. The numerical results are compared with the measured pressure and surface heat flux distributions in the wind tunnel and a good agreement is found, especially on the length of the recirculation region and location of shock waves. The critical physics of entropy layer, boundary layers, boundary layers and shock wave interaction and flow behind shock are properly captured and elaborated.. Hypersonic flows are characterized by high Mach number and high total enthalpy. An elevated temperature often results in thermo-chemical reactions in the gas, which play a major role in aero thermodynamic characterization of high-speed aerospace vehicles. Computational simulation of such flows, therefore, needs to account for a range of physical phenomena. Further, the numerical challenges involved in resolving strong gradients and discontinuities add to the complexity of computational fluid dynamics (CFD) simulation. In this article, physical modeling and numerical methodology-related issues involved in hypersonic flow simulation are highlighted. State-of-the-art CFD challenges are discussed in the context of many prominent applications of hypersonic flows. In the first part of paper, hypersonic flow is simulated and aerodynamics characteristics are calculated. Then aero heating with chemical reactions are added in the simulations and in the end part heat transfer with turbulence modeling is simulated. Results are compared with available data.

Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

NASA Astrophysics Data System (ADS)

Zhao, Junhua; Jiang, Jin-Wu; Rabczuk, Timon

2013-12-01

The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS2) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS2. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.

Adding Complex Terrain and Stable Atmospheric Condition Capability to the OpenFOAM-based Flow Solver of the Simulator for On/Offshore Wind Farm Applications (SOWFA): Preprint

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

Churchfield, M. J.; Sang, L.; Moriarty, P. J.

This paper describes changes made to NREL's OpenFOAM-based wind plant aerodynamics solver such that it can compute the stably stratified atmospheric boundary layer and flow over terrain. Background about the flow solver, the Simulator for Off/Onshore Wind Farm Applications (SOWFA) is given, followed by details of the stable stratification/complex terrain modifications to SOWFA, along with somepreliminary results calculations of a stable atmospheric boundary layer and flow over a simply set of hills.

Adding Complex Terrain and Stable Atmospheric Condition Capability to the Simulator for On/Offshore Wind Farm Applications (SOWFA) (Presentation)

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

Churchfield, M. J.

This presentation describes changes made to NREL's OpenFOAM-based wind plant aerodynamics solver so that it can compute the stably stratified atmospheric boundary layer and flow over terrain. Background about the flow solver, the Simulator for Off/Onshore Wind Farm Applications (SOWFA) is given, followed by details of the stable stratification/complex terrain modifications to SOWFA, along with some preliminary results calculations of a stable atmospheric boundary layer and flow over a simple set of hills.

Numerical Simulation of Vortex Ring Formation in the Presence of Background Flow: Implications for Squid Propulsion

NASA Astrophysics Data System (ADS)

Jiang, Houshuo; Grosenbaugh, Mark A.

2002-11-01

Numerical simulations are used to study the laminar vortex ring formation in the presence of background flow. The numerical setup includes a round-headed axisymmetric body with a sharp-wedged opening at the posterior end where a column of fluid is pushed out by a piston inside the body. The piston motion is explicitly included into the simulations by using a deforming mesh. The numerical method is verified by simulating the standard vortex ring formation process in quiescent fluid for a wide range of piston stroke to cylinder diameter ratios (Lm/D). The results from these simulations confirm the existence of a universal formation time scale (formation number) found by others from experimental and numerical studies. For the case of vortex ring formation by the piston/cylinder arrangement in a constant background flow (i.e. the background flow is in the direction of the piston motion), the results show that a smaller fraction of the ejected circulation is delivered into the leading vortex ring, thereby decreasing the formation number. The mechanism behind this reduction is believed to be related to the modification of the shear layer profile between the jet flow and the background flow by the external boundary layer on the outer surface of the cylinder. In effect, the vorticity in the jet is cancelled by the opposite signed vorticity in the external boundary layer. Simulations using different end geometries confirm the general nature of the phenomenon. The thrust generated from the jet and the drag forces acting on the body are calculated with and without background flow for different piston programs. The implications of these results for squid propulsion are discussed.

Structure of an electric double layer containing a 2:2 valency dimer electrolyte

DOE PAGES

Silvestre-Alcantara, Whasington; Henderson, Douglas; Wu, Jianzhong; ...

2014-12-05

In this study, the structure of a planar electric double layer formed by a 2:2 valency dimer electrolyte in the vicinity of a uniformly charged planar hard electrode is investigated using density functional theory and Monte Carlo simulations. The dimer electrolyte consists of a mixture of charged divalent dimers and charged divalent monomers in a dielectric continuum. A dimer is constructed by two tangentially tethered rigid spheres, one of which is divalent and positively charged and the other neutral, whereas the monomer is a divalent and negatively charged rigid sphere. The density functional theory reproduces well the simulation results formore » (i) the singlet distributions of the various ion species with respect to the electrode, and (ii) the mean electrostatic potential. Lastly, comparison with earlier results for a 2:1/1:2 dimer electrolyte shows that the double layer structure is similar when the counterion has the same valency.« less

A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe2As2

NASA Astrophysics Data System (ADS)

Frawley, Keara G.; Bakst, Ian; Sypek, John T.; Vijayan, Sriram; Weinberger, Christopher R.; Canfield, Paul C.; Aindow, Mark; Lee, Seok-Woo

2018-04-01

The plastic deformation and fracture mechanisms in single-crystalline CaFe2As2 has been studied using nanoindentation and density functional theory simulations. CaFe2As2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe2As2 has an atomic-scale layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe2As2 layers.

A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe 2As 2

DOE PAGES

Frawley, Keara G.; Bakst, Ian; Sypek, John T.; ...

2018-04-10

In this paper, the plastic deformation and fracture mechanisms in single-crystalline CaFe 2As 2 has been studied using nanoindentation and density functional theory simulations. CaFe 2As 2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe 2As 2 has an atomic-scalemore » layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe 2As 2 layers.« less

Electrical double layers and differential capacitance in molten salts from density functional theory

DOE PAGES

Frischknecht, Amalie L.; Halligan, Deaglan O.; Parks, Michael L.

2014-08-05

Classical density functional theory (DFT) is used to calculate the structure of the electrical double layer and the differential capacitance of model molten salts. The DFT is shown to give good qualitative agreement with Monte Carlo simulations in the molten salt regime. The DFT is then applied to three common molten salts, KCl, LiCl, and LiKCl, modeled as charged hard spheres near a planar charged surface. The DFT predicts strong layering of the ions near the surface, with the oscillatory density profiles extending to larger distances for larger electrostatic interactions resulting from either lower temperature or lower dielectric constant. Inmore » conclusion, overall the differential capacitance is found to be bell-shaped, in agreement with recent theories and simulations for ionic liquids and molten salts, but contrary to the results of the classical Gouy-Chapman theory.« less

A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe 2As 2

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

Frawley, Keara G.; Bakst, Ian; Sypek, John T.

In this paper, the plastic deformation and fracture mechanisms in single-crystalline CaFe 2As 2 has been studied using nanoindentation and density functional theory simulations. CaFe 2As 2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe 2As 2 has an atomic-scalemore » layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe 2As 2 layers.« less

Monte Carlo design and simulation of a grid-type multi-layer pixel collimator for radiotherapy: Feasibility study

NASA Astrophysics Data System (ADS)

Yoon, Do-Kun; Jung, Joo-Young; Suh, Tae Suk

2014-05-01

In order to confirm the possibility of field application of a different type collimator with a multileaf collimator (MLC), we constructed a grid-type multi-layer pixel collimator (GTPC) by using a Monte Carlo n-particle simulation (MCNPX). In this research, a number of factors related to the performance of the GPTC were evaluated using simulated output data of a basic MLC model. A layer was comprised of a 1024-pixel collimator (5.0 × 5.0 mm2) which could operate individually as a grid-type collimator (32 × 32). A 30-layer collimator was constructed for a specific portal form to pass radiation through the opening and closing of each pixel cover. The radiation attenuation level and the leakage were compared between the GTPC modality simulation and MLC modeling (tungsten, 17.50 g/cm3, 5.0 × 70.0 × 160.0 mm3) currently used for a radiation field. Comparisons of the portal imaging, the lateral dose profile from a virtual water phantom, the dependence of the performance on the increase in the number of layers, the radiation intensity modulation verification, and the geometric error between the GTPC and the MLC were done using the MCNPX simulation data. From the simulation data, the intensity modulation of the GTPC showed a faster response than the MLC's (29.6%). In addition, the agreement between the doses that should be delivered to the target region was measured as 97.0%, and the GTPC system had an error below 0.01%, which is identical to that of MLC. A Monte Carlo simulation of the GTPC could be useful for verification of application possibilities. Because the line artifact is caused by the grid frame and the folded cover, a lineal dose transfer type is chosen for the operation of this system. However, the result of GTPC's performance showed that the methods of effective intensity modulation and the specific geometric beam shaping differed with the MLC modality.

Validation of the k- ω turbulence model for the thermal boundary layer profile of effusive cooled walls

NASA Astrophysics Data System (ADS)

Hink, R.

2015-09-01

The choice of materials for rocket chamber walls is limited by its thermal resistance. The thermal loads can be reduced substantially by the blowing out of gases through a porous surface. The k- ω-based turbulence models for computational fluid dynamic simulations are designed for smooth, non-permeable walls and have to be adjusted to account for the influence of injected fluids. Wilcox proposed therefore an extension for the k- ω turbulence model for the correct prediction of turbulent boundary layer velocity profiles. In this study, this extension is validated against experimental thermal boundary layer data from the Thermosciences Division of the Department of Mechanical Engineering from the Stanford University. All simulations are performed with a finite volume-based in-house code of the German Aerospace Center. Several simulations with different blowing settings were conducted and discussed in comparison to the results of the original model and in comparison to an additional roughness implementation. This study has permitted to understand that velocity profile corrections are necessary in contrast to additional roughness corrections to predict the correct thermal boundary layer profile of effusive cooled walls. Finally, this approach is applied to a two-dimensional simulation of an effusive cooled rocket chamber wall.

FDTD simulations of localization and enhancements on fractal plasmonics nanostructures.

PubMed

Buil, Stéphanie; Laverdant, Julien; Berini, Bruno; Maso, Pierre; Hermier, Jean-Pierre; Quélin, Xavier

2012-05-21

A parallelized 3D FDTD (Finite-Difference Time-Domain) solver has been used to study the near-field electromagnetic intensity upon plasmonics nanostructures. The studied structures are obtained from AFM (Atomic Force Microscopy) topography measured on real disordered gold layers deposited by thermal evaporation under ultra-high vacuum. The simulation results obtained with these 3D metallic nanostructures are in good agreement with previous experimental results: the localization of the electromagnetic intensity in subwavelength areas ("hot spots") is demonstrated; the spectral and polarization dependences of the position of these "hot spots" are also satisfactory; the enhancement factors obtained are realistic compared to the experimental ones. These results could be useful to further our understanding of the electromagnetic behavior of random metal layers.

Insights into the structure of covalently bound fatty acid monolayers on a simplified model of the hair epicuticle from molecular dynamics simulations.

PubMed

Cheong, Daniel W; Lim, Freda C H; Zhang, Liping

2012-09-11

The epicuticle is the outermost layer of the human hair, and consists of a monolayer of fatty acids that is predominantly 18-methyleicosanoic acid (18-MEA) covalently bound to a protein matrix. Surprisingly, despite the clear scientific and industrial importance, the detailed molecular structure of this fatty acid layer is still poorly understood. In this work, we aim to gain insight into the structure of this so-called F-layer by performing molecular dynamics simulations on a simplified hair surface model consisting of a monolayer of 18-MEA covalently attached to graphene sheets at various separation distances. The relative free energy of the fatty acid layer was calculated as a function of separation distance in order to obtain the optimal packing density of the fatty acids. Conformational properties such as the thickness, tilt angle, and order parameter of the fatty acid layers were also calculated to characterize the structure of the F-layer. Simulations of the structurally similar eicosanoic acid (EA) were also performed as a comparison and to investigate the role of the anteiso-methyl side chain at the 18th position of 18-MEA. The degree of water penetration into the fatty acid layer at the various separation distances was also investigated. Our simulations suggest that the optimal spacing for the fatty acids is between 0.492 and 0.651 nm, in contrast to the generally accepted literature value of around 0.9-1.0 nm. This results in a packing density of between 0.21 and 0.37 nm(2) per fatty acid molecule and a thickness of around 2.01-2.64 nm. We also show that, at larger separation distances, the 18-MEA fatty acid provides a slightly better hydrophobic layer than the EA fatty acid, suggesting that the 18-MEA fatty acid may have been naturally selected to provide better protection for the hair when it loses some of the fatty acids due to daily wear and tear. To our knowledge, this is the first attempt to systematically investigate the hair surface structure and properties with molecular simulations.

Validated numerical simulation model of a dielectric elastomer generator

NASA Astrophysics Data System (ADS)

Foerster, Florentine; Moessinger, Holger; Schlaak, Helmut F.

2013-04-01

Dielectric elastomer generators (DEG) produce electrical energy by converting mechanical into electrical energy. Efficient operation requires homogeneous deformation of each single layer. However, by different internal and external influences like supports or the shape of a DEG the deformation will be inhomogeneous and hence negatively affect the amount of the generated electrical energy. Optimization of the deformation behavior leads to improved efficiency of the DEG and consequently to higher energy gain. In this work a numerical simulation model of a multilayer dielectric elastomer generator is developed using the FEM software ANSYS. The analyzed multilayer DEG consists of 49 active dielectric layers with layer thicknesses of 50 μm. The elastomer is silicone (PDMS) while the compliant electrodes are made of graphite powder. In the simulation the real material parameters of the PDMS and the graphite electrodes need to be included. Therefore, the mechanical and electrical material parameters of the PDMS are determined by experimental investigations of test samples while the electrode parameters are determined by numerical simulations of test samples. The numerical simulation of the DEG is carried out as coupled electro-mechanical simulation for the constant voltage energy harvesting cycle. Finally, the derived numerical simulation model is validated by comparison with analytical calculations and further simulated DEG configurations. The comparison of the determined results show good accordance with regard to the deformation of the DEG. Based on the validated model it is now possible to optimize the DEG layout for improved deformation behavior with further simulations.

Large Eddy Simulation of Heat Entrainment Under Arctic Sea Ice

NASA Astrophysics Data System (ADS)

Ramudu, Eshwan; Gelderloos, Renske; Yang, Di; Meneveau, Charles; Gnanadesikan, Anand

2018-01-01

Arctic sea ice has declined rapidly in recent decades. The faster than projected retreat suggests that free-running large-scale climate models may not be accurately representing some key processes. The small-scale turbulent entrainment of heat from the mixed layer could be one such process. To better understand this mechanism, we model the Arctic Ocean's Canada Basin, which is characterized by a perennial anomalously warm Pacific Summer Water (PSW) layer residing at the base of the mixed layer and a summertime Near-Surface Temperature Maximum (NSTM) within the mixed layer trapping heat from solar radiation. We use large eddy simulation (LES) to investigate heat entrainment for different ice-drift velocities and different initial temperature profiles. The value of LES is that the resolved turbulent fluxes are greater than the subgrid-scale fluxes for most of our parameter space. The results show that the presence of the NSTM enhances heat entrainment from the mixed layer. Additionally there is no PSW heat entrained under the parameter space considered. We propose a scaling law for the ocean-to-ice heat flux which depends on the initial temperature anomaly in the NSTM layer and the ice-drift velocity. A case study of "The Great Arctic Cyclone of 2012" gives a turbulent heat flux from the mixed layer that is approximately 70% of the total ocean-to-ice heat flux estimated from the PIOMAS model often used for short-term predictions. Present results highlight the need for large-scale climate models to account for the NSTM layer.

In-situ falling-head test for hydraulic conductivity: Evaluation in layered sediments of an analysis derived for homogenous sediments

NASA Astrophysics Data System (ADS)

Burnette, Matthew C.; Genereux, David P.; Birgand, François

2016-08-01

The hydraulic conductivity (K) of streambeds is a critical variable controlling interaction of groundwater and surface water. The Hvorslev analysis for estimating K from falling-head test data has been widely used since the 1950s, but its performance in layered sandy sediments common in streams and lakes has not previously been examined. Our numerical simulations and laboratory experiments show that the Hvorslev analysis yields accurate K values in both homogenous sediment (for which the analysis was originally derived) and layered deposits with low-K sand over high-K sand. K from the Hvorslev analysis deviated significantly from true K only when two conditions were present together: (1) high-K sand was present over low-K sand, and (2) the bottom of the permeameter in which K was measured was at or very near the interface between high-K and low-K. When this combination of conditions exists, simulation and laboratory sand tank results show that in-situ Hvorslev K underestimates the true K of the sediment within a permeameter, because the falling-head test is affected by low-K sediment outside of (below the bottom of) the permeameter. In simulation results, the maximum underestimation (occurring when the bottom of the permeameter was at the interface of high K over low K) was by a factor of 0.91, 0.59, and 0.12 when the high-K to low-K ratio was 2, 10, and 100, respectively. In laboratory sand tank experiments, the underestimation was by a factor of about 0.83 when the high-K to low-K ratio was 2.3. Also, this underestimation of K by the Hvorslev analysis was about the same whether the underlying low-K layer was 2 cm or 174 cm thick (1% or 87% of the domain thickness). Numerical model simulations were useful in the interpretation of in-situ field K profiles at streambed sites with layering; specifically, scaling the model results to the maximum measured K at the top of the field K profiles helped constrain the likely ratio of high K to low K at field locations with layered heterogeneity. Vertical K values are important in field studies of groundwater-surface water interaction, and the Hvorslev analysis can be a useful tool, even in layered media, when applied carefully.

Adaptive Grid Refinement for Atmospheric Boundary Layer Simulations

NASA Astrophysics Data System (ADS)

van Hooft, Antoon; van Heerwaarden, Chiel; Popinet, Stephane; van der linden, Steven; de Roode, Stephan; van de Wiel, Bas

2017-04-01

We validate and benchmark an adaptive mesh refinement (AMR) algorithm for numerical simulations of the atmospheric boundary layer (ABL). The AMR technique aims to distribute the computational resources efficiently over a domain by refining and coarsening the numerical grid locally and in time. This can be beneficial for studying cases in which length scales vary significantly in time and space. We present the results for a case describing the growth and decay of a convective boundary layer. The AMR results are benchmarked against two runs using a fixed, fine meshed grid. First, with the same numerical formulation as the AMR-code and second, with a code dedicated to ABL studies. Compared to the fixed and isotropic grid runs, the AMR algorithm can coarsen and refine the grid such that accurate results are obtained whilst using only a fraction of the grid cells. Performance wise, the AMR run was cheaper than the fixed and isotropic grid run with similar numerical formulations. However, for this specific case, the dedicated code outperformed both aforementioned runs.

Thickened boundary layer theory for air film drag reduction on a van body surface

NASA Astrophysics Data System (ADS)

Xie, Xiaopeng; Cao, Lifeng; Huang, Heng

2018-05-01

To elucidate drag reduction mechanism on a van body surface under air film condition, a thickened boundary layer theory was proposed and a frictional resistance calculation model of the van body surface was established. The frictional resistance on the van body surface was calculated with different parameters of air film thickness. In addition, the frictional resistance of the van body surface under the air film condition was analyzed by computational fluid dynamics (CFD) simulation and different air film states that influenced the friction resistance on the van body surface were discussed. As supported by the CFD simulation results, the thickened boundary layer theory may provide reference for practical application of air film drag reduction on a van body surface.

Physics and control of wall turbulence for drag reduction.

PubMed

Kim, John

2011-04-13

Turbulence physics responsible for high skin-friction drag in turbulent boundary layers is first reviewed. A self-sustaining process of near-wall turbulence structures is then discussed from the perspective of controlling this process for the purpose of skin-friction drag reduction. After recognizing that key parts of this self-sustaining process are linear, a linear systems approach to boundary-layer control is discussed. It is shown that singular-value decomposition analysis of the linear system allows us to examine different approaches to boundary-layer control without carrying out the expensive nonlinear simulations. Results from the linear analysis are consistent with those observed in full nonlinear simulations, thus demonstrating the validity of the linear analysis. Finally, fundamental performance limit expected of optimal control input is discussed.

Simulating Porous Magnetite Layer Deposited on Alloy 690TT Steam Generator Tubes

PubMed Central

Jeon, Soon-Hyeok; Son, Yeong-Ho; Choi, Won-Ik; Song, Geun Dong; Hur, Do Haeng

2018-01-01

In nuclear power plants, the main corrosion product that is deposited on the outside of steam generator tubes is porous magnetite. The objective of this study was to simulate porous magnetite that is deposited on thermally treated (TT) Alloy 690 steam generator tubes. A magnetite layer was electrodeposited on an Alloy 690TT substrate in an Fe(III)-triethanolamine solution. After electrodeposition, the dense magnetite layer was immersed to simulate porous magnetite deposits in alkaline solution for 50 days at room temperature. The dense morphology of the magnetite layer was changed to a porous structure by reductive dissolution reaction. The simulated porous magnetite layer was compared with flakes of steam generator tubes, which were collected from the secondary water system of a real nuclear power plant during sludge lancing. Possible nuclear research applications using simulated porous magnetite specimens are also proposed. PMID:29301316

Impact of Isolation and Immobilization Layers on the Electro-Mechanical Response of Piezoresistive Nano Cantilever Sensors.

PubMed

Mathew, Ribu; Sankar, A Ravi

2018-03-01

In the last decade, piezoresistive nano cantilever sensors have been extensively explored, especially for chemical and biological sensing applications. Piezoresistive cantilever sensors are multi-layer structures with different constituent materials. Performance of such sensors is a function of their geometry and constituent materials. For a fixed material set, the pre-requisite for optimizing the performance of a composite piezoresistive cantilever sensor is careful geometrical design of its constituent layers. Even though, treatise encompasses various designs of such sensors, typically for computational simplicity the functional layers i.e., the isolation and immobilization layers are neglected in the modeling stages. In this paper, we elucidate the impact of the functional layers on the electro-mechanical response of composite piezoresistive nano cantilever sensors. Systematic and detailed computations are performed using theoretical models and numerical simulations. Results show that both the isolation and immobilization layers play a critical role in governing the sensor performance. Simulation results depict that compared to a sensor with an isolation layer of thickness 100 nm, a sensor without isolation layer has 36.29% and 42.51% better deflection sensitivity and electrical sensitivity respectively. Furthermore, it is found that when an immobilization layer of thickness 40 nm is added atop the isolation layer, the deflection sensitivity and electrical sensitivity reduces by 12.98% and 15.83% respectively. Through our investigation it is shown that the isolation and immobilization layers not only play a vital role in determining the stability and electro-mechanical response of the sensor but their negligence in the design stages can be detrimental. Apart from investigating the impact of the immobilization layer thickness, to model the sensor closer to real time operational conditions, we have performed analysis to understand the impact of non-uniformity in the immobilization layer thickness and non-uniform surface stress loading on the electro-mechanical response of the sensor. Results and inferences obtained from this study will help NEMS engineers to optimize the performance of piezoresistive nano cantilever sensors and to design multi-layer cantilever platform structures for other transducers.

Numerical simulation of multi-layered textile composite reinforcement forming

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

Wang, P.; Hamila, N.; Boisse, P.

2011-05-04

One important perspective in aeronautics is to produce large, thick or/and complex structural composite parts. The forming stage presents an important role during the whole manufacturing process, especially for LCM processes (Liquid Composites Moulding) or CFRTP (Continuous Fibre Reinforcements and Thermoplastic resin). Numerical simulations corresponding to multi-layered composite forming allow the prediction for a successful process to produce the thick parts, and importantly, the positions of the fibres after forming to be known. This paper details a set of simulation examples carried out by using a semi-discrete shell finite element made up of unit woven cells. The internal virtual workmore » is applied on all woven cells of the element taking into account tensions, in-plane shear and bending effects. As one key problem, the contact behaviours of tool/ply and ply/ply are described in the numerical model. The simulation results not only improve our understanding of the multi-layered composite forming process but also point out the importance of the fibre orientation and inter-ply friction during formability.« less

Coral Reef Remote Sensing Using Simulated VIIRS and LDCM Imagery

NASA Technical Reports Server (NTRS)

Estep, Leland; Spruce, Joseph P.; Blonski, Slawomir; Moore, Roxzana

2008-01-01

The Rapid Prototyping Capability (RPC) node at NASA Stennis Space Center, MS, was used to simulate NASA next-generation sensor imagery over well-known coral reef areas: Looe Key, FL, and Kaneohe Bay, HI. The objective was to assess the degree to which next-generation sensor systems-the Visible/Infrared Imager/Radiometer Suite (VIIRS) and the Landsat Data Continuity Mission (LDCM)- might provide key input to the National Oceanographic and Atmospheric Administration (NOAA) Integrated Coral Observing Network (ICON)/Coral Reef Early Warning System (CREWS) Decision Support Tool (DST). The DST data layers produced from the simulated imagery concerned water quality and benthic classification map layers. The water optical parameters of interest were chlorophyll (Chl) and the absorption coefficient (a). The input imagery used by the RPC for simulation included spaceborne (Hyperion) and airborne (AVIRIS) hyperspectral data. Specific field data to complement and aid in validation of the overflight data was used when available. The results of the experiment show that the next-generation sensor systems are capable of providing valuable data layer resources to NOAA s ICON/CREWS DST.

Coral Reef Remote Sensing using Simulated VIIRS and LDCM Imagery

NASA Technical Reports Server (NTRS)

Estep, Leland; Spruce, Joseph P.

2007-01-01

The Rapid Prototyping Capability (RPC) node at NASA Stennis Space Center, MS, was used to simulate NASA next-generation sensor imagery over well-known coral reef areas: Looe Key, FL, and Kaneohe Bay, HI. The objective was to assess the degree to which next-generation sensor systems the Visible/Infrared Imager/Radiometer Suite (VIIRS) and the Landsat Data Continuity Mission (LDCM) might provide key input to the National Oceanographic and Atmospheric Administration (NOAA) Integrated Coral Observing Network (ICON)/Coral Reef Early Warning System (CREWS) Decision Support Tool (DST). The DST data layers produced from the simulated imagery concerned water quality and benthic classification map layers. The water optical parameters of interest were chlorophyll (Chl) and the absorption coefficient (a). The input imagery used by the RPC for simulation included spaceborne (Hyperion) and airborne (AVIRIS) hyperspectral data. Specific field data to complement and aid in validation of the overflight data was used when available. The results of the experiment show that the next-generation sensor systems are capable of providing valuable data layer resources to NOAA's ICON/CREWS DST.

Quantitative computational infrared imaging of buoyant diffusion flames

NASA Astrophysics Data System (ADS)

Newale, Ashish S.

Studies of infrared radiation from turbulent buoyant diffusion flames impinging on structural elements have applications to the development of fire models. A numerical and experimental study of radiation from buoyant diffusion flames with and without impingement on a flat plate is reported. Quantitative images of the radiation intensity from the flames are acquired using a high speed infrared camera. Large eddy simulations are performed using fire dynamics simulator (FDS version 6). The species concentrations and temperature from the simulations are used in conjunction with a narrow-band radiation model (RADCAL) to solve the radiative transfer equation. The computed infrared radiation intensities rendered in the form of images and compared with the measurements. The measured and computed radiation intensities reveal necking and bulging with a characteristic frequency of 7.1 Hz which is in agreement with previous empirical correlations. The results demonstrate the effects of stagnation point boundary layer on the upstream buoyant shear layer. The coupling between these two shear layers presents a model problem for sub-grid scale modeling necessary for future large eddy simulations.

Simulations of laminar boundary-layer flow encountering large-scale surface indentions

NASA Astrophysics Data System (ADS)

Beratlis, N.; Balaras, E.; Squires, K.; Vizard, A.

2016-03-01

The transition from laminar to turbulent flow over dimples and grooves has been investigated through a series of direct numerical simulations. Emphasis has been given to the mechanism of transition and the momentum transport in the post-dimple boundary layer. It has been found that the dimple geometry plays an important role in the evolution of the turbulent boundary layer downstream. The mechanism of transition in all cases is that of the reorientation of the spanwise vorticity into streamwise oriented structures resembling hairpin vortices commonly encountered in wall bounded turbulent flows. Although qualitatively the transition mechanism amongst the three different cases is similar, important quantitative differences exist. It was shown that two-dimensional geometries like a groove are more stable than three-dimensional geometries like a dimple. In addition, it was found that the cavity geometry controls the initial thickness of the boundary layer and practically results in a shift of the virtual origin of the turbulent boundary layer. Important differences in the momentum transport downstream of the dimples exist but in all cases the boundary layer grows in a self-similar manner.

Kinetic Monte Carlo simulation of the efficiency roll-off, emission color, and degradation of organic light-emitting diodes (Presentation Recording)

NASA Astrophysics Data System (ADS)

Coehoorn, Reinder; van Eersel, Harm; Bobbert, Peter A.; Janssen, Rene A. J.

2015-10-01

The performance of Organic Light Emitting Diodes (OLEDs) is determined by a complex interplay of the charge transport and excitonic processes in the active layer stack. We have developed a three-dimensional kinetic Monte Carlo (kMC) OLED simulation method which includes all these processes in an integral manner. The method employs a physically transparent mechanistic approach, and is based on measurable parameters. All processes can be followed with molecular-scale spatial resolution and with sub-nanosecond time resolution, for any layer structure and any mixture of materials. In the talk, applications to the efficiency roll-off, emission color and lifetime of white and monochrome phosphorescent OLEDs [1,2] are demonstrated, and a comparison with experimental results is given. The simulations show to which extent the triplet-polaron quenching (TPQ) and triplet-triplet-annihilation (TTA) contribute to the roll-off, and how the microscopic parameters describing these processes can be deduced properly from dedicated experiments. Degradation is treated as a result of the (accelerated) conversion of emitter molecules to non-emissive sites upon a triplet-polaron quenching (TPQ) process. The degradation rate, and hence the device lifetime, is shown to depend on the emitter concentration and on the precise type of TPQ process. Results for both single-doped and co-doped OLEDs are presented, revealing that the kMC simulations enable efficient simulation-assisted layer stack development. [1] H. van Eersel et al., Appl. Phys. Lett. 105, 143303 (2014). [2] R. Coehoorn et al., Adv. Funct. Mater. (2015), publ. online (DOI: 10.1002/adfm.201402532)

Application of fire and evacuation models in evaluation of fire safety in railway tunnels

NASA Astrophysics Data System (ADS)

Cábová, Kamila; Apeltauer, Tomáš; Okřinová, Petra; Wald, František

2017-09-01

The paper describes an application of numerical simulation of fire dynamics and evacuation of people in a tunnel. The software tool Fire Dynamics Simulator is used to simulate temperature resolution and development of smoke in a railway tunnel. Comparing to temperature curves which are usually used in the design stage results of the model show that the numerical model gives lower temperature of hot smoke layer. Outputs of the numerical simulation of fire also enable to improve models of evacuation of people during fires in tunnels. In the presented study the calculated high of smoke layer in the tunnel is in 10 min after the fire ignition lower than the level of 2.2 m which is considered as the maximal limit for safe evacuation. Simulation of the evacuation process in bigger scale together with fire dynamics can provide very valuable information about important security conditions like Available Safe Evacuation Time (ASET) vs Required Safe Evacuation Time (RSET). On given example in software EXODUS the paper summarizes selected results of evacuation model which should be in mind of a designer when preparing an evacuation plan.

Generation of Subsurface Voids, Incubation Effect, and Formation of Nanoparticles in Short Pulse Laser Interactions with Bulk Metal Targets in Liquid: Molecular Dynamics Study

PubMed Central

2017-01-01

The ability of short pulse laser ablation in liquids to produce clean colloidal nanoparticles and unusual surface morphology has been employed in a broad range of practical applications. In this paper, we report the results of large-scale molecular dynamics simulations aimed at revealing the key processes that control the surface morphology and nanoparticle size distributions by pulsed laser ablation in liquids. The simulations of bulk Ag targets irradiated in water are performed with an advanced computational model combining a coarse-grained representation of liquid environment and an atomistic description of laser interaction with metal targets. For the irradiation conditions that correspond to the spallation regime in vacuum, the simulations predict that the water environment can prevent the complete separation of the spalled layer from the target, leading to the formation of large subsurface voids stabilized by rapid cooling and solidification. The subsequent irradiation of the laser-modified surface is found to result in a more efficient ablation and nanoparticle generation, thus suggesting the possibility of the incubation effect in multipulse laser ablation in liquids. The simulations performed at higher laser fluences that correspond to the phase explosion regime in vacuum reveal the accumulation of the ablation plume at the interface with the water environment and the formation of a hot metal layer. The water in contact with the metal layer is brought to the supercritical state and provides an environment suitable for nucleation and growth of small metal nanoparticles from metal atoms emitted from the hot metal layer. The metal layer itself has limited stability and can readily disintegrate into large (tens of nanometers) nanoparticles. The layer disintegration is facilitated by the Rayleigh–Taylor instability of the interface between the higher density metal layer decelerated by the pressure from the lighter supercritical water. The nanoparticles emerging from the layer disintegration are rapidly cooled and solidified due to the interaction with water environment, with a cooling rate of ∼2 × 1012 K/s observed in the simulations. The computational prediction of two distinct mechanisms of nanoparticle formation yielding nanoparticles with different characteristic sizes provides a plausible explanation for the experimental observations of bimodal nanoparticle size distributions in laser ablation in liquids. The ultrahigh cooling and solidification rates suggest the possibility for generation of nanoparticles featuring metastable phases and highly nonequilibrium structures. PMID:28798858

Increase in the Random Dopant Induced Threshold Fluctuations and Lowering in Sub 100 nm MOSFETs Due to Quantum Effects: A 3-D Density-Gradient Simulation Study

NASA Technical Reports Server (NTRS)

Asenov, Asen; Slavcheva, G.; Brown, A. R.; Davies, J. H.; Saini, S.

2000-01-01

In this paper we present a detailed simulation study of the influence of quantum mechanical effects in the inversion layer on random dopant induced threshold voltage fluctuations and lowering in sub 100 nm MOSFETs. The simulations have been performed using a 3-D implementation of the density gradient (DG) formalism incorporated in our established 3-D atomistic simulation approach. This results in a self-consistent 3-D quantum mechanical picture, which implies not only the vertical inversion layer quantisation but also the lateral confinement effects related to current filamentation in the 'valleys' of the random potential fluctuations. We have shown that the net result of including quantum mechanical effects, while considering statistical dopant fluctuations, is an increase in both threshold voltage fluctuations and lowering. At the same time, the random dopant induced threshold voltage lowering partially compensates for the quantum mechanical threshold voltage shift in aggressively scaled MOSFETs with ultrathin gate oxides.

Atmospheric Corrosion Behavior and Mechanism of a Ni-Advanced Weathering Steel in Simulated Tropical Marine Environment

NASA Astrophysics Data System (ADS)

Wu, Wei; Zeng, Zhongping; Cheng, Xuequn; Li, Xiaogang; Liu, Bo

2017-12-01

Corrosion behavior of Ni-advanced weathering steel, as well as carbon steel and conventional weathering steel, in a simulated tropical marine atmosphere was studied by field exposure and indoor simulation tests. Meanwhile, morphology and composition of corrosion products formed on the exposed steels were surveyed through scanning electron microscopy, energy-dispersive x-ray spectroscopy and x-ray diffraction. Results indicated that the additive Ni in weathering steel played an important role during the corrosion process, which took part in the formation of corrosion products, enriched in the inner rust layer and promoted the transformation from loose γ-FeOOH to dense α-FeOOH. As a result, the main aggressive ion, i.e., Cl-, was effectively separated in the outer rust layer which leads to the lowest corrosion rate among these tested steels. Thus, the resistance of Ni-advanced weathering steel to atmospheric corrosion was significantly improved in a simulated tropical marine environment.

Numerical Simulation of Roughness-Induced Transient Growth in a Laminar Boundary Layer

NASA Technical Reports Server (NTRS)

Fischer, Paul; Choudhari, Meelan

2004-01-01

Numerical simulations are used to examine the roughness-induced transient growth in a laminar boundary-layer flow. Based on the spectral element method, these simulations model the stationary disturbance field associated with a nonsmooth roughness geometry, such as the spanwise periodic array of circular disks used by White and co-workers during a series of wind tunnel experiments at Case Western Reserve University. Besides capturing the major trends from the recent measurements by White and Ergin, the simulations provide additional information concerning the relative accuracy of the experimental findings derived from two separate wall-finding procedures. The paper also explores the dependence of transient growth on geometric characteristics of the roughness distribution, including the height and planform shape of the roughness element and the ratio of roughness due to spacing between an adjacent pair of elements. Results are used for a preliminary assessment of the differences between recently reported theoretical results of Tumin and Reshotko and the measurements by White and Ergin.

Combined Monte Carlo and path-integral method for simulated library of time-resolved reflectance curves from layered tissue models

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Vishwanath, Karthik; Mycek, Mary-Ann

2009-02-01

Monte Carlo (MC) simulations are considered the "gold standard" for mathematical description of photon transport in tissue, but they can require large computation times. Therefore, it is important to develop simple and efficient methods for accelerating MC simulations, especially when a large "library" of related simulations is needed. A semi-analytical method involving MC simulations and a path-integral (PI) based scaling technique generated time-resolved reflectance curves from layered tissue models. First, a zero-absorption MC simulation was run for a tissue model with fixed scattering properties in each layer. Then, a closed-form expression for the average classical path of a photon in tissue was used to determine the percentage of time that the photon spent in each layer, to create a weighted Beer-Lambert factor to scale the time-resolved reflectance of the simulated zero-absorption tissue model. This method is a unique alternative to other scaling techniques in that it does not require the path length or number of collisions of each photon to be stored during the initial simulation. Effects of various layer thicknesses and absorption and scattering coefficients on the accuracy of the method will be discussed.

Large Eddy Simulation of Wake Vortices in the Convective Boundary Layer

NASA Technical Reports Server (NTRS)

Lin, Yuh-Lang; Han, Jongil; Zhang, Jing; Ding, Feng; Arya, S. Pal; Proctor, Fred H.

2000-01-01

The behavior of wake vortices in a convective boundary layer is investigated using a validated large eddy simulation model. Our results show that the vortices are largely deformed due to strong turbulent eddy motion while a sinusoidal Crow instability develops. Vortex rising is found to be caused by the updrafts (thermals) during daytime convective conditions and increases with increasing nondimensional turbulence intensity eta. In the downdraft region of the convective boundary layer, vortex sinking is found to be accelerated proportional to increasing eta, with faster speed than that in an ideal line vortex pair in an inviscid fluid. Wake vortices are also shown to be laterally transported over a significant distance due to large turbulent eddy motion. On the other hand, the decay rate of the, vortices in the convective boundary layer that increases with increasing eta, is larger in the updraft region than in the downdraft region because of stronger turbulence in the updraft region.

Simulations of carbon sputtering in fusion reactor divertor plates

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

Marian, J; Zepeda-Ruiz, L A; Gilmer, G H

2005-10-03

The interaction of edge plasma with material surfaces raises key issues for the viability of the International Thermonuclear Reactor (ITER) and future fusion reactors, including heat-flux limits, net material erosion, and impurity production. After exposure of the graphite divertor plate to the plasma in a fusion device, an amorphous C/H layer forms. This layer contains 20-30 atomic percent D/T bonded to C. Subsequent D/T impingement on this layer produces a variety of hydrocarbons that are sputtered back into the sheath region. We present molecular dynamics (MD) simulations of D/T impacts on amorphous carbon layer as a function of ion energymore » and orientation, using the AIREBO potential. In particular, energies are varied between 10 and 150 eV to transition from chemical to physical sputtering. These results are used to quantify yield, hydrocarbon composition and eventual plasma contamination.« less

Wet-chemical dissolution of TRISO-coated simulated high-temperature-reactor fuel particles

NASA Astrophysics Data System (ADS)

Skolo, K. P.; Jacobs, P.; Venter, J. H.; Klopper, W.; Crouse, P. L.

2012-01-01

Chemical etching with different mixtures of acidic solutions has been investigated to disintegrate the two outermost coatings from tri-structural isotropic coated particles containing zirconia kernels, which are used in simulated particles instead of uranium dioxide. A scanning electron microscope (SEM) was used to study the morphology of the particles after the first etching step as well as at different stages of the second etching step. SEM examination shows that the outer carbon layer can be readily removed with a CrO 3-HNO 3/H 2SO 4 solution. This finding was verified by energy dispersive spectroscopy (EDS) analysis. Etching of the silicon carbide layer in a hydrofluoric-nitric solution yielded partial removal of the coating and localized attack of the underlying coating layers. The SEM results provide evidence that the etching of the silicon carbide layer is strongly influenced by its microstructure.

Physics of magnetospheric boundary layers

NASA Technical Reports Server (NTRS)

Cairns, Iver H.

1995-01-01

This final report was concerned with the ideas that: (1) magnetospheric boundary layers link disparate regions of the magnetosphere-solar wind system together; and (2) global behavior of the magnetosphere can be understood only by understanding its internal linking mechanisms and those with the solar wind. The research project involved simultaneous research on the global-, meso-, and micro-scale physics of the magnetosphere and its boundary layers, which included the bow shock, the magnetosheath, the plasma sheet boundary layer, and the ionosphere. Analytic, numerical, and simulation projects were performed on these subjects, as well as comparisons of theoretical results with observational data. Other related activity included in the research included: (1) prediction of geomagnetic activity; (2) global MHD (magnetohydrodynamic) simulations; (3) Alfven resonance heating; and (4) Critical Ionization Velocity (CIV) effect. In the appendixes are list of personnel involved, list of papers published; and reprints or photocopies of papers produced for this report.

Simulation Study of Single-Event Burnout in Power Trench ACCUFETs

NASA Astrophysics Data System (ADS)

Yu, Cheng-Hao; Wang, Ying; Fei, Xin-Xing; Cao, Fei

2016-10-01

This paper presents 2-D numerical simulation results of single-event burnout (SEB) in power trench accumulation mode field effect transistor (ACCUFET) for the first time. In this device, a p+ base region is used to deplete the n- base region to achieve a low leakage current density, and the blocking voltage is supported by the n- drift region. We find that the depth of the p+ base region determines both the leakage current density and SEB performance, as a result, there is a tradeoff relationship between the two characteristics. The 60 V hardened power ACCUFET shown in this paper could demonstrate much better SEB performance without sacrificing the current handling capability compared with the standard UMOSFET. The hardened structure mentioned in this paper indicates that an n buffer layer is added between the epitaxial layer and substrate layer based on a basic power device. As a result, the safe operating area (SOA) of the 60 V, 80 V and 100 V hardened ACCUFET discussed in this paper could reach the value of breakdown voltage when the buffer layer is over a certain value, that can realize safety operation throughout entire LET range.

A Nested Modeling Scheme for High-resolution Simulation of the Aquitard Compaction in a Regional Groundwater Extraction Field

NASA Astrophysics Data System (ADS)

Aichi, M.; Tokunaga, T.

2006-12-01

In the fields that experienced both significant drawdown/land subsidence and the recovery of groundwater potential, temporal change of the effective stress in the clayey layers is not simple. Conducting consolidation tests of core samples is a straightforward approach to know the pre-consolidation stress. However, especially in the urban area, the cost of boring and the limitation of sites for boring make it difficult to carry out enough number of tests. Numerical simulation to reproduce stress history can contribute to selecting boring sites and to complement the results of the laboratory tests. To trace the effective stress profile in the clayey layers by numerical simulation, discretization in the clayey layers should be fine. At the same time, the size of the modeled domain should be large enough to calculate the effect of regional groundwater extraction. Here, we developed a new scheme to reduce memory consumption based on domain decomposition technique. A finite element model of coupled groundwater flow and land subsidence is used for the local model, and a finite difference groundwater flow model is used for the regional model. The local model is discretized to fine mesh in the clayey layers to reproduce the temporal change of pore pressure in the layers while the regional model is discretized to relatively coarse mesh to reproduce the effect of the regional groundwater extraction on the groundwater flow. We have tested this scheme by comparing the results obtained from this scheme with those from the finely gridded model for the entire calculation domain. The difference between the results of these models was small enough and our new scheme can be used for the practical problem.

Direct numerical simulation of turbulent boundary layer with fully resolved particles at low volume fraction.

PubMed

Luo, Kun; Hu, Chenshu; Wu, Fan; Fan, Jianren

2017-05-01

In the present work, a direct numerical simulation (DNS) of dilute particulate flow in a turbulent boundary layer has been conducted, containing thousands of finite-sized solid rigid particles. The particle surfaces are resolved with the multi-direct forcing immersed-boundary method. This is, to the best of the authors' knowledge, the first DNS study of a turbulent boundary layer laden with finite-sized particles. The particles have a diameter of approximately 11.3 wall units, a density of 3.3 times that of the fluid, and a solid volume fraction of 1/1000. The simulation shows that the onset and the completion of the transition processes are shifted earlier with the inclusion of the solid phase and that the resulting streamwise mean velocity of the boundary layer in the particle-laden case is almost consistent with the results of the single-phase case. At the same time, relatively stronger particle movements are observed in the near-wall regions, due to the driving of the counterrotating streamwise vortexes. As a result, increased levels of dissipation occur on the particle surfaces, and the root mean square of the fluctuating velocities of the fluid in the near-wall regions is decreased. Under the present parameters, including the particle Stokes number St + = 24 and the particle Reynolds number Re p = 33 based on the maximum instantaneous fluid-solid velocity lag, no vortex shedding behind the particle is observed. Lastly, a trajectory analysis of the particles shows the influence of turbophoresis on particle wall-normal concentration, and the particles that originated between y + = 60 and 2/3 of the boundary-layer thickness are the most influenced.

Direct numerical simulation of turbulent boundary layer with fully resolved particles at low volume fraction

PubMed Central

Luo, Kun; Hu, Chenshu; Wu, Fan; Fan, Jianren

2017-01-01

In the present work, a direct numerical simulation (DNS) of dilute particulate flow in a turbulent boundary layer has been conducted, containing thousands of finite-sized solid rigid particles. The particle surfaces are resolved with the multi-direct forcing immersed-boundary method. This is, to the best of the authors’ knowledge, the first DNS study of a turbulent boundary layer laden with finite-sized particles. The particles have a diameter of approximately 11.3 wall units, a density of 3.3 times that of the fluid, and a solid volume fraction of 1/1000. The simulation shows that the onset and the completion of the transition processes are shifted earlier with the inclusion of the solid phase and that the resulting streamwise mean velocity of the boundary layer in the particle-laden case is almost consistent with the results of the single-phase case. At the same time, relatively stronger particle movements are observed in the near-wall regions, due to the driving of the counterrotating streamwise vortexes. As a result, increased levels of dissipation occur on the particle surfaces, and the root mean square of the fluctuating velocities of the fluid in the near-wall regions is decreased. Under the present parameters, including the particle Stokes number St+ = 24 and the particle Reynolds number Rep = 33 based on the maximum instantaneous fluid-solid velocity lag, no vortex shedding behind the particle is observed. Lastly, a trajectory analysis of the particles shows the influence of turbophoresis on particle wall-normal concentration, and the particles that originated between y+ = 60 and 2/3 of the boundary-layer thickness are the most influenced. PMID:29104418

Direct numerical simulation of turbulent boundary layer with fully resolved particles at low volume fraction

NASA Astrophysics Data System (ADS)

Luo, Kun; Hu, Chenshu; Wu, Fan; Fan, Jianren

2017-05-01

In the present work, a direct numerical simulation (DNS) of dilute particulate flow in a turbulent boundary layer has been conducted, containing thousands of finite-sized solid rigid particles. The particle surfaces are resolved with the multi-direct forcing immersed-boundary method. This is, to the best of the authors' knowledge, the first DNS study of a turbulent boundary layer laden with finite-sized particles. The particles have a diameter of approximately 11.3 wall units, a density of 3.3 times that of the fluid, and a solid volume fraction of 1/1000. The simulation shows that the onset and the completion of the transition processes are shifted earlier with the inclusion of the solid phase and that the resulting streamwise mean velocity of the boundary layer in the particle-laden case is almost consistent with the results of the single-phase case. At the same time, relatively stronger particle movements are observed in the near-wall regions, due to the driving of the counterrotating streamwise vortexes. As a result, increased levels of dissipation occur on the particle surfaces, and the root mean square of the fluctuating velocities of the fluid in the near-wall regions is decreased. Under the present parameters, including the particle Stokes number St+ = 24 and the particle Reynolds number Rep = 33 based on the maximum instantaneous fluid-solid velocity lag, no vortex shedding behind the particle is observed. Lastly, a trajectory analysis of the particles shows the influence of turbophoresis on particle wall-normal concentration, and the particles that originated between y+ = 60 and 2/3 of the boundary-layer thickness are the most influenced.

RF breakdown in "cold" slow wave structures operating at travelling wave mode of TM01

NASA Astrophysics Data System (ADS)

Yuan, Yuzhang; Zhang, Jun; Zhong, Huihuang; Zhang, Dian; Bai, Zhen; Zhu, Danni

2018-01-01

RF breakdown experiments and simulations in "cold" slow wave structures (SWSs) are executed. All the SWSs are designed as traveling wave structures, which operate at the π/2 mode of TM01 waves. The experimental results indicate that the input microwave energy is mainly absorbed, not reflected by the RF breakdown process in traveling wave SWSs. Both larger magnitude of Es-max and more numbers of periods of SWSs aggravate the microwave absorption in the breakdown process and bring about a shorter transmission pulse width. We think that the critical surface E-field of the multi-period SWSs is 1 MV/cm. However, little correlation between RF breakdown effects and Bext is observed in the experiments. The simulation conditions are coincident with the experimental setup. Explosive emissions of electrons in the rounded corner of SWSs together with the ionization of the gas layer close to it supply the breakdown plasma. The gas layer consists of water vapor and hydrogen gas and has a pressure of 1 Pa. Different kinds of circumstances of SWSs are simulated. We mainly concern about the characteristic of the plasma and its influence on microwave power. Comprehensive simulation results are obtained. The simulation results match the experimental results basically and are helpful in explaining the RF breakdown phenomenon physically.

Assessment of marine boundary layer cloud simulations in the CAM with CLUBB and updated microphysics scheme based on ARM observations from the Azores

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

Zheng, Xue; Klein, S. A.; Ma, H. -Y.

To assess marine boundary layer (MBL) cloud simulations in three versions of the Community Atmosphere Model (CAM), three sets of short-term global hindcasts are performed and compared to Atmospheric Radiation Measurement Program (ARM) observations on Graciosa Island in the Azores from June 2009 to December 2010. Here, the three versions consist of CAM5.3 with default schemes (CAM5.3), CAM5.3 with Cloud Layers Unified By Binormals (CLUBB-MG1), and CAM5.3 with CLUBB and updated microphysics scheme (CLUBB-MG2). Our results show that relative to CAM5.3 default schemes, simulations with CLUBB better represent MBL cloud base height, the height of the major cloud layer, andmore » the daily cloud cover variability. CLUBB also better simulates the relationship of cloud fraction to cloud liquid water path (LWP) most likely due to CLUBB's consistent treatment of these variables through a probability distribution function (PDF) approach. Subcloud evaporation of precipitation is substantially enhanced in simulations with CLUBB-MG2 and is more realistic based on the limited observational estimate. Despite these improvements, all model versions underestimate MBL cloud cover. CLUBB-MG2 reduces biases in in-cloud LWP (clouds are not too bright) but there are still too few of MBL clouds due to an underestimate in the frequency of overcast scenes. Thus, combining CLUBB with MG2 scheme better simulates MBL cloud processes, but because biases remain in MBL cloud cover CLUBB-MG2 does not improve the simulation of the surface shortwave cloud radiative effect (CRE SW).« less

Assessment of marine boundary layer cloud simulations in the CAM with CLUBB and updated microphysics scheme based on ARM observations from the Azores

DOE PAGES

Zheng, Xue; Klein, S. A.; Ma, H. -Y.; ...

2016-07-19

To assess marine boundary layer (MBL) cloud simulations in three versions of the Community Atmosphere Model (CAM), three sets of short-term global hindcasts are performed and compared to Atmospheric Radiation Measurement Program (ARM) observations on Graciosa Island in the Azores from June 2009 to December 2010. Here, the three versions consist of CAM5.3 with default schemes (CAM5.3), CAM5.3 with Cloud Layers Unified By Binormals (CLUBB-MG1), and CAM5.3 with CLUBB and updated microphysics scheme (CLUBB-MG2). Our results show that relative to CAM5.3 default schemes, simulations with CLUBB better represent MBL cloud base height, the height of the major cloud layer, andmore » the daily cloud cover variability. CLUBB also better simulates the relationship of cloud fraction to cloud liquid water path (LWP) most likely due to CLUBB's consistent treatment of these variables through a probability distribution function (PDF) approach. Subcloud evaporation of precipitation is substantially enhanced in simulations with CLUBB-MG2 and is more realistic based on the limited observational estimate. Despite these improvements, all model versions underestimate MBL cloud cover. CLUBB-MG2 reduces biases in in-cloud LWP (clouds are not too bright) but there are still too few of MBL clouds due to an underestimate in the frequency of overcast scenes. Thus, combining CLUBB with MG2 scheme better simulates MBL cloud processes, but because biases remain in MBL cloud cover CLUBB-MG2 does not improve the simulation of the surface shortwave cloud radiative effect (CRE SW).« less

Using a hybrid model to predict solute transfer from initially saturated soil into surface runoff with controlled drainage water.

PubMed

Tong, Juxiu; Hu, Bill X; Yang, Jinzhong; Zhu, Yan

2016-06-01

The mixing layer theory is not suitable for predicting solute transfer from initially saturated soil to surface runoff water under controlled drainage conditions. By coupling the mixing layer theory model with the numerical model Hydrus-1D, a hybrid solute transfer model has been proposed to predict soil solute transfer from an initially saturated soil into surface water, under controlled drainage water conditions. The model can also consider the increasing ponding water conditions on soil surface before surface runoff. The data of solute concentration in surface runoff and drainage water from a sand experiment is used as the reference experiment. The parameters for the water flow and solute transfer model and mixing layer depth under controlled drainage water condition are identified. Based on these identified parameters, the model is applied to another initially saturated sand experiment with constant and time-increasing mixing layer depth after surface runoff, under the controlled drainage water condition with lower drainage height at the bottom. The simulation results agree well with the observed data. Study results suggest that the hybrid model can accurately simulate the solute transfer from initially saturated soil into surface runoff under controlled drainage water condition. And it has been found that the prediction with increasing mixing layer depth is better than that with the constant one in the experiment with lower drainage condition. Since lower drainage condition and deeper ponded water depth result in later runoff start time, more solute sources in the mixing layer are needed for the surface water, and larger change rate results in the increasing mixing layer depth.

DIFFUSION IN THE VICINITY OF STANDARD-DESIGN NUCLEAR POWER PLANTS-I. WIND-TUNNEL EVALUATION OF DIFFUSIVE CHARACTERISTICS OF A SIMULATED SUBURBAN NEUTRAL ATMOSPHERIC BOUNDARY LAYER

EPA Science Inventory

A large meteorological wind tunnel was used to simulate a suburban atmospheric boundary layer. The model-prototype scale was 1:300 and the roughness length was approximately 1.0 m full scale. The model boundary layer simulated full scale dispersion from ground-level and elevated ...

Comparison of Commonly-Used Microwave Radiative Transfer Models for Snow Remote Sensing

NASA Technical Reports Server (NTRS)

Royer, Alain; Roy, Alexandre; Montpetit, Benoit; Saint-Jean-Rondeau, Olivier; Picard, Ghislain; Brucker, Ludovic; Langlois, Alexandre

2017-01-01

This paper reviews four commonly-used microwave radiative transfer models that take different electromagnetic approaches to simulate snow brightness temperature (T(sub B)): the Dense Media Radiative Transfer - Multi-Layer model (DMRT-ML), the Dense Media Radiative Transfer - Quasi-Crystalline Approximation Mie scattering of Sticky spheres (DMRT-QMS), the Helsinki University of Technology n-Layers model (HUT-nlayers) and the Microwave Emission Model of Layered Snowpacks (MEMLS). Using the same extensively measured physical snowpack properties, we compared the simulated T(sub B) at 11, 19 and 37 GHz from these four models. The analysis focuses on the impact of using different types of measured snow microstructure metrics in the simulations. In addition to density, snow microstructure is defined for each snow layer by grain optical diameter (Do) and stickiness for DMRT-ML and DMRT-QMS, mean grain geometrical maximum extent (D(sub max)) for HUT n-layers and the exponential correlation length for MEMLS. These metrics were derived from either in-situ measurements of snow specific surface area (SSA) or macrophotos of grain sizes (D(sub max)), assuming non-sticky spheres for the DMRT models. Simulated T(sub B) sensitivity analysis using the same inputs shows relatively consistent T(sub B) behavior as a function of Do and density variations for the vertical polarization (maximum deviation of 18 K and 27 K, respectively), while some divergences appear in simulated variations for the polarization ratio (PR). Comparisons with ground based radiometric measurements show that the simulations based on snow SSA measurements have to be scaled with a model-specific factor of Do in order to minimize the root mean square error (RMSE) between measured and simulated T(sub B). Results using in-situ grain size measurements (SSA or D(sub max), depending on the model) give a mean T(sub B) RMSE (19 and 37 GHz) of the order of 16-26 K, which is similar for all models when the snow microstructure metrics are scaled. However, the MEMLS model converges to better results when driven by the correlation length estimated from in-situ SSA measurements rather than D(sub max) measurements. On a practical level, this paper shows that the SSA parameter, a snow property that is easy to retrieve in-situ, appears to be the most relevant parameter for characterizing snow microstructure, despite the need for a scaling factor.

Modeling the Atmospheric Dynamics within and Above Vegetation Layers

Treesearch

Warren E. Heilman; John Zasada

2000-01-01

A critical component of any silvicultural treatment is the creation of suitable microclimatic conditions for desired plant and animal species. One of the most useful tools for examining the microclimatic implications of different vegetation treatments is the use of atmospheric boundary-layer models that can simulate resulting micrometeorological conditions within and...

The Effects of Blade Count on Boundary Layer Development in a Low-Pressure Turbine

NASA Technical Reports Server (NTRS)

Dorney, Daniel J.; Flitan, Horia C.; Ashpis, David E.; Solomon, William J.

2000-01-01

Experimental data from jet-engine tests have indicated that turbine efficiencies at takeoff can be as much as two points higher than those at cruise conditions. Recent studies have shown that Reynolds number effects contribute to the lower efficiencies at cruise conditions. In the current study numerical simulations have been performed to study the boundary layer development in a two-stage low-pressure turbine, and to evaluate the models available for low Reynolds number flows in turbomachinery. In a previous study using the same geometry the predicted time-averaged boundary layer quantities showed excellent agreement with the experimental data, but the predicted unsteady results showed only fair agreement with the experimental data. It was surmised that the blade count approximation used in the numerical simulations generated more unsteadiness than was observed in the experiments. In this study a more accurate blade approximation has been used to model the turbine, and the method of post-processing the boundary layer information has been modified to more closely resemble the process used in the experiments. The predicted results show improved agreement with the unsteady experimental data.

Large-eddy simulation of a spatially-evolving turbulent mixing layer

NASA Astrophysics Data System (ADS)

Capuano, Francesco; Catalano, Pietro; Mastellone, Andrea

2015-11-01

Large-eddy simulations of a spatially-evolving turbulent mixing layer have been performed. The flow conditions correspond to those of a documented experimental campaign (Delville, Appl. Sci. Res. 1994). The flow evolves downstream of a splitter plate separating two fully turbulent boundary layers, with Reθ = 2900 on the high-speed side and Reθ = 1200 on the low-speed side. The computational domain starts at the trailing edge of the splitter plate, where experimental mean velocity profiles are prescribed; white-noise perturbations are superimposed to mimic turbulent fluctuations. The fully compressible Navier-Stokes equations are solved by means of a finite-volume method implemented into the in-house code SPARK-LES. The results are mainly checked in terms of the streamwise evolution of the vorticity thickness and averaged velocity profiles. The combined effects of inflow perturbations, numerical accuracy and subgrid-scale model are discussed. It is found that excessive levels of dissipation may damp inlet fluctuations and delay the virtual origin of the turbulent mixing layer. On the other hand, non-dissipative, high-resolution computations provide results that are in much better agreement with experimental data.

Chip-scale pattern modification method for equalizing residual layer thickness in nanoimprint lithography

NASA Astrophysics Data System (ADS)

Youn, Sung-Won; Suzuki, Kenta; Hiroshima, Hiroshi

2018-06-01

A software program for modifying a mold design to obtain a uniform residual layer thickness (RLT) distribution has been developed and its validity was verified by UV-nanoimprint lithography (UV-NIL) simulation. First, the effects of granularity (G) on both residual layer uniformity and filling characteristics were characterized. For a constant complementary pattern depth and a granularity that was sufficiently larger than the minimum pattern width, filling time decreased with the decrease in granularity. For a pattern design with a wide density range and an irregular distribution, the choice of a small granularity was not always a good strategy since the etching depth required for a complementary pattern occasionally exceptionally increased with the decrease in granularity. On basis of the results obtained, the automated method was applied to a chip-scale pattern modification. Simulation results showed a marked improvement in residual layer thickness uniformity for a capacity-equalized (CE) mold. For the given conditions, the standard deviation of RLT decreased in the range from 1/3 to 1/5 in accordance with pattern designs.

An implemented method of asymmetric transmission for arbitrary polarization base in multi-layered chiral meta-surface

NASA Astrophysics Data System (ADS)

Xiao, Zhong-yin; Zou, Huan-ling; Xu, Kai-Kai; Tang, Jing-yao

2018-03-01

Asymmetric transmission of linearly or circularly polarized waves is a well-established property not only for three-layered chiral structures but for multi-layered ones. Here we show a method which can simultaneously implement asymmetric transmission for arbitrary base vector polarized wave in multi-layered chiral meta-surface. We systematically study the implemented method based on a multi-layered chiral structure consisting of a y-shape, a half gammadion and an S-shape in the terahertz gap. A numerical simulation was carried out, followed by an explanation of the asymmetric transmission mechanism in these structures proposed in this work. The simulated results indicate that the multi-layered chiral structure can realize a maximum asymmetric transmission of 0.89 and 0.28 for circularly and linearly polarized waves, respectively, which exhibit magnitude improvement over previous chiral metamaterials. Specifically, the maximum asymmetric transmitted coefficient of the multi-layered chiral structure is insensitivity to the incident angles from 0° to 45° for circularly polarized components. Additionally, we also study the influence of structural parameters on the asymmetric transmission effect for both linearly and circularly polarized waves in detail.

An investigation of methods for injecting emissions from boreal wildfires using WRF-Chem during ARCTAS

NASA Astrophysics Data System (ADS)

Sessions, W. R.; Fuelberg, H. E.; Kahn, R. A.; Winker, D. M.

2010-11-01

The Weather Research and Forecasting Model (WRF) is considered a "next generation" mesoscale meteorology model. The inclusion of a chemistry module (WRF-Chem) allows transport simulations of chemical and aerosol species such as those observed during NASA's Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) in 2008. The ARCTAS summer deployment phase during June and July coincided with large boreal wildfires in Saskatchewan and Eastern Russia. One of the most important aspects of simulating wildfire plume transport is the height at which emissions are injected. WRF-Chem contains an integrated one-dimensional plume rise model to determine the appropriate injection layer. The plume rise model accounts for thermal buoyancy associated with fires and the local atmospheric stability. This study compares results from the plume model against those of two more traditional injection methods: Injecting within the planetary boundary layer, and in a layer 3-5 km above ground level. Fire locations are satellite derived from the GOES Wildfire Automated Biomass Burning Algorithm (WF_ABBA) and the MODIS thermal hotspot detection. Two methods for preprocessing these fire data are compared: The prep_chem_sources method included with WRF-Chem, and the Naval Research Laboratory's Fire Locating and Monitoring of Burning Emissions (FLAMBE). Results from the simulations are compared with satellite-derived products from the AIRS, MISR and CALIOP sensors. Results show that the FLAMBE pre-processor produces more realistic injection heights than does prep_chem_sources. The plume rise model using FLAMBE provides the best agreement with satellite-observed injection heights. Conversely, when the planetary boundary layer or the 3-5 km AGL layer were filled with emissions, the resulting injection heights exhibit less agreement with observed plume heights. Results indicate that differences in injection heights produce different transport pathways. These differences are especially pronounced in areas of strong vertical wind shear and when the integration period is long.

Damage Analysis of Tensile Deformation of Co-rolled SMATed 304SS

NASA Astrophysics Data System (ADS)

Guo, X.; Leung, A. Y. T.; Chen, A.; Ruan, H.; Lu, J.

2010-05-01

One of recent experimental progresses in strengthening and toughening metals simultaneously is to adopt techniques of surface mechanical attrition treatment (SMAT) and warm co-rolling to 304 stainless steel (SS). To capture deformation behavior and associated damage initiation/evolution process in the co-rolled SMATed 304SS, cohesive finite element method (CFEM) is employed in this paper and simulation results are in agreement with experimental results. Both strengthening effect due to high yield stress of the nanograin layer and toughening effect due to non-localized damage in the nanograin layer are captured. Effect of energy release rate of nanograin layer on failure strain of layered co-rolled SMATed 304SS is investigated. It is found that the more brittle the nanograin layer is, the more potential necking sites in the nanograin layer are, and the more ductile the layered co-rolled SMATed 304SS is.

Modeling of Grain Size Distribution of Tsunami Sand Deposits in V-shaped Valley of Numanohama During the 2011 Tohoku Tsunami

NASA Astrophysics Data System (ADS)

Gusman, A. R.; Satake, K.; Goto, T.; Takahashi, T.

2016-12-01

Estimating tsunami amplitude from tsunami sand deposit has been a challenge. The grain size distribution of tsunami sand deposit may have correlation with tsunami inundation process, and further with its source characteristics. In order to test this hypothesis, we need a tsunami sediment transport model that can accurately estimate grain size distribution of tsunami deposit. Here, we built and validate a tsunami sediment transport model that can simulate grain size distribution. Our numerical model has three layers which are suspended load layer, active bed layer, and parent bed layer. The two bed layers contain information about the grain size distribution. This numerical model can handle a wide range of grain sizes from 0.063 (4 ϕ) to 5.657 mm (-2.5 ϕ). We apply the numerical model to simulate the sedimentation process during the 2011 Tohoku earthquake in Numanohama, Iwate prefecture, Japan. The grain size distributions at 15 sample points along a 900 m transect from the beach are used to validate the tsunami sediment transport model. The tsunami deposits are dominated by coarse sand with diameter of 0.5 - 1 mm and their thickness are up to 25 cm. Our tsunami model can well reproduce the observed tsunami run-ups that are ranged from 16 to 34 m along the steep valley in Numanohama. The shapes of the simulated grain size distributions at many sample points located within 300 m from the shoreline are similar to the observations. The differences between observed and simulated peak of grain size distributions are less than 1 ϕ. Our result also shows that the simulated sand thickness distribution along the transect is consistent with the observation.

Simulations of Cyclic Voltammetry for Electric Double Layers in Asymmetric Electrolytes: A Generalized Modified Poisson-Nernst-Planck Model

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

Wang, Hainan; Thiele, Alexander; Pilon, Laurent

2013-11-15

This paper presents a generalized modified Poisson–Nernst–Planck (MPNP) model derived from first principles based on excess chemical potential and Langmuir activity coefficient to simulate electric double-layer dynamics in asymmetric electrolytes. The model accounts simultaneously for (1) asymmetric electrolytes with (2) multiple ion species, (3) finite ion sizes, and (4) Stern and diffuse layers along with Ohmic potential drop in the electrode. It was used to simulate cyclic voltammetry (CV) measurements for binary asymmetric electrolytes. The results demonstrated that the current density increased significantly with decreasing ion diameter and/or increasing valency |z i| of either ion species. By contrast, the ionmore » diffusion coefficients affected the CV curves and capacitance only at large scan rates. Dimensional analysis was also performed, and 11 dimensionless numbers were identified to govern the CV measurements of the electric double layer in binary asymmetric electrolytes between two identical planar electrodes of finite thickness. A self-similar behavior was identified for the electric double-layer integral capacitance estimated from CV measurement simulations. Two regimes were identified by comparing the half cycle period τ CV and the “RC time scale” τ RC corresponding to the characteristic time of ions’ electrodiffusion. For τ RC ← τ CV, quasi-equilibrium conditions prevailed and the capacitance was diffusion-independent while for τ RC → τ CV, the capacitance was diffusion-limited. The effect of the electrode was captured by the dimensionless electrode electrical conductivity representing the ratio of characteristic times associated with charge transport in the electrolyte and that in the electrode. The model developed here will be useful for simulating and designing various practical electrochemical, colloidal, and biological systems for a wide range of applications.« less

Parametric studies to determine the effect of compliant layers on metal matrix composite systems

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.; Brown, H. C.

1990-01-01

Computational simulation studies are conducted to identify compliant layers to reduce matrix stresses which result from the coefficient of thermal expansion mismatch and the large temperature range over which the current metal matrix composites will be used. The present study includes variations of compliant layers and their properties to determine their influence on unidirectional composite and constituent response. Two simulation methods are used for these studies. The first approach is based on a three-dimensional linear finite element analysis of a 9 fiber unidirectional composite system. The second approach is a micromechanics based nonlinear computer code developed to determine the behavior of metal matrix composite system for thermal and mechanical loads. The results show that an effective compliant layer for the SCS 6 (SiC)/Ti-24Al-11Nb (Ti3Al + Nb) and SCS 6 (SiC)/Ti-15V-3Cr-3Sn-3Al (Ti-15-3) composite systems should have modulus 15 percent that of the matrix and a coefficient of thermal expansion of the compliant layer roughly equal to that of the composite system without the CL. The matrix stress in the longitudinal and the transverse tangent (loop) direction are tensile for the Ti3Al + Nb and Ti-15-3 composite systems upon cool down from fabrication. The fiber longitudinal stress is compressive from fabrication cool down. Addition of a recommended compliant layer will result in a reduction in the composite modulus.

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...

Detached Eddy Simulations of Hypersonic Transition

NASA Technical Reports Server (NTRS)

Yoon, S.; Barnhardt, M.; Candler, G.

2010-01-01

This slide presentation reviews the use of Detached Eddy Simulation (DES) of hypersonic transistion. The objective of the study was to investigate the feasibility of using CFD in general, DES in particular, for prediction of roughness-induced boundary layer transition to turbulence and the resulting increase in heat transfer.

Discrete particle modeling and micromechanical characterization of bilayer tablet compaction.

PubMed

Yohannes, B; Gonzalez, M; Abebe, A; Sprockel, O; Nikfar, F; Kiang, S; Cuitiño, A M

2017-08-30

A mechanistic particle scale model is proposed for bilayer tablet compaction. Making bilayer tablets involves the application of first layer compaction pressure on the first layer powder and a second layer compaction pressure on entire powder bed. The bonding formed between the first layer and the second layer particles is crucial for the mechanical strength of the bilayer tablet. The bonding and the contact forces between particles of the first layer and second layer are affected by the deformation and rearrangement of particles due to the compaction pressures. Our model takes into consideration the elastic and plastic deformations of the first layer particles due to the first layer compaction pressure, in addition to the mechanical and physical properties of the particles. Using this model, bilayer tablets with layers of the same material and different materials, which are commonly used pharmaceutical powders, are tested. The simulations show that the strength of the layer interface becomes weaker than the strength of the two layers as the first layer compaction pressure is increased. The reduction of strength at the layer interface is related to reduction of the first layer surface roughness. The reduced roughness decreases the available bonding area and hence reduces the mechanical strength at the interface. In addition, the simulations show that at higher first layer compaction pressure the bonding area is significantly less than the total contact area at the layer interface. At the interface itself, there is a non-monotonic relationship between the bonding area and first layer force. The bonding area at the interface first increases and then decreases as the first layer pressure is increased. These results are in agreement with findings of previous experimental studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Modelling the pelagic nitrogen cycle and vertical particle flux in the Norwegian sea

NASA Astrophysics Data System (ADS)

Haupt, Olaf J.; Wolf, Uli; v. Bodungen, Bodo

1999-02-01

A 1D Eulerian ecosystem model (BIological Ocean Model) for the Norwegian Sea was developed to investigate the dynamics of pelagic ecosystems. The BIOM combines six biochemical compartments and simulates the annual nitrogen cycle with specific focus on production, modification and sedimentation of particles in the water column. The external forcing and physical framework is based on a simulated annual cycle of global radiation and an annual mixed-layer cycle derived from field data. The vertical resolution of the model is given by an exponential grid with 200 depth layers, allowing specific parameterization of various sinking velocities, breakdown of particles and the remineralization processes. The aim of the numerical experiments is the simulation of ecosystem dynamics considering the specific biogeochemical properties of the Norwegian Sea, for example the life cycle of the dominant copepod Calanus finmarchicus. The results of the simulations were validated with field data. Model results are in good agreement with field data for the lower trophic levels of the food web. With increasing complexity of the organisms the differences increase between simulated processes and field data. Results of the numerical simulations suggest that BIOM is well adapted to investigate a physically controlled ecosystem. The simulation of grazing controlled pelagic ecosystems, like the Norwegian Sea, requires adaptations of parameterization to the specific ecosystem features. By using seasonally adaptation of the most sensible processes like utilization of light by phytoplankton and grazing by zooplankton results were greatly improved.

A method of groundwater quality assessment based on fuzzy network-CANFIS and geographic information system (GIS)

NASA Astrophysics Data System (ADS)

Gholami, V.; Khaleghi, M. R.; Sebghati, M.

2017-11-01

The process of water quality testing is money/time-consuming, quite important and difficult stage for routine measurements. Therefore, use of models has become commonplace in simulating water quality. In this study, the coactive neuro-fuzzy inference system (CANFIS) was used to simulate groundwater quality. Further, geographic information system (GIS) was used as the pre-processor and post-processor tool to demonstrate spatial variation of groundwater quality. All important factors were quantified and groundwater quality index (GWQI) was developed. The proposed model was trained and validated by taking a case study of Mazandaran Plain located in northern part of Iran. The factors affecting groundwater quality were the input variables for the simulation, whereas GWQI index was the output. The developed model was validated to simulate groundwater quality. Network validation was performed via comparison between the estimated and actual GWQI values. In GIS, the study area was separated to raster format in the pixel dimensions of 1 km and also by incorporation of input data layers of the Fuzzy Network-CANFIS model; the geo-referenced layers of the effective factors in groundwater quality were earned. Therefore, numeric values of each pixel with geographical coordinates were entered to the Fuzzy Network-CANFIS model and thus simulation of groundwater quality was accessed in the study area. Finally, the simulated GWQI indices using the Fuzzy Network-CANFIS model were entered into GIS, and hence groundwater quality map (raster layer) based on the results of the network simulation was earned. The study's results confirm the high efficiency of incorporation of neuro-fuzzy techniques and GIS. It is also worth noting that the general quality of the groundwater in the most studied plain is fairly low.

Multi-Layer Arctic Mixed-Phase Clouds Simulated by a Cloud-Resolving Model: Comparison with ARM Observations and Sensitivity Experiments

NASA Technical Reports Server (NTRS)

Luo, Yali; Xu, Kuan-Man; Morrison, Hugh; McFarquhar, Greg M.; Wang, Zhien; Zhang, Gong

2007-01-01

A cloud-resolving model (CRM) is used to simulate the multiple-layer mixed-phase stratiform (MPS) clouds that occurred during a three-and-a-half day subperiod of the Department of Energy-Atmospheric Radiation Measurement Program s Mixed-Phase Arctic Cloud Experiment (M-PACE). The CRM is implemented with an advanced two-moment microphysics scheme, a state-of-the-art radiative transfer scheme, and a complicated third-order turbulence closure. Concurrent meteorological, aerosol, and ice nucleus measurements are used to initialize the CRM. The CRM is prescribed by time-varying large-scale advective tendencies of temperature and moisture and surface turbulent fluxes of sensible and latent heat. The CRM reproduces the occurrences of the single- and double-layer MPS clouds as revealed by the M-PACE observations. However, the simulated first cloud layer is lower and the second cloud layer thicker compared to observations. The magnitude of the simulated liquid water path agrees with that observed, but its temporal variation is more pronounced than that observed. As in an earlier study of single-layer cloud, the CRM also captures the major characteristics in the vertical distributions and temporal variations of liquid water content (LWC), total ice water content (IWC), droplet number concentration and ice crystal number concentration (nis) as suggested by the aircraft observations. However, the simulated mean values differ significantly from the observed. The magnitude of nis is especially underestimated by one order of magnitude. Sensitivity experiments suggest that the lower cloud layer is closely related to the surface fluxes of sensible and latent heat; the upper cloud layer is probably initialized by the large-scale advective cooling/moistening and maintained through the strong longwave (LW) radiative cooling near the cloud top which enhances the dynamical circulation; artificially turning off all ice-phase microphysical processes results in an increase in LWP by a factor of 3 due to interactions between the excessive LW radiative cooling and extra cloud water; heating caused by phase change of hydrometeors could affect the LWC and cloud top height by partially canceling out the LW radiative cooling. It is further shown that the resolved dynamical circulation appears to contribute more greatly to the evolution of the MPS cloud layers than the parameterized subgrid-scale circulation.

Sensitivity of turbine-height wind speeds to parameters in planetary boundary-layer and surface-layer schemes in the weather research and forecasting model

DOE PAGES

Yang, Ben; Qian, Yun; Berg, Larry K.; ...

2016-07-21

We evaluate the sensitivity of simulated turbine-height wind speeds to 26 parameters within the Mellor–Yamada–Nakanishi–Niino (MYNN) planetary boundary-layer scheme and MM5 surface-layer scheme of the Weather Research and Forecasting model over an area of complex terrain. An efficient sampling algorithm and generalized linear model are used to explore the multiple-dimensional parameter space and quantify the parametric sensitivity of simulated turbine-height wind speeds. The results indicate that most of the variability in the ensemble simulations is due to parameters related to the dissipation of turbulent kinetic energy (TKE), Prandtl number, turbulent length scales, surface roughness, and the von Kármán constant. Themore » parameter associated with the TKE dissipation rate is found to be most important, and a larger dissipation rate produces larger hub-height wind speeds. A larger Prandtl number results in smaller nighttime wind speeds. Increasing surface roughness reduces the frequencies of both extremely weak and strong airflows, implying a reduction in the variability of wind speed. All of the above parameters significantly affect the vertical profiles of wind speed and the magnitude of wind shear. Lastly, the relative contributions of individual parameters are found to be dependent on both the terrain slope and atmospheric stability.« less

Sensitivity of turbine-height wind speeds to parameters in planetary boundary-layer and surface-layer schemes in the weather research and forecasting model

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

Yang, Ben; Qian, Yun; Berg, Larry K.

We evaluate the sensitivity of simulated turbine-height wind speeds to 26 parameters within the Mellor–Yamada–Nakanishi–Niino (MYNN) planetary boundary-layer scheme and MM5 surface-layer scheme of the Weather Research and Forecasting model over an area of complex terrain. An efficient sampling algorithm and generalized linear model are used to explore the multiple-dimensional parameter space and quantify the parametric sensitivity of simulated turbine-height wind speeds. The results indicate that most of the variability in the ensemble simulations is due to parameters related to the dissipation of turbulent kinetic energy (TKE), Prandtl number, turbulent length scales, surface roughness, and the von Kármán constant. Themore » parameter associated with the TKE dissipation rate is found to be most important, and a larger dissipation rate produces larger hub-height wind speeds. A larger Prandtl number results in smaller nighttime wind speeds. Increasing surface roughness reduces the frequencies of both extremely weak and strong airflows, implying a reduction in the variability of wind speed. All of the above parameters significantly affect the vertical profiles of wind speed and the magnitude of wind shear. Lastly, the relative contributions of individual parameters are found to be dependent on both the terrain slope and atmospheric stability.« less

Properties of a planar electric double layer under extreme conditions investigated by classical density functional theory and Monte Carlo simulations.

PubMed

Zhou, Shiqi; Lamperski, Stanisław; Zydorczak, Maria

2014-08-14

Monte Carlo (MC) simulation and classical density functional theory (DFT) results are reported for the structural and electrostatic properties of a planar electric double layer containing ions having highly asymmetric diameters or valencies under extreme concentration condition. In the applied DFT, for the excess free energy contribution due to the hard sphere repulsion, a recently elaborated extended form of the fundamental measure functional is used, and coupling of Coulombic and short range hard-sphere repulsion is described by a traditional second-order functional perturbation expansion approximation. Comparison between the MC and DFT results indicates that validity interval of the traditional DFT approximation expands to high ion valences running up to 3 and size asymmetry high up to diameter ratio of 4 whether the high valence ions or the large size ion are co- or counter-ions; and to a high bulk electrolyte concentration being close to the upper limit of the electrolyte mole concentration the MC simulation can deal with well. The DFT accuracy dependence on the ion parameters can be self-consistently explained using arguments of liquid state theory, and new EDL phenomena such as overscreening effect due to monovalent counter-ions, extreme layering effect of counter-ions, and appearance of a depletion layer with almost no counter- and co-ions are observed.

Numerical simulation and experimental study on farmland nitrogen loss to surface runoff in a raindrop driven process

NASA Astrophysics Data System (ADS)

Li, Jiayun; Tong, Juxiu; Xia, Chuanan; Hu, Bill X.; Zhu, Hao; Yang, Rui; Wei, Wenshuo

2017-06-01

It has been widely recognized that surface runoff from agricultural field is an important non-point pollution source, which however, the chemical transfer amount in the process is very difficult to be quantified in field since some variables and natural factors are hard to control, such as rainfall intensity, temperature, wind speeds and soil spatial heterogeneity, which may significantly affect the field experimental results. Therefore, a physically based nitrogen transport model was developed and tested with the so called semi-field experiments (i.e., artificial rainfall was used instead of natural rainfall, but other conditions were natural) in this paper. Our model integrated the raindrop driven process and diffusion effect with the simplified nitrogen chain reactions. In this model, chemicals in the soil surface layer, or the 'exchange layer', were transformed into the surface runoff layer due to raindrop impact. The raindrops also have a significant role on the diffusion process between the exchange layer and the underlying soil. The established mathematical model was solved numerically through the modified Hydrus-1d source code, and the model simulations agreed well with the experimental data. The modeling results indicate that the depth of the exchange layer and raindrop induced water transfer rate are two important parameters for the simulation results. Variation of the water transfer rate, er, can strongly influence the peak values of the NO-3-N and NH+4-N concentration breakthrough curves. The concentration of NO-3-N is more sensitive to the exchange layer depth, de, than NH+4-N. In general, the developed model well describes the nitrogen loss into surface runoff in a raindrop driven process. Since the raindrop splash erosion process may aggravate the loss of chemical fertilizer, choosing an appropriate fertilization time and application method is very important to prevent the pollution.

Active flow control of subsonic flow in an adverse pressure gradient using synthetic jets and passive micro flow control devices

NASA Astrophysics Data System (ADS)

Denn, Michael E.

Several recent studies have shown the advantages of active and/or passive flow control devices for boundary layer flow modification. Many current and future proposed air vehicles have very short or offset diffusers in order to save vehicle weight and create more optimal vehicle/engine integration. Such short coupled diffusers generally result in boundary layer separation and loss of pressure recovery which reduces engine performance and in some cases may cause engine stall. Deployment of flow control devices can alleviate this problem to a large extent; however, almost all active flow control devices have some energy penalty associated with their inclusion. One potential low penalty approach for enhancing the diffuser performance is to combine the passive flow control elements such as micro-ramps with active flow control devices such as synthetic jets to achieve higher control authority. The goal of this dissertation is twofold. The first objective is to assess the ability of CFD with URANS turbulence models to accurately capture the effects of the synthetic jets and micro-ramps on boundary layer flow. This is accomplished by performing numerical simulations replicating several experimental test cases conducted at Georgia Institute of Technology under the NASA funded Inlet Flow Control and Prediction Technologies Program, and comparing the simulation results with experimental data. The second objective is to run an expanded CFD matrix of numerical simulations by varying various geometric and other flow control parameters of micro-ramps and synthetic jets to determine how passive and active control devices interact with each other in increasing and/or decreasing the control authority and determine their influence on modification of boundary layer flow. The boundary layer shape factor is used as a figure of merit for determining the boundary layer flow quality/modification and its tendency towards separation. It is found by a large number of numerical experiments and the analysis of simulation data that a flow control device's influence on boundary layer quality is a function of three factors: (1) the strength of the longitudinal vortex emanating from the flow control device or devices, (2) the height of the vortex core above the surface and, when a synthetic jet is present, (3) the momentum added to the boundary layer flow.

Numerical Modeling of Active Flow Control in a Boundary Layer Ingesting Offset Inlet

NASA Technical Reports Server (NTRS)

Allan, Brian G.; Owens, Lewis R.; Berrier, Bobby L.

2004-01-01

This investigation evaluates the numerical prediction of flow distortion and pressure recovery for a boundary layer ingesting offset inlet with active flow control devices. The numerical simulations are computed using a Reynolds averaged Navier-Stokes code developed at NASA. The numerical results are validated by comparison to experimental wind tunnel tests conducted at NASA Langley Research Center at both low and high Mach numbers. Baseline comparisons showed good agreement between numerical and experimental results. Numerical simulations for the inlet with passive and active flow control also showed good agreement at low Mach numbers where experimental data has already been acquired. Numerical simulations of the inlet at high Mach numbers with flow control jets showed an improvement of the flow distortion. Studies on the location of the jet actuators, for the high Mach number case, were conducted to provide guidance for the design of a future experimental wind tunnel test.

Seeing High Velocity Clouds and Turbulent Mixing Layers in the Ultraviolet: Predictions from Hydrodynamic Simulations

NASA Astrophysics Data System (ADS)

Shelton, Robin L.

2018-06-01

High velocity clouds (HVCs) and turbulent mixing layers (TMLs) emit light across a wide range of wavelengths. In order to aid in the detection of their ultraviolet emission, we predict the UV emission line intensities emitted by C II, C III, C IV, N II, N III, N IV, N V, O III, O IV, O V, O VI, Si II, Si III, and Si IV in a variety of simulated HVCs and TMLs. These predictions are based on detailed hydrodynamic simulations made with the FLASH code and employing non-equilibrium ionization calculations for carbon, nitrogen, oxygen, and silicon. The results are compared with FUSE and SPEAR/FIMS observations and with predictions from other models of hot/cool interfaces. We also present methods for scaling the results so that they can be applied to more or less dense environments.

Mixing and overshooting in surface convection zones of DA white dwarfs: first results from ANTARES

NASA Astrophysics Data System (ADS)

Kupka, F.; Zaussinger, F.; Montgomery, M. H.

2018-03-01

We present results of a large, high-resolution 3D hydrodynamical simulation of the surface layers of a DA white dwarf (WD) with Teff = 11 800 K and log (g) = 8 using the ANTARES code, the widest and deepest such simulation to date. Our simulations are in good agreement with previous calculations in the Schwarzschild-unstable region and in the overshooting region immediately beneath it. Farther below, in the wave-dominated region, we find that the rms horizontal velocities decay with depth more rapidly than the vertical ones. Since mixing requires both vertical and horizontal displacements, this could have consequences for the size of the region that is well mixed by convection, if this trend is found to hold for deeper layers. We discuss how the size of the mixed region affects the calculated settling times and inferred steady-state accretion rates for WDs with metals observed in their atmospheres.

Numerical simulation of liquid-layer breakup on a moving wall due to an impinging jet

NASA Astrophysics Data System (ADS)

Yu, Taejong; Moon, Hojoon; You, Donghyun; Kim, Dokyun; Ovsyannikov, Andrey

2014-11-01

Jet wiping, which is a hydrodynamic method for controlling the liquid film thickness in coating processes, is constrained by a rather violent film instability called splashing. The instability is characterized by the ejection of droplets from the runback flow and results in an explosion of the film. The splashing phenomenon degrades the final coating quality. In the present research, a volume-of-fluid (VOF)-based method, which is developed at Cascade Technologies, is employed to simulate the air-liquid multiphase flow dynamics. The present numerical method is based on an unstructured-grid unsplit geometric VOF scheme and guarantees strict conservation of mass of two-phase flow, The simulation results are compared with experimental measurements such as the liquid-film thickness before and after the jet wiping, wall pressure and shear stress distributions. The trajectories of liquid droplets due to the fluid motion entrained by the gas-jet operation, are also qualitatively compared with experimental visualization. Physical phenomena observed during the liquid-layer breakup due to an impinging jet is characterized in order to develop ideas for controlling the liquid-layer instability and resulting splash generation and propagation. Supported by the Grant NRF-2012R1A1A2003699, the Brain Korea 21+ program, POSCO, and 2014 CTR Summer Program.

Meso-modeling of Carbon Fiber Composite for Crash Safety Analysis

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

Lin, Shih-Po; Chen, Yijung; Zeng, Danielle

2017-04-06

In the conventional approach, the material properties for crash safety simulations are typically obtained from standard coupon tests, where the test results only provide single layer material properties used in crash simulations. However, the lay-up effects for the failure behaviors of the real structure were not considered in numerical simulations. Hence, there was discrepancy between the crash simulations and experimental tests. Consequently, an intermediate stage is required for accurate predictions. Some component tests are required to correlate the material models in the intermediate stage. In this paper, a Mazda Tube under high-impact velocity is chosen as an example for themore » crash safety analysis. The tube consists of 24 layers of uni-directional (UD) carbon fiber composite materials, in which 4 layers are perpendicular to, while the other layers are parallel to the impact direction. An LS-DYNA meso-model was constructed with orthotropic material models counting for the single-layer material behaviors. Between layers, a node-based tie-break contact was used for modeling the delamination of the composite material. Since fiber directions are not single-oriented, the lay-up effects could be an important effect. From the first numerical trial, premature material failure occurred due to the use of material parameters obtained directly from the coupon tests. Some parametric studies were conducted to identify the cause of the numerical instability. The finding is that the material failure strength used in the numerical model needs to be enlarged to stabilize the numerical model. Some hypothesis was made to provide the foundation for enlarging the failure strength and the corresponding experiments will be conducted to validate the hypothesis.« less

Local-Area-Network Simulator

NASA Technical Reports Server (NTRS)

Gibson, Jim; Jordan, Joe; Grant, Terry

1990-01-01

Local Area Network Extensible Simulator (LANES) computer program provides method for simulating performance of high-speed local-area-network (LAN) technology. Developed as design and analysis software tool for networking computers on board proposed Space Station. Load, network, link, and physical layers of layered network architecture all modeled. Mathematically models according to different lower-layer protocols: Fiber Distributed Data Interface (FDDI) and Star*Bus. Written in FORTRAN 77.

Nanoporous Al sandwich foils using size effect of Al layer thickness during Cu/Al/Cu laminate rolling

NASA Astrophysics Data System (ADS)

Yu, Hailiang; Lu, Cheng; Tieu, A. Kiet; Li, Huijun; Godbole, Ajit; Kong, Charlie

2018-06-01

The roll bonding technique is one of the most widely used methods to produce metal laminate sheets. Such sheets offer interesting research opportunities for both scientists and engineers. In this paper, we report on an experimental investigation of the 'thickness effect' during laminate rolling for the first time. Using a four-high multifunction rolling mill, Cu/Al/Cu laminate sheets were fabricated with a range of thicknesses (16, 40, 70 and 130 μm) of the Al layer. The thickness of the Cu sheets was a constant 300 μm. After rolling, TEM images show good bonding quality between the Cu and Al layers. However, there are many nanoscale pores in the Al layer. The fraction of nanoscale pores in the Al layer increases with a reduction in the Al layer thickness. The finite element method was used to simulate the Cu/Al/Cu rolling process. The simulation results reveal the effect of the Al layer thickness on the deformation characteristics of the Cu/Al/Cu laminate. Finally, we propose that the size effect of the Al layer thickness during Cu/Al/Cu laminate rolling may offer a method to fabricate 'nanoporous' Al sandwich laminate foils. Such foils can be used in electromagnetic shielding of electrical devices and noisy shielding of building.

A multiscale approach to accelerate pore-scale simulation of porous electrodes

NASA Astrophysics Data System (ADS)

Zheng, Weibo; Kim, Seung Hyun

2017-04-01

A new method to accelerate pore-scale simulation of porous electrodes is presented. The method combines the macroscopic approach with pore-scale simulation by decomposing a physical quantity into macroscopic and local variations. The multiscale method is applied to the potential equation in pore-scale simulation of a Proton Exchange Membrane Fuel Cell (PEMFC) catalyst layer, and validated with the conventional approach for pore-scale simulation. Results show that the multiscale scheme substantially reduces the computational cost without sacrificing accuracy.

Kinetic Monte Carlo simulations of thermally activated magnetization reversal in dual-layer Exchange Coupled Composite recording media

NASA Astrophysics Data System (ADS)

Plumer, M. L.; Almudallal, A. M.; Mercer, J. I.; Whitehead, J. P.; Fal, T. J.

The kinetic Monte Carlo (KMC) method developed for thermally activated magnetic reversal processes in single-layer recording media has been extended to study dual-layer Exchange Coupled Composition (ECC) media used in current and next generations of disc drives. The attempt frequency is derived from the Langer formalism with the saddle point determined using a variant of Bellman Ford algorithm. Complication (such as stagnation) arising from coupled grains having metastable states are addressed. MH-hysteresis loops are calculated over a wide range of anisotropy ratios, sweep rates and inter-layer coupling parameter. Results are compared with standard micromagnetics at fast sweep rates and experimental results at slow sweep rates.

Measurement of thermal neutrons reflection coefficients for two-layer reflectors.

PubMed

Azimkhani, S; Zolfagharpour, F; Ziaie, F

2018-05-01

In this research, thermal neutrons albedo coefficients and relative number of excess counts have been measured experimentally for different thicknesses of two-layer reflectors by using 241 Am-Be neutron source (5.2Ci) and BF 3 detector. Our used reflectors consist of two-layer which are combinations of water, graphite, polyethylene, and lead materials. Experimental results reveal that thermal neutron reflection coefficients slightly increased by addition of the second layer. The maximum value of growth for thermal neutrons albedo is obtained for lead-polyethylene compound (0.72 ± 0.01). Also, there is suitable agreement between the experimental values and simulation results by using MCNPX code. Copyright © 2018 Elsevier Ltd. All rights reserved.

Radon-222 as a test of convective transport in a general circulation model

NASA Technical Reports Server (NTRS)

Jacob, Daniel J.; Prather, Michael J.

1990-01-01

A three-dimensional tracer model based on the Goddard Institude of Space Studies GCM is used to simulate the distribution of Rn-222 over North America to test the ability of the model to describe the transport of pollutants in the boundary layer and the exchange of mass between the boundary layer and the free troposphere. The model results are compared with surface observations from five sites in the U.S., showing that Rn-222 concentrations are primarily regulated by dry convection. The simulations show satisfactory agreement with observations although the model underpredicts observations at night and the simulated Rn-222 concentrations over the northeastern U.S. are too high in the spring and too low in the fall.

LES of Temporally Evolving Mixing Layers by Three High Order Schemes

NASA Astrophysics Data System (ADS)

Yee, H.; Sjögreen, B.; Hadjadj, A.

2011-10-01

The performance of three high order shock-capturing schemes is compared for large eddy simulations (LES) of temporally evolving mixing layers for different convective Mach number (Mc) ranging from the quasi-incompressible regime to highly compressible supersonic regime. The considered high order schemes are fifth-order WENO (WENO5), seventh-order WENO (WENO7), and the associated eighth-order central spatial base scheme with the dissipative portion of WENO7 as a nonlinear post-processing filter step (WENO7fi). This high order nonlinear filter method (Yee & Sjögreen 2009) is designed for accurate and efficient simulations of shock-free compressible turbulence, turbulence with shocklets and turbulence with strong shocks with minimum tuning of scheme parameters. The LES results by WENO7fi using the same scheme parameter agree well with experimental results of Barone et al. (2006), and published direct numerical simulations (DNS) by Rogers & Moser (1994) and Pantano & Sarkar (2002), whereas results by WENO5 and WENO7 compare poorly with experimental data and DNS computations.

Evaluation of urban surface parameterizations in the WRF model using measurements during the Texas Air Quality Study 2006 field campaign

NASA Astrophysics Data System (ADS)

Lee, S.-H.; Kim, S.-W.; Angevine, W. M.; Bianco, L.; McKeen, S. A.; Senff, C. J.; Trainer, M.; Tucker, S. C.; Zamora, R. J.

2011-03-01

The performance of different urban surface parameterizations in the WRF (Weather Research and Forecasting) in simulating urban boundary layer (UBL) was investigated using extensive measurements during the Texas Air Quality Study 2006 field campaign. The extensive field measurements collected on surface (meteorological, wind profiler, energy balance flux) sites, a research aircraft, and a research vessel characterized 3-dimensional atmospheric boundary layer structures over the Houston-Galveston Bay area, providing a unique opportunity for the evaluation of the physical parameterizations. The model simulations were performed over the Houston metropolitan area for a summertime period (12-17 August) using a bulk urban parameterization in the Noah land surface model (original LSM), a modified LSM, and a single-layer urban canopy model (UCM). The UCM simulation compared quite well with the observations over the Houston urban areas, reducing the systematic model biases in the original LSM simulation by 1-2 °C in near-surface air temperature and by 200-400 m in UBL height, on average. A more realistic turbulent (sensible and latent heat) energy partitioning contributed to the improvements in the UCM simulation. The original LSM significantly overestimated the sensible heat flux (~200 W m-2) over the urban areas, resulting in warmer and higher UBL. The modified LSM slightly reduced warm and high biases in near-surface air temperature (0.5-1 °C) and UBL height (~100 m) as a result of the effects of urban vegetation. The relatively strong thermal contrast between the Houston area and the water bodies (Galveston Bay and the Gulf of Mexico) in the LSM simulations enhanced the sea/bay breezes, but the model performance in predicting local wind fields was similar among the simulations in terms of statistical evaluations. These results suggest that a proper surface representation (e.g. urban vegetation, surface morphology) and explicit parameterizations of urban physical processes are required for accurate urban atmospheric numerical modeling.

Simulation and optimal control of wind-farm boundary layers

NASA Astrophysics Data System (ADS)

Meyers, Johan; Goit, Jay

2014-05-01

In large wind farms, the effect of turbine wakes, and their interaction leads to a reduction in farm efficiency, with power generated by turbines in a farm being lower than that of a lone-standing turbine by up to 50%. In very large wind farms or `deep arrays', this efficiency loss is related to interaction of the wind farms with the planetary boundary layer, leading to lower wind speeds at turbine level. Moreover, for these cases it has been demonstrated both in simulations and wind-tunnel experiments that the wind-farm energy extraction is dominated by the vertical turbulent transport of kinetic energy from higher regions in the boundary layer towards the turbine level. In the current study, we investigate the use of optimal control techniques combined with Large-Eddy Simulations (LES) of wind-farm boundary layer interaction for the increase of total energy extraction in very large `infinite' wind farms. We consider the individual wind turbines as flow actuators, whose energy extraction can be dynamically regulated in time so as to optimally influence the turbulent flow field, maximizing the wind farm power. For the simulation of wind-farm boundary layers we use large-eddy simulations in combination with actuator-disk and actuator-line representations of wind turbines. Simulations are performed in our in-house pseudo-spectral code SP-Wind that combines Fourier-spectral discretization in horizontal directions with a fourth-order finite-volume approach in the vertical direction. For the optimal control study, we consider the dynamic control of turbine-thrust coefficients in an actuator-disk model. They represent the effect of turbine blades that can actively pitch in time, changing the lift- and drag coefficients of the turbine blades. Optimal model-predictive control (or optimal receding horizon control) is used, where the model simply consists of the full LES equations, and the time horizon is approximately 280 seconds. The optimization is performed using a nonlinear conjugate gradient method, and the gradients are calculated by solving the adjoint LES equations. We find that the extracted farm power increases by approximately 20% when using optimal model-predictive control. However, the increased power output is also responsible for an increase in turbulent dissipation, and a deceleration of the boundary layer. Further investigating the energy balances in the boundary layer, it is observed that this deceleration is mainly occurring in the outer layer as a result of higher turbulent energy fluxes towards the turbines. In a second optimization case, we penalize boundary-layer deceleration, and find an increase of energy extraction of approximately 10%. In this case, increased energy extraction is balanced by a reduction in of turbulent dissipation in the boundary layer. J.M. acknowledges support from the European Research Council (FP7-Ideas, grant no. 306471). Simulations were performed on the computing infrastructure of the VSC Flemish Supercomputer Center, funded by the Hercules Foundation and the Flemish Government.

A wind energy benchmark for ABL modelling of a diurnal cycle with a nocturnal low-level jet: GABLS3 revisited

DOE PAGES

Rodrigo, J. Sanz; Churchfield, M.; Kosović, B.

2016-10-03

The third GEWEX Atmospheric Boundary Layer Studies (GABLS3) model intercomparison study, around the Cabauw met tower in the Netherlands, is revisited as a benchmark for wind energy atmospheric boundary layer (ABL) models. The case was originally developed by the boundary layer meteorology community, interested in analysing the performance of single-column and large-eddy simulation atmospheric models dealing with a diurnal cycle leading to the development of a nocturnal low-level jet. The case addresses fundamental questions related to the definition of the large-scale forcing, the interaction of the ABL with the surface and the evaluation of model results with observations. The characterizationmore » of mesoscale forcing for asynchronous microscale modelling of the ABL is discussed based on momentum budget analysis of WRF simulations. Then a single-column model is used to demonstrate the added value of incorporating different forcing mechanisms in microscale models. The simulations are evaluated in terms of wind energy quantities of interest.« less

Asymmetric vibration in a two-layer vocal fold model with left-right stiffness asymmetry: Experiment and simulation

PubMed Central

Zhang, Zhaoyan; Hieu Luu, Trung

2012-01-01

Vibration characteristics of a self-oscillating two-layer vocal fold model with left-right asymmetry in body-layer stiffness were experimentally and numerically investigated. Two regimes of distinct vibratory pattern were identified as a function of left-right stiffness mismatch. In the first regime with extremely large left-right stiffness mismatch, phonation onset resulted from an eigenmode synchronization process that involved only eigenmodes of the soft fold. Vocal fold vibration in this regime was dominated by a large-amplitude vibration of the soft fold, and phonation frequency was determined by the properties of the soft fold alone. The stiff fold was only enslaved to vibrate at a much reduced amplitude. In the second regime with small left-right stiffness mismatch, eigenmodes of both folds actively participated in the eigenmode synchronization process. The two folds vibrated with comparable amplitude, but the stiff fold consistently led the soft fold in phase for all conditions. A qualitatively good agreement was obtained between experiment and simulation, although the simulations generally underestimated phonation threshold pressure and onset frequency. The clinical implications of the results of this study are also discussed. PMID:22978891

Asymmetric vibration in a two-layer vocal fold model with left-right stiffness asymmetry: experiment and simulation.

PubMed

Zhang, Zhaoyan; Luu, Trung Hieu

2012-09-01

Vibration characteristics of a self-oscillating two-layer vocal fold model with left-right asymmetry in body-layer stiffness were experimentally and numerically investigated. Two regimes of distinct vibratory pattern were identified as a function of left-right stiffness mismatch. In the first regime with extremely large left-right stiffness mismatch, phonation onset resulted from an eigenmode synchronization process that involved only eigenmodes of the soft fold. Vocal fold vibration in this regime was dominated by a large-amplitude vibration of the soft fold, and phonation frequency was determined by the properties of the soft fold alone. The stiff fold was only enslaved to vibrate at a much reduced amplitude. In the second regime with small left-right stiffness mismatch, eigenmodes of both folds actively participated in the eigenmode synchronization process. The two folds vibrated with comparable amplitude, but the stiff fold consistently led the soft fold in phase for all conditions. A qualitatively good agreement was obtained between experiment and simulation, although the simulations generally underestimated phonation threshold pressure and onset frequency. The clinical implications of the results of this study are also discussed.

Application of Deep Learning to Detect Precursors of Tropical Cyclone

NASA Astrophysics Data System (ADS)

Matsuoka, D.; Nakano, M.; Sugiyama, D.; Uchida, S.

2017-12-01

Tropical cyclones (TCs) affect significant damage to human society. Predicting TC generation as soon as possible is important issue in both academic and social perspectives. In the present work, we investigate the probability of predicting TCs seven days prior using deep neural networks. The training data is produced from 30-year cloud resolving global atmospheric simulation (NICAM) with 14 km horizontal resolution (Kodama et al., 2015). We employed a TCs tracking algorithm (Sugi et al., 2002; Nakano et al., 2015) to NICAM simulation data in order to generate supervised cloud images (horizontal sizes are 800-1,000km). We generate approximately one million images of "TCs (include their precursors)" and "not TCs (low pressure clouds)". We generate ten types of image classifier based on 2-dimensional convolutional neural network, includes four convolutional layers, three pooling layers and two fully connected layers. The final predicted results are obtained by these ensemble mean values. Generated classifiers are applied to untrained global simulation data (four million test images). As a result, we succeeded in predicting the precursors of TCs seven and five days before their formation with a Recall of 88.6% and 89.6% (Precision is 11.4%), respectively.

Large eddy simulation of trailing edge noise

NASA Astrophysics Data System (ADS)

Keller, Jacob; Nitzkorski, Zane; Mahesh, Krishnan

2015-11-01

Noise generation is an important engineering constraint to many marine vehicles. A significant portion of the noise comes from propellers and rotors, specifically due to flow interactions at the trailing edge. Large eddy simulation is used to investigate the noise produced by a turbulent 45 degree beveled trailing edge and a NACA 0012 airfoil. A porous surface Ffowcs-Williams and Hawkings acoustic analogy is combined with a dynamic endcapping method to compute the sound. This methodology allows for the impact of incident flow noise versus the total noise to be assessed. LES results for the 45 degree beveled trailing edge are compared to experiment at M = 0 . 1 and Rec = 1 . 9 e 6 . The effect of boundary layer thickness on sound production is investigated by computing using both the experimental boundary layer thickness and a thinner boundary layer. Direct numerical simulation results of the NACA 0012 are compared to available data at M = 0 . 4 and Rec = 5 . 0 e 4 for both the hydrodynamic field and the acoustic field. Sound intensities and directivities are investigated and compared. Finally, some of the physical mechanisms of far-field noise generation, common to the two configurations, are discussed. Supported by Office of Naval research.

3D Realistic Radiative Hydrodynamic Modeling of a Moderate-Mass Star: Effects of Rotation

NASA Astrophysics Data System (ADS)

Kitiashvili, Irina; Kosovichev, Alexander G.; Mansour, Nagi N.; Wray, Alan A.

2018-01-01

Recent progress in stellar observations opens new perspectives in understanding stellar evolution and structure. However, complex interactions in the turbulent radiating plasma together with effects of magnetic fields and rotation make inferences of stellar properties uncertain. The standard 1D mixing-length-based evolutionary models are not able to capture many physical processes of stellar interior dynamics, but they provide an initial approximation of the stellar structure that can be used to initialize 3D time-dependent radiative hydrodynamics simulations, based on first physical principles, that take into account the effects of turbulence, radiation, and others. In this presentation we will show simulation results from a 3D realistic modeling of an F-type main-sequence star with mass 1.47 Msun, in which the computational domain includes the upper layers of the radiation zone, the entire convection zone, and the photosphere. The simulation results provide new insight into the formation and properties of the convective overshoot region, the dynamics of the near-surface, highly turbulent layer, the structure and dynamics of granulation, and the excitation of acoustic and gravity oscillations. We will discuss the thermodynamic structure, oscillations, and effects of rotation on the dynamics of the star across these layers.

Density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.; Sechrist, C. F., Jr.

1980-01-01

Lidar observations of the mesospheric sodium layer often reveal wavelike features moving through the layer. It is often assumed that these features are a layer density response to gravity waves. Chiu and Ching (1978) described the approximate form of the linear response of atmospheric layers to gravity waves. In this paper, their results are used to predict the response of the sodium layer to gravity waves. These simulations are compared with experimental observations and a good correlation is found between the two. Because of the thickness of the sodium layer and the density gradients found in it, a linear model of the layer response is not always adequate to describe gravity wave-sodium layer interactions. Inclusion of nonlinearities in the layer response is briefly discussed. Experimental data is seen to contain features consistent with the predicted nonlinearities.

Simulation of aerosol flow interaction with a solid body on molecular level

NASA Astrophysics Data System (ADS)

Amelyushkin, Ivan A.; Stasenko, Albert L.

2018-05-01

Physico-mathematical models and numerical algorithm of two-phase flow interaction with a solid body are developed. Results of droplet motion and its impingement upon a rough surface in real gas boundary layer simulation on the molecular level obtained via molecular dynamics technique are presented.

Simulation and validation of concentrated subsurface lateral flow paths in an agricultural landscape

NASA Astrophysics Data System (ADS)

Zhu, Q.; Lin, H. S.

2009-08-01

The importance of soil water flow paths to the transport of nutrients and contaminants has long been recognized. However, effective means of detecting concentrated subsurface flow paths in a large landscape are still lacking. The flow direction and accumulation algorithm based on single-direction flow algorithm (D8) in GIS hydrologic modeling is a cost-effective way to simulate potential concentrated flow paths over a large area once relevant data are collected. This study tested the D8 algorithm for simulating concentrated lateral flow paths at three interfaces in soil profiles in a 19.5-ha agricultural landscape in central Pennsylvania, USA. These interfaces were (1) the interface between surface plowed layers of Ap1 and Ap2 horizons, (2) the interface with subsoil water-restricting clay layer where clay content increased to over 40%, and (3) the soil-bedrock interface. The simulated flow paths were validated through soil hydrologic monitoring, geophysical surveys, and observable soil morphological features. The results confirmed that concentrated subsurface lateral flow occurred at the interfaces with the clay layer and the underlying bedrock. At these two interfaces, the soils on the simulated flow paths were closer to saturation and showed more temporally unstable moisture dynamics than those off the simulated flow paths. Apparent electrical conductivity in the soil on the simulated flow paths was elevated and temporally unstable as compared to those outside the simulated paths. The soil cores collected from the simulated flow paths showed significantly higher Mn content at these interfaces than those away from the simulated paths. These results suggest that (1) the D8 algorithm is useful in simulating possible concentrated subsurface lateral flow paths if used with appropriate threshold value of contributing area and sufficiently detailed digital elevation model (DEM); (2) repeated electromagnetic surveys can reflect the temporal change of soil water storage and thus is a useful indicator of possible subsurface flow path over a large area; and (3) observable Mn distribution in soil profiles can be used as a simple indicator of water flow paths in soils and over the landscape; however, it does require sufficient soil sampling (by excavation or augering) to possibly infer landscape-scale subsurface flow paths. In areas where subsurface interface topography varies similarly with surface topography, surface DEM can be used to simulate potential subsurface lateral flow path reasonably so the cost associated with obtaining depth to subsurface water-restricting layer can be minimized.

Influence of boundary on the effect of double-layer polarization and the electrophoretic behavior of soft biocolloids.

PubMed

Yeh, Li-Hsien; Fang, Kuo-Ying; Hsu, Jyh-Ping; Tseng, Shiojenn

2011-12-01

The electrophoresis of a soft particle comprising a rigid core and a charged porous membrane layer in a narrow space is modeled. This simulates, for example, the capillary electrophoresis of biocolloids such as cells and microorganisms, and biosensor types of device. We show that, in addition to the boundary effect, the effects of double-layer polarization (DLP) and the electroosmotic retardation flow can be significant, yielding interesting electrophoretic behaviors. For example, if the friction coefficient of the membrane layer and/or the boundary is large, then the DLP effect can be offset by the electroosmotic retardation flow, making the particle mobility to decrease with increasing double layer thickness, which is qualitatively consistent with many experimental observations in the literature, but has not been explained clearly in previous analyses. In addition, depending upon the thickness of double layer, the friction of the membrane layer of a particle can either retard or accelerate its movement, an interesting result which has not been reported previously. This work is the first attempt to show solid evidence for the influence of a boundary on the effect of DLP and the electrophoretic behavior of soft particles. The model proposed is verified by the experimental data in the literature. The results of numerical simulation provide valuable information for the design of bio-analytical apparatus such as nanopore-based sensing applications and for the interpretation of relevant experimental data. Copyright © 2011 Elsevier B.V. All rights reserved.

The Kinematics of Turbulent Boundary Layer Structure

NASA Technical Reports Server (NTRS)

Robinson, Stephen Kern

1991-01-01

The long history of research into the internal structure of turbulent boundary layers has not provided a unified picture of the physics responsible for turbulence production and dissipation. The goals of the present research are to: (1) define the current state of boundary layer structure knowledge; and (2) utilize direct numerical simulation results to help close the unresolved issues identified in part A and to unify the fragmented knowledge of various coherent motions into a consistent kinematic model of boundary layer structure. The results of the current study show that all classes of coherent motion in the low Reynolds number turbulent boundary layer may be related to vortical structures, but that no single form of vortex is representative of the wide variety of vortical structures observed. In particular, ejection and sweep motions, as well as entrainment from the free-streem are shown to have strong spatial and temporal relationships with vortical structures. Disturbances of vortex size, location, and intensity show that quasi-streamwise vortices dominate the buffer region, while transverse vortices and vortical arches dominate the wake region. Both types of vortical structure are common in the log region. The interrelationships between the various structures and the population distributions of vortices are combined into a conceptual kinematic model for the boundary layer. Aspects of vortical structure dynamics are also postulated, based on time-sequence animations of the numerically simulated flow.

Local Characteristics of the Nocturnal Boundary Layer in Response to External Pressure Forcing

NASA Astrophysics Data System (ADS)

van der Linden, Steven; Baas, Peter; van Hooft, Antoon; van Hooijdonk, Ivo; Bosveld, Fred; van de Wiel, Bas

2017-04-01

Geostrophic wind speed data, derived from pressure observations, are used in combination with tower measurements to investigate the nocturnal stable boundary layer at Cabauw, The Netherlands. Since the geostrophic wind speed is not directly influenced by local nocturnal stability, it may be regarded as an external forcing parameter of the nocturnal stable boundary layer. This is in contrast to local parameters such as in situ wind speed, the Monin-Obukhov stability parameter (z/L) or the local Richardson number. To characterize the stable boundary layer, ensemble averages of clear-sky nights with similar geostrophic wind speed are formed. In this manner, the mean dynamical behavior of near-surface turbulent characteristics, and composite profiles of wind and temperature is systematically investigated. We find that the classification results in a gradual ordering of the diagnosed variables in terms of the geostrophic wind speed. In an ensemble sense the transition from the weakly stable to very stable boundary layer is more gradual than expected. Interestingly, for very weak geostrophic winds turbulent activity is found to be negligibly small while the resulting boundary cooling stays finite. Realistic numerical simulations for those cases should therefore have a a solid description of other thermodynamic processes such as soil heat conduction and radiative transfer. This prerequisite poses a challenge for Large-Eddy Simulations of weak wind nocturnal boundary layers.

Snow Physics and Meltwater Hydrology of the SSiB Model Employed for Climate Simulation Studies with GEOS 2 GCM

NASA Technical Reports Server (NTRS)

Mocko, David M.; Sud, Y. C.; Einaudi, Franco (Technical Monitor)

2000-01-01

Present-day climate models produce large climate drifts that interfere with the climate signals simulated in modelling studies. The simplifying assumptions of the physical parameterization of snow and ice processes lead to large biases in the annual cycles of surface temperature, evapotranspiration, and the water budget, which in turn causes erroneous land-atmosphere interactions. Since land processes are vital for climate prediction, and snow and snowmelt processes have been shown to affect Indian monsoons and North American rainfall and hydrology, special attention is now being given to cold land processes and their influence on the simulated annual cycle in GCMs. The snow model of the SSiB land-surface model being used at Goddard has evolved from a unified single snow-soil layer interacting with a deep soil layer through a force-restore procedure to a two-layer snow model atop a ground layer separated by a snow-ground interface. When the snow cover is deep, force-restore occurs within the snow layers. However, several other simplifying assumptions such as homogeneous snow cover, an empirical depth related surface albedo, snowmelt and melt-freeze in the diurnal cycles, and neglect of latent heat of soil freezing and thawing still remain as nagging problems. Several important influences of these assumptions will be discussed with the goal of improving them to better simulate the snowmelt and meltwater hydrology. Nevertheless, the current snow model (Mocko and Sud, 2000, submitted) better simulates cold land processes as compared to the original SSiB. This was confirmed against observations of soil moisture, runoff, and snow cover in global GSWP (Sud and Mocko, 1999) and point-scale Valdai simulations over seasonal snow regions. New results from the current snow model SSiB from the 10-year PILPS 2e intercomparison in northern Scandinavia will be presented.

Simulation of reflectometry Bragg backscattering spectral responses in the absence of a cutoff layer.

PubMed

da Silva, F; da Graça, S; Heuraux, S; Conway, G D

2010-10-01

Experimental reflectometry signals obtained in the absence of a cutoff layer, with the possibility of interferometric operation excluded, show a coherent and recurrent frequency spectrum signature similar to an Alfvén cascade signature. A possible explanation resides in the modulation of a resonant Bragg backscattering response by an Alfvén mode structure located at the center of the plasma whose frequency of oscillation modulates the backscattered signal in a conformable way. This situation is modeled and simulated using an O-mode full-wave Maxwell finite-difference time-domain code and the resulting signatures are discussed.

Performance of Renormalization Group Algebraic Turbulence Model on Boundary Layer Transition Simulation

NASA Technical Reports Server (NTRS)

Ahn, Kyung H.

1994-01-01

The RNG-based algebraic turbulence model, with a new method of solving the cubic equation and applying new length scales, is introduced. An analysis is made of the RNG length scale which was previously reported and the resulting eddy viscosity is compared with those from other algebraic turbulence models. Subsequently, a new length scale is introduced which actually uses the two previous RNG length scales in a systematic way to improve the model performance. The performance of the present RNG model is demonstrated by simulating the boundary layer flow over a flat plate and the flow over an airfoil.

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.

Effect of metal shielding on a wireless power transfer system

NASA Astrophysics Data System (ADS)

Li, Jiacheng; Huang, Xueliang; Chen, Chen; Tan, Linlin; Wang, Wei; Guo, Jinpeng

2017-05-01

In this paper, the effect of non-ferromagnetic metal shielding (NFMS) material on the resonator of wireless power transfer (WPT) is studied by modeling, simulation and experimental analysis. And, the effect of NFMS material on the power transfer efficiency (PTE) of WPT systems is investigated by circuit model. Meanwhile, the effect of ferromagnetic metal shielding material on the PTE of WPT systems is analyzed through simulation. A double layer metal shield structure is designed. Experimental results demonstrate that by applying the novel double layer metal shielding method, the system PTE increases significantly while the electromagnetic field of WPT systems declines dramatically.

Effects of sea water on elongated duration of ground motion as well as variation in its amplitude for offshore earthquakes

NASA Astrophysics Data System (ADS)

Todoriki, Masaru; Furumura, Takashi; Maeda, Takuto

2017-01-01

We investigated the effects of sea water on the propagation of seismic waves using a 3-D finite-difference-method simulation of seismic wave propagation following offshore earthquakes. When using a 1-D layered structure, the simulation results showed strong S- to P-wave conversion at the sea bottom; accordingly, S-wave energy was dramatically decreased by the sea water layer. This sea water de-amplification effect had strong frequency dependence, therefore resembling a low-pass filter in which the cut-off frequency and damping coefficients were defined by the thickness of the sea water layer. The sea water also acted to elongate the duration of Rayleigh wave packet. The importance of the sea water layer in modelling offshore earthquakes was further demonstrated by a simulation using a realistic 3-D velocity structure model with and without sea water for a shallow (h = 14 km) outer-rise Nankai Trough event, the 2004 SE Off Kii Peninsula earthquake (Mw = 7.2). Synthetic seismograms generated by the model when sea water was included were in accordance with observed seismograms for long-term longer period motions, particularly those in the shape of Rayleigh waves.

Cryogenic THD and DT layer implosions with high density carbon ablators in near-vacuum hohlraums

DOE PAGES

Meezan, N. B.; Berzak Hopkins, L. F.; Le Pape, S.; ...

2015-06-02

High Density Carbon (HDC or diamond) is a promising ablator material for use in near-vacuum hohlraums, as its high density allows for ignition designs with laser pulse durations of <10 ns. A series of Inertial Confinement Fusion (ICF) experiments in 2013 on the National Ignition Facility [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)] culminated in a DT layered implosion driven by a 6.8 ns, 2-shock laser pulse. This paper describes these experiments and comparisons with ICF design code simulations. Backlit radiography of a THD layered capsule demonstrated an ablator implosion velocity of 385 km/s with a slightlymore » oblate hot spot shape. Other diagnostics suggested an asymmetric compressed fuel layer. A streak camera-based hot spot self-emission diagnostic (SPIDER) showed a double-peaked history of the capsule self-emission. Simulations suggest that this is a signature of low quality hot spot formation. Changes to the laser pulse and pointing for a subsequent DT implosion resulted in a higher temperature, prolate hot spot and a thermonuclear yield of 1.8 x 10¹⁵ neutrons, 40% of the 1D simulated yield.« less

Gasdynamic simulations of the solar wind interaction with Venus - Boundary layer formation

NASA Astrophysics Data System (ADS)

McGary, J. E.

1993-05-01

A 2D gasdynamic simulation of the mass-loaded solar wind flow around the dayside of Venus is presented. For average ionopause conditions near 300 km, the simulations show that mass loading from the pickup of oxygen ions produces a boundary layer of finite thickness along the ionopause. Within this layer and toward the ionopause, the temperature decreases and the total mass density increases significantly. Furthermore, there is a shear in the bulk flow velocity across the boundary layer, such that the tangential flow decreases in speed as the ionopause is approached and remains low along the ionopause which is consistent with Pioneer Venus observations. Numerical simulations are carried out for various mass addition rates and demonstrate that the boundary layer develops when oxygen ion production exceeds approximately 2 x 10 exp 5/cu m per s.

Modeling the surface of Campylobacter fetus: protein surface layer stability and resistance to cationic antimicrobial peptides.

PubMed

Roberts, James M D; Graham, Lori L; Quinn, Bonnie; Pink, David A

2013-03-01

Campylobacter fetus is a Gram negative bacterium recognized for its virulence in animals and humans. This bacterium possesses a paracrystalline array of high molecular weight proteins known as surface-layer proteins covering its cell surface. A mathematical model has been made of the outer membrane of this bacterium, both with its surface-layer proteins (S+) and without (S-). Monte Carlo computer simulation was used to understand the stability of the surface-layer protein structure as a function of ionic concentration. The interactions of an electrically-charged antimicrobial agent, the cationic antimicrobial peptide protamine, with surface-layer proteins and with the lipopolysaccharides of the outer membrane were modeled and analyzed. We found that (1) divalent ions stabilize the surface-layer protein array by reducing the fluctuations perpendicular and parallel to the membrane plane thereby promoting adhesion to the LPS region. This was achieved via (2) divalent ions bridging the negatively-charged LPS Core. The effect of this bridging is to bring individual Core regions closer together so that the O-antigens can (3) increase their attractive van der Waals interactions and "collapse" to form a surface with reduced perpendicular fluctuations. These findings provide support for the proposal of Yang et al. [1]. (4) No evidence for a significant increase in Ca(2+) concentration in the region of the surface-layer protein subunits was observed in S+ simulations compared to S- simulations. (5) We predicted the trends of protamine MIC tests performed on C. fetus and these were in good agreement with our experimental results. Copyright © 2012 Elsevier B.V. All rights reserved.

Virtual synthesis of crystals using ab initio MD: Case study on LiFePO4

NASA Astrophysics Data System (ADS)

Mishra, S. B.; Nanda, B. R. K.

2017-05-01

Molecular dynamics simulation technique is fairly successful in studying the structural aspects and dynamics of fluids. Here we study the ability of ab initio molecular dynamics (ab initio MD) to carry out virtual experiments to synthesize new crystalline materials and to predict their structures. For this purpose the olivine phosphate LiFePO4 (LFPO) is used as an example. As transition metal oxides in general are stabilized with layered geometry, we carried out ab initio MD simulations over a hypothetical layered configuration consisting of alternate LiPO2 and FeO2 layers. With intermittent steps of electron minimization, the resulted equilibrium lattice consist of PO4 tetrahedra and distorted Fe-O complexes similar to the one observed in the experimental lattice.

Turbulence and pollutant transport in urban street canyons under stable stratification: a large-eddy simulation

NASA Astrophysics Data System (ADS)

Li, X.

2014-12-01

Thermal stratification of the atmospheric surface layer has strong impact on the land-atmosphere exchange of turbulent, heat, and pollutant fluxes. Few studies have been carried out for the interaction of the weakly to moderately stable stratified atmosphere and the urban canopy. This study performs a large-eddy simulation of a modeled street canyon within a weakly to moderately stable atmosphere boundary layer. To better resolve the smaller eddy size resulted from the stable stratification, a higher spatial and temporal resolution is used. The detailed flow structure and turbulence inside the street canyon are analyzed. The relationship of pollutant dispersion and Richardson number of the atmosphere is investigated. Differences between these characteristics and those under neutral and unstable atmosphere boundary layer are emphasized.

Influence of mill scale and rust layer on the corrosion resistance of low-alloy steel in simulated concrete pore solution

NASA Astrophysics Data System (ADS)

Shi, Jin-jie; Ming, Jing

2017-01-01

Electrochemical impedance spectroscopy, cyclic potentiodynamic polarization measurements, and scanning electron microscopy in conjunction with energy-dispersive X-ray spectroscopy were used to investigate the influence of mill scale and rust layer on the passivation capability and chloride-induced corrosion behaviors of conventional low-carbon (LC) steel and low-alloy (LA) steel in simulated concrete pore solution. The results show that mill scale exerts different influences on the corrosion resistance of both steels at various electrochemical stages. We propose that the high long-term corrosion resistance of LA steel is mainly achieved through the synergistic effect of a gradually formed compact, adherent and well-distributed Cr-enriched inner rust layer and the physical barrier protection effect of mill scale.

Sensitivity of simulated englacial isochrones to uncertain subglacial boundary conditions in central West Antarctica: Implications for detecting changes in ice dynamics

NASA Astrophysics Data System (ADS)

Muldoon, Gail; Jackson, Charles S.; Young, Duncan A.; Quartini, Enrica; Cavitte, Marie G. P.; Blankenship, Donald D.

2017-04-01

Information about the extent and dynamics of the West Antarctic Ice Sheet during past glaciations is preserved inside ice sheets themselves. Ice cores are capable of retrieving information about glacial history, but they are spatially sparse. Ice-penetrating radar, on the other hand, has been used to map large areas of the West Antarctic Ice Sheet and can be correlated to ice core chronologies. Englacial isochronous layers observed in ice-penetrating radar are the result of variations in ice composition, fabric, temperature and other factors. The shape of these isochronous surfaces is expected to encode information about past and present boundary conditions and ice dynamics. Dipping of englacial layers, for example, may reveal the presence of rapid ice flow through paleo ice streams or high geothermal heat flux. These layers therefore present a useful testbed for hypotheses about paleo ice sheet conditions. However, hypothesis testing requires careful consideration of the sensitivity of layer shape to the competing forces of ice sheet boundary conditions and ice dynamics over time. Controlled sensitivity tests are best completed using models, however ice sheet models generally do not have the capability of simulating layers in the presence of realistic boundary conditions. As such, modeling 3D englacial layers for comparison to observations is difficult and requires determination of a 3D ice velocity field. We present a method of post-processing simulated 3D ice sheet velocities into englacial isochronous layers using an advection scheme. We then test the sensitivity of layer geometry to uncertain boundary conditions, including heterogeneous subglacial geothermal flux and bedrock topography. By identifying areas of the ice sheet strongly influenced by boundary conditions, it may be possible to isolate the signature of paleo ice dynamics in the West Antarctic ice sheet.

Carbon isotope composition of ambient CO2 and recycling: a matrix simulation model

USGS Publications Warehouse

da Silveira Lobo Sternberg, Leonel; DeAngelis, Donald L.

2002-01-01

The relationship between isotopic composition and concentration of ambient CO2 in a canopy and its associated convective boundary layer was modeled. The model divides the canopy and convective boundary layer into several layers. Photosynthesis, respiration, and exchange between each layer can be simulated by matrix equations. This simulation can be used to calculate recycling; defined here as the amount of respired CO2 re-fixed by photosynthesis relative to the total amount of respired CO2. At steady state the matrix equations can be solved for the canopy and convective boundary layer CO2 concentration and isotopic profile, which can be used to calculate a theoretical recycling index according to a previously developed equation. There is complete agreement between simulated and theoretical recycling indices for different exchange scenarios. Recycling indices from a simulation of gas exchange between a heterogeneous vegetation canopy and the troposphere also agreed with a more generalized form of the theoretical recycling equation developed here.

Improving Subtropical Boundary Layer Cloudiness in the 2011 NCEP GFS

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

Fletcher, J. K.; Bretherton, Christopher S.; Xiao, Heng

2014-09-23

The current operational version of National Centers for Environmental Prediction (NCEP) Global Forecasting System (GFS) shows significant low cloud bias. These biases also appear in the Coupled Forecast System (CFS), which is developed from the GFS. These low cloud biases degrade seasonal and longer climate forecasts, particularly of short-wave cloud radiative forcing, and affect predicted sea surface temperature. Reducing this bias in the GFS will aid the development of future CFS versions and contributes to NCEP's goal of unified weather and climate modelling. Changes are made to the shallow convection and planetary boundary layer parameterisations to make them more consistentmore » with current knowledge of these processes and to reduce the low cloud bias. These changes are tested in a single-column version of GFS and in global simulations with GFS coupled to a dynamical ocean model. In the single-column model, we focus on changing parameters that set the following: the strength of shallow cumulus lateral entrainment, the conversion of updraught liquid water to precipitation and grid-scale condensate, shallow cumulus cloud top, and the effect of shallow convection in stratocumulus environments. Results show that these changes improve the single-column simulations when compared to large eddy simulations, in particular through decreasing the precipitation efficiency of boundary layer clouds. These changes, combined with a few other model improvements, also reduce boundary layer cloud and albedo biases in global coupled simulations.« less

Development of water movement model as a module of moisture content simulation in static pile composting.

PubMed

Seng, Bunrith; Kaneko, Hidehiro; Hirayama, Kimiaki; Katayama-Hirayama, Keiko

2012-01-01

This paper presents a mathematical model of vertical water movement and a performance evaluation of the model in static pile composting operated with neither air supply nor turning. The vertical moisture content (MC) model was developed with consideration of evaporation (internal and external evaporation), diffusion (liquid and vapour diffusion) and percolation, whereas additional water from substrate decomposition and irrigation was not taken into account. The evaporation term in the model was established on the basis of reference evaporation of the materials at known temperature, MC and relative humidity of the air. Diffusion of water vapour was estimated as functions of relative humidity and temperature, whereas diffusion of liquid water was empirically obtained from experiment by adopting Fick's law. Percolation was estimated by following Darcy's law. The model was applied to a column of composting wood chips with an initial MC of 60%. The simulation program was run for four weeks with calculation span of 1 s. The simulated results were in reasonably good agreement with the experimental results. Only a top layer (less than 20 cm) had a considerable MC reduction; the deeper layers were comparable to the initial MC, and the bottom layer was higher than the initial MC. This model is a useful tool to estimate the MC profile throughout the composting period, and could be incorporated into biodegradation kinetic simulation of composting.

Impact of Neutral Boundary-Layer Turbulence on Wind-Turbine Wakes: A Numerical Modelling Study

NASA Astrophysics Data System (ADS)

Englberger, Antonia; Dörnbrack, Andreas

2017-03-01

The wake characteristics of a wind turbine in a turbulent boundary layer under neutral stratification are investigated systematically by means of large-eddy simulations. A methodology to maintain the turbulence of the background flow for simulations with open horizontal boundaries, without the necessity of the permanent import of turbulence data from a precursor simulation, was implemented in the geophysical flow solver EULAG. These requirements are fulfilled by applying the spectral energy distribution of a neutral boundary layer in the wind-turbine simulations. A detailed analysis of the wake response towards different turbulence levels of the background flow results in a more rapid recovery of the wake for a higher level of turbulence. A modified version of the Rankine-Froude actuator disc model and the blade element momentum method are tested as wind-turbine parametrizations resulting in a strong dependence of the near-wake wind field on the parametrization, whereas the far-wake flow is fairly insensitive to it. The wake characteristics are influenced by the two considered airfoils in the blade element momentum method up to a streamwise distance of 14 D ( D = rotor diameter). In addition, the swirl induced by the rotation has an impact on the velocity field of the wind turbine even in the far wake. Further, a wake response study reveals a considerable effect of different subgrid-scale closure models on the streamwise turbulent intensity.

Graphene oxide as sensitive layer in Love-wave surface acoustic wave sensors for the detection of chemical warfare agent simulants.

PubMed

Sayago, Isabel; Matatagui, Daniel; Fernández, María Jesús; Fontecha, José Luis; Jurewicz, Izabela; Garriga, Rosa; Muñoz, Edgar

2016-02-01

A Love-wave device with graphene oxide (GO) as sensitive layer has been developed for the detection of chemical warfare agent (CWA) simulants. Sensitive films were fabricated by airbrushing GO dispersions onto Love-wave devices. The resulting Love-wave sensors detected very low CWA simulant concentrations in synthetic air at room temperature (as low as 0.2 ppm for dimethyl-methylphosphonate, DMMP, a simulant of sarin nerve gas, and 0.75 ppm for dipropylene glycol monomethyl ether, DPGME, a simulant of nitrogen mustard). High responses to DMMP and DPGME were obtained with sensitivities of 3087 and 760 Hz/ppm respectively. Very low limit of detection (LOD) values (9 and 40 ppb for DMMP and DPGME, respectively) were calculated from the achieved experimental data. The sensor exhibited outstanding sensitivity, good linearity and repeatability to all simulants tested. The detection mechanism is here explained in terms of hydrogen bonding formation between the tested CWA simulants and GO. Copyright © 2015 Elsevier B.V. All rights reserved.

Influence of double- and triple-layer antireflection coatings on the formation of photocurrents in multijunction III–V solar cells

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

Musalinov, S. B.; Anzulevich, A. P.; Bychkov, I. V.

2017-01-15

The results of simulation by the transfer-matrix method of TiO{sub 2}/SiO{sub 2} double-layer and TiO{sub 2}/Si{sub 3}N{sub 4}/SiO{sub 2} triple-layer antireflection coatings for multijunction InGaP/GaAs/Ge heterostructure solar cells are presented. The TiO{sub 2}/SiO{sub 2} double-layer antireflection coating is experimentally developed and optimized. The experimental spectral dependences of the external quantum yield of the InGaP/GaAs/Ge heterostructure solar cell and optical characteristics of antireflection coatings, obtained in the simulation, are used to determine the photogenerated current densities of each subcell in the InGaP/GaAs/Ge solar cell under AM1.5D irradiation conditions (1000 W/m{sup 2}) and for the case of zero reflection loss. It ismore » shown in the simulation that the optimized TiO{sub 2}/Si{sub 3}N{sub 4}/SiO{sub 2} triple-layer antireflection coating provides a 2.3 mA/cm{sup 2} gain in the photocurrent density for the Ge subcell under AM1.5D conditions in comparison with the TiO{sub 2}/SiO{sub 2} double-layer antireflection coating under consideration. This thereby provides an increase in the fill factor of the current–voltage curve and in the output electric power of the multijunction solar cell.« less

Back pressure based multicast scheduling for fair bandwidth allocation.

PubMed

Sarkar, Saswati; Tassiulas, Leandros

2005-09-01

We study the fair allocation of bandwidth in multicast networks with multirate capabilities. In multirate transmission, each source encodes its signal in layers. The lowest layer contains the most important information and all receivers of a session should receive it. If a receiver's data path has additional bandwidth, it receives higher layers which leads to a better quality of reception. The bandwidth allocation objective is to distribute the layers fairly. We present a computationally simple, decentralized scheduling policy that attains the maxmin fair rates without using any knowledge of traffic statistics and layer bandwidths. This policy learns the congestion level from the queue lengths at the nodes, and adapts the packet transmissions accordingly. When the network is congested, packets are dropped from the higher layers; therefore, the more important lower layers suffer negligible packet loss. We present analytical and simulation results that guarantee the maxmin fairness of the resulting rate allocation, and upper bound the packet loss rates for different layers.

Large eddy simulation of heat entrainment under Arctic sea ice

NASA Astrophysics Data System (ADS)

Ramudu, Eshwan; Gelderloos, Renske; Yang, Di; Meneveau, Charles; Gnanadesikan, Anand

2017-11-01

Sea ice cover in the Arctic has declined rapidly in recent decades. To better understand ice loss through bottom melting, we choose to study the Canada Basin of the Arctic Ocean, which is characterized by a perennial anomalously warm Pacific Summer Water (PSW) layer residing at the base of the mixed layer and a summertime Near-Surface Temperature Maximum (NSTM) layer trapping heat from solar radiation. The interaction of these warm layers with a moving ice basal surface is investigated using large eddy simulation. We find that the presence of the NSTM enhances heat entrainment from the mixed layer. Another conclusion from our work is that there is no heat entrained from the PSW layer, even at the largest ice-drift velocity of 0.3 m s-1 considered. We propose a scaling law for the heat flux at the ice basal surface which depends on the initial temperature anomaly in the NSTM layer and the ice-drift velocity. A case study of `The Great Arctic Cyclone of 2012' gives a turbulent heat flux from the mixed layer that is approximately 70% of the total ocean-to-ice heat flux estimated from the PIOMAS model often used for short-term predictions. Present results highlight the need for large-scale climate models to account for the NSTM layer. We acknowledge funding from NOAA Grant NA15OAR4310172, the NSF, and the University of Houston start-up fund.

Analytical model of surface potential profiles and transfer characteristics for hetero stacked tunnel field-effect transistors

NASA Astrophysics Data System (ADS)

Xu, Hui Fang; Sun, Wen; Han, Xin Feng

2018-06-01

An analytical model of surface potential profiles and transfer characteristics for hetero stacked tunnel field-effect transistors (HS-TFETs) is presented for the first time, where hetero stacked materials are composed of two different bandgaps. The bandgap of the underlying layer is smaller than that of the upper layer. Under different device parameters (upper layer thickness, underlying layer thickness, and hetero stacked materials) and temperature, the validity of the model is demonstrated by the agreement of its results with the simulation results. Moreover, the results show that the HS-TFETs can obtain predominant performance with relatively slow changes of subthreshold swing (SS) over a wide drain current range, steep average subthreshold swing, high on-state current, and large on–off state current ratio.

Skin friction drag reduction on a flat plate turbulent boundary layer using synthetic jets

NASA Astrophysics Data System (ADS)

Belanger, Randy; Boom, Pieter D.; Hanson, Ronald E.; Lavoie, Philippe; Zingg, David W.

2017-11-01

In these studies, we investigate the effect of mild synthetic jet actuation on a flat plate turbulent boundary layer with the goal of interacting with the large scales in the log region of the boundary layer and manipulating the overall skin friction. Results will be presented from both large eddy simulations (LES) and wind tunnel experiments. In the experiments, a large parameter space of synthetic jet frequency and amplitude was studied with hot film sensors at select locations behind a pair of synthetic jets to identify the parameters that produce the greatest changes in the skin friction. The LES simulations were performed for a selected set of parameters and provide a more complete evaluation of the interaction between the boundary layer and synthetic jets. Five boundary layer thicknesses downstream, the skin friction between the actuators is generally found to increase, while regions of reduced skin friction persist downstream of the actuators. This pattern is reversed for forcing at low frequency. Overall, the spanwise-averaged skin friction is increased by the forcing, except when forcing at high frequency and low amplitude, for which a net skin friction reduction persists downstream. The physical interpretation of these results will be discussed. The financial support of Airbus is gratefully acknowledged.

Investigation of the influence of textiles and surface treatments on blistering using a novel simulant.

PubMed

Guerra, C; Schwartz, C J

2012-02-01

Friction blisters occur when shear loading causes the separation of dermal layers. Consequences range from minor pain to life-threatening infection. Past research in blister formation has focused on in vivo experiments, which complicate a mechanics-based study of the phenomenon. A Synthetic Skin Simulant Platform (3SP) approach was developed to investigate the effect of textile fabrics (t-shirt knit and denim cottons) and surface treatments (dry and wet lubricants) on blister formation. 3SP samples consist of bonded elastomeric layers that are surrogates for various dermal layers. These layers display frictional and mechanical properties similar to their anatomical analogues. Blistering was assessed by the measurement of deboned area between layers. Denim caused greater blistering than did the t-shirt knit cotton, and both lubricants significantly reduced blister area and surface damage. A triglyceride-based lubricant had a more pronounced effect on blister reduction than corn starch. The triglyceride lubricant used with t-shirt knit cotton resulted in no blisters being formed. The performance of the 3SP approach follows previously reported frictional behavior of skin in vivo. The results of textile and surface treatment performance suggest that future 3SP iterations can be focused on specific anatomical sites based on application type. © 2011 John Wiley & Sons A/S.

Experimental and numerical investigation of contact-area-limited doping for top-contact pentacene thin-film transistors with Schottky contact.

PubMed

Noda, Kei; Wada, Yasuo; Toyabe, Toru

2015-10-28

Effects of contact-area-limited doping for pentacene thin-film transistors with a bottom-gate, top-contact configuration were investigated. The increase in the drain current and the effective field-effect mobility was achieved by preparing hole-doped layers underneath the gold contact electrodes by coevaporation of pentacene and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), confirmed by using a thin-film organic transistor advanced simulator (TOTAS) incorporating Schottky contact with a thermionic field emission (TFE) model. Although the simulated electrical characteristics fit the experimental results well only in the linear regime of the transistor operation, the barrier height for hole injection and the gate-voltage-dependent hole mobility in the pentacene transistors were evaluated with the aid of the device simulation. This experimental data analysis with the simulation indicates that the highly-doped semiconducting layers prepared in the contact regions can enhance the charge carrier injection into the active semiconductor layer and concurrent trap filling in the transistor channel, caused by the mitigation of a Schottky energy barrier. This study suggests that both the contact-area-limited doping and the device simulation dealing with Schottky contact are indispensable in designing and developing high-performance organic thin-film transistors.

Optimization by simulation of the nature of the buffer, the gap profile of the absorber and the thickness of the various layers in CZTSSe solar cells

NASA Astrophysics Data System (ADS)

Chadel, Meriem; Chadel, Asma; Moustafa Bouzaki, Mohammed; Aillerie, Michel; Benyoucef, Boumediene; Charles, Jean-Pierre

2017-11-01

Performances of ZnO/ZnS/CZTSSe polycrystalline thin film solar cells (Copper Zinc Tin Sulphur Selenium-solar cell) were simulated for different thicknesses of the absorber and ZnS buffer layers. Simulations were performed with SCAPS (Solar Cell Capacitance Simulator) software, starting with actual parameters available from industrial data for commercial cells processing. The influences of the thickness of the various layers in the structure of the solar cell and the gap profile of the CZTSSe absorber layer on the performance of the solar cell were studied in detail. Through considerations of recent works, we discuss possible routes to enhance the performance of CZTSSe solar cells towards a higher efficiency level. Thus, we found that for one specific thickness of the absorber layer, the efficiency of the CZTSSe solar cell can be increased when a ZnS layer replaces the usual CdS buffer layer. On the other hand, the efficiency of the solar cell can be also improved when the absorber layer presents a grad-gap. In this case, the maximum efficiency for the CZTSSe cell was found equal to 13.73%.

Numerical simulations of induction and MWD logging tools and data inversion method with X-window interface on a UNIX workstation

NASA Astrophysics Data System (ADS)

Tian, Xiang-Dong

The purpose of this research is to simulate induction and measuring-while-drilling (MWD) logs. In simulation of logs, there are two tasks. The first task, the forward modeling procedure, is to compute the logs from known formation. The second task, the inversion procedure, is to determine the unknown properties of the formation from the measured field logs. In general, the inversion procedure requires the solution of a forward model. In this study, a stable numerical method to simulate induction and MWD logs is presented. The proposed algorithm is based on a horizontal eigenmode expansion method. Vertical propagation of modes is modeled by a three-layer module. The multilayer cases are treated as a cascade of these modules. The mode tracing algorithm possesses stable characteristics that are superior to other methods. This method is applied to simulate the logs in the formations with both vertical and horizontal layers, and also used to study the groove effects of the MWD tool. The results are very good. Two-dimensional inversion of induction logs is an nonlinear problem. Nonlinear functions of the apparent conductivity are expanded into a Taylor series. After truncating the high order terms in this Taylor series, the nonlinear functions are linearized. An iterative procedure is then devised to solve the inversion problem. In each iteration, the Jacobian matrix is calculated, and a small variation computed using the least-squares method is used to modify the background medium. Finally, the inverted medium is obtained. The horizontal eigenstate method is used to solve the forward problem. It is found that a good inverted formation can be obtained by using measurements. In order to help the user simulate the induction logs conveniently, a Wellog Simulator, based on the X-window system, is developed. The application software (FORTRAN codes) embedded in the Simulator is designed to simulate the responses of the induction tools in the layered formation with dipping beds. The graphic user-interface part of the Wellog Simulator is implemented with C and Motif. Through the user interface, the user can prepare the simulation data, select the tools, simulate the logs and plot the results.

Testing density-dependent groundwater models: Two-dimensional steady state unstable convection in infinite, finite and inclined porous layers

USGS Publications Warehouse

Weatherill, D.; Simmons, C.T.; Voss, C.I.; Robinson, N.I.

2004-01-01

This study proposes the use of several problems of unstable steady state convection with variable fluid density in a porous layer of infinite horizontal extent as two-dimensional (2-D) test cases for density-dependent groundwater flow and solute transport simulators. Unlike existing density-dependent model benchmarks, these problems have well-defined stability criteria that are determined analytically. These analytical stability indicators can be compared with numerical model results to test the ability of a code to accurately simulate buoyancy driven flow and diffusion. The basic analytical solution is for a horizontally infinite fluid-filled porous layer in which fluid density decreases with depth. The proposed test problems include unstable convection in an infinite horizontal box, in a finite horizontal box, and in an infinite inclined box. A dimensionless Rayleigh number incorporating properties of the fluid and the porous media determines the stability of the layer in each case. Testing the ability of numerical codes to match both the critical Rayleigh number at which convection occurs and the wavelength of convection cells is an addition to the benchmark problems currently in use. The proposed test problems are modelled in 2-D using the SUTRA [SUTRA-A model for saturated-unsaturated variable-density ground-water flow with solute or energy transport. US Geological Survey Water-Resources Investigations Report, 02-4231, 2002. 250 p] density-dependent groundwater flow and solute transport code. For the case of an infinite horizontal box, SUTRA results show a distinct change from stable to unstable behaviour around the theoretical critical Rayleigh number of 4??2 and the simulated wavelength of unstable convection agrees with that predicted by the analytical solution. The effects of finite layer aspect ratio and inclination on stability indicators are also tested and numerical results are in excellent agreement with theoretical stability criteria and with numerical results previously reported in traditional fluid mechanics literature. ?? 2004 Elsevier Ltd. All rights reserved.

A fully resolved active musculo-mechanical model for esophageal transport

NASA Astrophysics Data System (ADS)

Kou, Wenjun; Bhalla, Amneet Pal Singh; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

2015-10-01

Esophageal transport is a physiological process that mechanically transports an ingested food bolus from the pharynx to the stomach via the esophagus, a multi-layered muscular tube. This process involves interactions between the bolus, the esophagus, and the neurally coordinated activation of the esophageal muscles. In this work, we use an immersed boundary (IB) approach to simulate peristaltic transport in the esophagus. The bolus is treated as a viscous fluid that is actively transported by the muscular esophagus, and the esophagus is modeled as an actively contracting, fiber-reinforced tube. Before considering the full model of the esophagus, however, we first consider a standard benchmark problem of flow past a cylinder. Next a simplified version of our model is verified by comparison to an analytic solution to the tube dilation problem. Finally, three different complex models of the multi-layered esophagus, which differ in their activation patterns and the layouts of the mucosal layers, are extensively tested. To our knowledge, these simulations are the first of their kind to incorporate the bolus, the multi-layered esophagus tube, and muscle activation into an integrated model. Consistent with experimental observations, our simulations capture the pressure peak generated by the muscle activation pulse that travels along the bolus tail. These fully resolved simulations provide new insights into roles of the mucosal layers during bolus transport. In addition, the information on pressure and the kinematics of the esophageal wall resulting from the coordination of muscle activation is provided, which may help relate clinical data from manometry and ultrasound images to the underlying esophageal motor function.

A Novel Actuator for Simulation of Epidural Anesthesia and Other Needle Insertion Procedures

PubMed Central

Magill, John C.; Byl, Marten F.; Hinds, Michael F.; Agassounon, William; Pratt, Stephen D.; Hess, Philip E.

2010-01-01

Introduction When navigating a needle from skin to epidural space, a skilled clinician maintains a mental model of the anatomy and uses the various forms of haptic and visual feedback to track the location of the needle tip. Simulating the procedure requires an actuator that can produce the feel of tissue layers even as the needle direction changes from the ideal path. Methods A new actuator and algorithm architecture simulate forces associated with passing a needle through varying tissue layers. The actuator uses a set of cables to suspend a needle holder. The cables are wound onto spools controlled by brushless motors. An electromagnetic tracker is used to monitor the position of the needle tip. Results Novice and expert clinicians simulated epidural insertion with the simulator. Preliminary depth-time curves show that the user responds to changes in tissue properties as the needle is advanced. Some discrepancy in clinician response indicates that the feel of the simulator is sensitive to technique, thus perfect tissue property simulation has not been achieved. Conclusions The new simulator is able to approximately reproduce properties of complex multilayer tissue structures, including fine-scale texture. Methods for improving fidelity of the simulation are identified. PMID:20651481

The radiative effects of Saharan dust layer on the marine atmospheric layer

NASA Astrophysics Data System (ADS)

Abed, Mohammed

2017-04-01

The North African Saharan desert is one of the main sources of atmospheric dust. Since dust can be transported by winds for thousands of miles, reaching the Americas and extending across vast expanses of the tropical Atlantic Ocean, it is important to understand the influence that dust has on the radiative properties and the thermodynamic structure of the atmosphere. For climate models it is important that this is represented since the structure of the atmosphere can have important influences downwind on the development of convection, clouds, storms, precipitation and consequently radiative properties. In this study, we aim to understand the dynamic and thermodynamic properties of Saharan dust on the atmospheric structure of marine environment and to investigate the causes of the observed regions of well-mixed potential temperatures of the marine atmosphere in the presence of Saharan dust layers. We compare the influence of dust to other potentially important influences such as wind shear and air mass. To investigate this, we simulated the marine atmosphere in the presence and absence of dust using the UK Met Office Large Eddy Model (LEM) based the BOMEX case-study that is provided with the LEM and updated with observation taken during the FENNEC experiments of June 2011 and 2012. We performed LEM simulations with and without dust heating rates for an eight-hour time period. Data for meteorological profiles were used from the FENNEC aircraft measurements taken over the Atlantic Ocean near the Canary Islands. Our LEM results show that using a stratified (typical of non-dusty) atmosphere and then apply a dust heating rate the profile of potential temperature tends towards a well-mixed layer where the heating rates were applied and consistent with the observational cases. While LEM simulations for wind shear showed very little difference in the potential temperature profile and it was clear the well-mixed layer would not result. LEM simulations using dust heating rates were shown to create and maintain well-mixed layers if we initialised runs with either the dusty or non-dusty profiles; whereas, without the heating rates the layers progressed to a stratified layer consistent with non-dusty day observations. This illustrated independence of the well-mixed layers to the air mass type (other than the dust presence). We conclude from these tests that the well-mixed layers are explained by the presence of the dust. Until now it was not known if the well-mixed regions were a result of the different air masses, as air masses picking up dust over land then advecting out over the ocean are potentially very different to air masses that have been in more pristine oceanic environments, or other influences such as shear. Evaluation of CAPE and CIN with and without the influences of dust heating rates indicated that the atmospheric structure downwind was significantly altered by the presence of the dust layer. It is important as a follow-on from this work to investigate whether the climate models can capture these dust layer influences and potential impacts downwind.

Structural strength assessment of the reconstructed road structure in terms of the loading time and yield criterion

NASA Astrophysics Data System (ADS)

Mazurek, Grzegorz; Iwański, Marek

2018-05-01

This article reports the results of numerical simulations of the stress-strain states in the rebuilt road structure compared to the solutions contained in the Polish Catalogue, with the true characteristics of the layer materials taken into account. In the case analysed, a cold-recycled base layer with foamed bitumen as a recycling agent was used. The presented analysis is complementary to the mandatory in Poland procedure of mechanistic pavement design based on a linear elastic model. The temperature distribution in the road structure was analysed at the reference temperature of 40°C on the asphalt layer surface. The loading time was included in the computer simulations through the use of the classic generalized Maxwell model and thus the stiffness-time history of the layers had to be determined. For this purpose, the dynamic modulus E* tests of the loading time frequency from 0.1 Hz to 20 Hz were carried out, and the yield point was modelled using the Coulomb-Mohr failure criterion calculated on the basis of triaxial compression tests. The analytical solution to the problem was found with ABAQUS. The results demonstrate that the high temperature of asphalt layers and long loading time noticeably reduces the stiffness modulus in those layers. That reduction changes the principal stress levels, which significantly influences the shear stress both in the recycled base layer and in the subgrade soil. Should the yield point be exceeded rapidly in the recycled layer, the horizontal stresses in the asphalt layers will increase and adversely affect the durability of the reconstructed road pavement structure, especially in the zones of slow heavy vehicle traffic.

Thermal conductivity predictions of herringbone graphite nanofibers using molecular dynamics simulations.

PubMed

Khadem, Masoud H; Wemhoff, Aaron P

2013-02-28

Non-equilibrium molecular dynamics (NEMD) simulations are used to investigate the thermal conductivity of herringbone graphite nanofibers (GNFs) at room temperature by breaking down the axial and transverse conductivity values into intralayer and interlayer components. The optimized Tersoff potential is used to account for intralayer carbon-carbon interactions while the Lennard-Jones potential is used to model the interlayer carbon-carbon interactions. The intralayer thermal conductivity of the graphene layers near room temperature is calculated for different crease angles and number of layers using NEMD with a constant applied heat flux. The edge effect on a layer's thermal conductivity is investigated by computing the thermal conductivity values in both zigzag and armchair directions of the heat flow. The interlayer thermal conductivity is also predicted by imposing hot and cold Nosé-Hoover thermostats on two layers. The limiting case of a 90° crease angle is used to compare the results with those of single-layer graphene and few-layer graphene. The axial and transverse thermal conductivities are then calculated using standard trigonometric conversions of the calculated intralayer and interlayer thermal conductivities, along with calculations of few-layer graphene without a crease. The results show a large influence of the crease angle on the intralayer thermal conductivity, and the saturation of thermal conductivity occurs when number of layers is more than three. The axial thermal conductivity, transverse thermal conductivity in the crease direction, and transverse thermal conductivity normal to the crease for the case of a five-layer herringbone GNF with a 45° crease angle are calculated to be 27 W∕m K, 263 W∕m K, and 1500 W∕m K, respectively, where the axial thermal conductivity is in good agreement with experimental measurements.

Polar tent for reduced perturbation of NIF ignition capsules

NASA Astrophysics Data System (ADS)

Hammel, B. A.; Pickworth, L.; Stadermann, M.; Field, J.; Robey, H.; Scott, H. A.; Smalyuk, V.

2016-10-01

In simulations, a tent that contacts the capsule near the poles and departs tangential to the capsule surface greatly reduces the capsule perturbation, and the resulting mass injected into the hot-spot, compared to current capsule support methods. Target fabrication appears feasible with a layered tent (43-nm polyimide + 8-nm C) for increased stiffness. We are planning quantitative measurements of the resulting shell- ρR perturbation near peak implosion velocity (PV) using enhanced self-emission backlighting, achieved by adding 1% Ar to the capsule fill in Symcaps (4He + H). Layered DT implosions are also planned for an integrated test of capsule performance. We will describe the design and simulation predictions. Prepared by LLNL under Contract DE-AC52-07NA27344.

Ground motion simulations in Marmara (Turkey) region from 3D finite difference method

NASA Astrophysics Data System (ADS)

Aochi, Hideo; Ulrich, Thomas; Douglas, John

2016-04-01

In the framework of the European project MARSite (2012-2016), one of the main contributions from our research team was to provide ground-motion simulations for the Marmara region from various earthquake source scenarios. We adopted a 3D finite difference code, taking into account the 3D structure around the Sea of Marmara (including the bathymetry) and the sea layer. We simulated two moderate earthquakes (about Mw4.5) and found that the 3D structure improves significantly the waveforms compared to the 1D layer model. Simulations were carried out for different earthquakes (moderate point sources and large finite sources) in order to provide shake maps (Aochi and Ulrich, BSSA, 2015), to study the variability of ground-motion parameters (Douglas & Aochi, BSSA, 2016) as well as to provide synthetic seismograms for the blind inversion tests (Diao et al., GJI, 2016). The results are also planned to be integrated in broadband ground-motion simulations, tsunamis generation and simulations of triggered landslides (in progress by different partners). The simulations are freely shared among the partners via the internet and the visualization of the results is diffused on the project's homepage. All these simulations should be seen as a reference for this region, as they are based on the latest knowledge that obtained during the MARSite project, although their refinement and validation of the model parameters and the simulations are a continuing research task relying on continuing observations. The numerical code used, the models and the simulations are available on demand.

Direct Numerical Simulations of Transitional/Turbulent Wakes

NASA Technical Reports Server (NTRS)

Rai, Man Mohan

2011-01-01

The interest in transitional/turbulent wakes spans the spectrum from an intellectual pursuit to understand the complex underlying physics to a critical need in aeronautical engineering and other disciplines to predict component/system performance and reliability. Cylinder wakes have been studied extensively over several decades to gain a better understanding of the basic flow phenomena that are encountered in such flows. Experimental, computational and theoretical means have been employed in this effort. While much has been accomplished there are many important issues that need to be resolved. The physics of the very near wake of the cylinder (less than three diameters downstream) is perhaps the most challenging of them all. This region comprises the two detached shear layers, the recirculation region and wake flow. The interaction amongst these three components is to some extent still a matter of conjecture. Experimental techniques have generated a large percentage of the data that have provided us with the current state of understanding of the subject. More recently computational techniques have been used to simulate cylinder wakes, and the data from such simulations are being used to both refine our understanding of such flows as well as provide new insights. A few large eddy and direct numerical simulations (LES and DNS) of cylinder wakes have appeared in the literature in the recent past. These investigations focus on the low Reynolds number range where the cylinder boundary layer is laminar (sub-critical range). However, from an engineering point of view, there is considerable interest in the situation where the upper and/or lower boundary layer of an airfoil is turbulent, and these turbulent boundary layers separate from the airfoil to contribute to the formation of the wake downstream. In the case of cylinders, this only occurs at relatively large unit Reynolds numbers. However, in the case of airfoils, the boundary layer has the opportunity to transition to turbulence on the airfoil surface at a relatively lower unit Reynolds number because the characteristic length of the airfoil is typically one to two orders of magnitude larger than the trailing edge diameter. This transition to turbulence would occur unless there is a strong favorable pressure gradient that results in the boundary layer remaining laminar or transitional over the surface of the airfoil. This presentation will focus on two direct numerical simulations that have been performed at NASA ARC. The first is of a cylinder wake with laminar separating boundary layers. The second is the wake of a flat plate with a circular trailing edge. The upper and lower plate surface boundary layers are both turbulent and statistically identical. Thus the computed wake is symmetric in a statistical sense. This flow is more representative of airfoil wakes than cylinder wakes. Results from the two simulations including flow visualization and turbulence statistics in the near wake will be presented at the seminar.

A Spectrally Selective Attenuation Mechanism-Based Kpar Algorithm for Biomass Heating Effect Simulation in the Open Ocean

NASA Astrophysics Data System (ADS)

Chen, Jun; Zhang, Xiangguang; Xing, Xiaogang; Ishizaka, Joji; Yu, Zhifeng

2017-12-01

Quantifying the diffuse attenuation coefficient of the photosynthetically available radiation (Kpar) can improve our knowledge of euphotic depth (Zeu) and biomass heating effects in the upper layers of oceans. An algorithm to semianalytically derive Kpar from remote sensing reflectance (Rrs) is developed for the global open oceans. This algorithm includes the following two portions: (1) a neural network model for deriving the diffuse attention coefficients (Kd) that considers the residual error in satellite Rrs, and (2) a three band depth-dependent Kpar algorithm (TDKA) for describing the spectrally selective attenuation mechanism of underwater solar radiation in the open oceans. This algorithm is evaluated with both in situ PAR profile data and satellite images, and the results show that it can produce acceptable PAR profile estimations while clearly removing the impacts of satellite residual errors on Kpar estimations. Furthermore, the performance of the TDKA algorithm is evaluated by its applicability in Zeu derivation and mean temperature within a mixed layer depth (TML) simulation, and the results show that it can significantly decrease the uncertainty in both compared with the classical chlorophyll-a concentration-based Kpar algorithm. Finally, the TDKA algorithm is applied in simulating biomass heating effects in the Sargasso Sea near Bermuda, with new Kpar data it is found that the biomass heating effects can lead to a 3.4°C maximum positive difference in temperature in the upper layers but could result in a 0.67°C maximum negative difference in temperature in the deep layers.

Optimized deformation behavior of a dielectric elastomer generator

NASA Astrophysics Data System (ADS)

Foerster, Florentine; Schlaak, Helmut F.

2014-03-01

Dielectric elastomer generators (DEGs) produce electrical energy by converting mechanical into electrical energy. Efficient operation requires an optimal deformation of the DEG during the energy harvesting cycle. However, the deformation resulting from an external load has to be applied to the DEG. The deformation behavior of the DEG is dependent on the type of the mechanical interconnection between the elastic DEG and a stiff support area. The maximization of the capacitance of the DEG in the deformed state leads to the maximum absolute energy gain. Therefore several configurations of mechanical interconnections between a single DEG module as well as multiple stacked DEG modules and stiff supports are investigated in order to find the optimal mechanical interconnection. The investigation is done with numerical simulations using the FEM software ANSYS. A DEG module consists of 50 active dielectric layers with a single layer thickness of 50 μm. The elastomer material is silicone (PDMS) while the compliant electrodes are made of graphite powder. In the simulation the real material parameters of the PDMS and the graphite electrodes are included to compare simulation results to experimental investigations in the future. The numerical simulations of the several configurations are carried out as coupled electro-mechanical simulation for the first step in an energy harvesting cycle with constant external load strain. The simulation results are discussed and an optimal mechanical interconnection between DEG modules and stiff supports is derived.

Effects of multilayer snow scheme on the simulation of snow: Offline Noah and coupled with NCEP CFSv2

NASA Astrophysics Data System (ADS)

Saha, Subodh Kumar; Sujith, K.; Pokhrel, Samir; Chaudhari, Hemantkumar S.; Hazra, Anupam

2017-03-01

The Noah version 2.7.1 is a moderately complex land surface model (LSM), with a single layer snowpack, combined with vegetation and underlying soil layer. Many previous studies have pointed out biases in the simulation of snow, which may hinder the skill of a forecasting system coupled with the Noah. In order to improve the simulation of snow by the Noah, a multilayer snow scheme (up to a maximum of six layers) is introduced. As Noah is the land surface component of the Climate Forecast System version 2 (CFSv2) of the National Centers for Environmental Prediction (NCEP), the modified Noah is also coupled with the CFSv2. The offline LSM shows large improvements in the simulation of snow depth, snow water equivalent (SWE), and snow cover area during snow season (October to June). CFSv2 with the modified Noah reveals a dramatic improvements in the simulation of snow depth and 2 m air temperature and moderate improvements in SWE. As suggested in the previous diagnostic and sensitivity study, improvements in the simulation of snow by CFSv2 have lead to the reduction in dry bias over the Indian subcontinent (by a maximum of 2 mm d-1). The multilayer snow scheme shows promising results in the simulation of snow as well as Indian summer monsoon rainfall and hence this development may be the part of the future version of the CFS.

What is the copper thin film thickness effect on thermal properties of NiTi/Cu bi-layer?

NASA Astrophysics Data System (ADS)

Fazeli, Sara; Vahedpour, Morteza; Khatiboleslam Sadrnezhaad, Sayed

2017-02-01

Molecular dynamics (MD) simulation was used to study of thermal properties of NiTi/Cu. Embedded atom method (EAM) potentials for describing of inter-atomic interaction and Nose-Hoover thermostat and barostat are employed. The melting of the bi-layers was considered by studying the temperature dependence of the cohesive energy and mean square displacement. To highlight the differences between bi-layers with various copper layer thickness, the effect of copper film thickness on thermal properties containing the cohesive energy, melting point, isobaric heat capacity and latent heat of fusion was estimated. The results show that thermal properties of bi-layer systems are higher than that of their corresponding of pure NiTi. But, these properties of bi-layer systems approximately are independent of copper film thicknesses. The mean square displacement (MSD) results show that, the diffusion coefficients enhance upon increasing of copper film thickness in a linear performance.

Agent-based modeling of porous scaffold degradation and vascularization: Optimal scaffold design based on architecture and degradation dynamics.

PubMed

Mehdizadeh, Hamidreza; Bayrak, Elif S; Lu, Chenlin; Somo, Sami I; Akar, Banu; Brey, Eric M; Cinar, Ali

2015-11-01

A multi-layer agent-based model (ABM) of biomaterial scaffold vascularization is extended to consider the effects of scaffold degradation kinetics on blood vessel formation. A degradation model describing the bulk disintegration of porous hydrogels is incorporated into the ABM. The combined degradation-angiogenesis model is used to investigate growing blood vessel networks in the presence of a degradable scaffold structure. Simulation results indicate that higher porosity, larger mean pore size, and rapid degradation allow faster vascularization when not considering the structural support of the scaffold. However, premature loss of structural support results in failure for the material. A strategy using multi-layer scaffold with different degradation rates in each layer was investigated as a way to address this issue. Vascularization was improved with the multi-layered scaffold model compared to the single-layer model. The ABM developed provides insight into the characteristics that influence the selection of optimal geometric parameters and degradation behavior of scaffolds, and enables easy refinement of the model as new knowledge about the underlying biological phenomena becomes available. This paper proposes a multi-layer agent-based model (ABM) of biomaterial scaffold vascularization integrated with a structural-kinetic model describing bulk degradation of porous hydrogels to consider the effects of scaffold degradation kinetics on blood vessel formation. This enables the assessment of scaffold characteristics and in particular the disintegration characteristics of the scaffold on angiogenesis. Simulation results indicate that higher porosity, larger mean pore size, and rapid degradation allow faster vascularization when not considering the structural support of the scaffold. However, premature loss of structural support by scaffold disintegration results in failure of the material and disruption of angiogenesis. A strategy using multi-layer scaffold with different degradation rates in each layer was investigated as away to address this issue. Vascularization was improved with the multi-layered scaffold model compared to the single-layer model. The ABM developed provides insight into the characteristics that influence the selection of optimal geometric and degradation characteristics of tissue engineering scaffolds. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Hybrid finite-difference/lattice Boltzmann simulations of microchannel and nanochannel acoustic streaming driven by surface acoustic waves

NASA Astrophysics Data System (ADS)

Tan, Ming K.; Yeo, Leslie Y.

2018-04-01

A two-dimensional hybrid numerical method that allows full coupling of the elastic motion in a piezoelectric solid (modeled using a finite-difference time-domain technique) with the resultant compressional flow in a fluid (simulated using a lattice Boltzmann scheme) is developed to study the acoustic streaming that arises in both microchannels and nanochannels under surface acoustic wave (SAW) excitation. In addition to verifying the model through a comparison of the simulations with results from experimental and numerical studies of microchannel and nanochannel flows driven by both standing and traveling SAWs in the literature, we highlight salient features of the flow field that arise and discuss the underlying mechanisms responsible for the flow. In microchannels, boundary layer streaming is the dominant mechanism when the channel height is below the sound wavelength in the liquid, whereas Eckart streaming—arising as a consequence of the attenuation of the sound wave in the liquid—dominates in the form of periodic vortices for larger channel heights. The absence of Eckart streaming and the overlapping of boundary layers in nanochannels with heights below the boundary layer thickness, on the other hand, give rise to a time-averaged dynamic acoustic pressure that results in an inertial-dominant flow, which paradoxically possesses a parabolic-like velocity profile resembling pressure-driven laminar flow. In contrast, if the nanochannel were to be filled instead with air, the significantly lower fluid density leads to a considerable reduction in the dynamic acoustic pressure and hence inertial forcing such that boundary layer streaming once again dominates, asymptotically imposing a slip condition along the channel surface that results in a negative pluglike velocity profile.

SST Variation Due to Interactive Convective-Radiative Processes

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Shie, C.-L.; Johnson, D.; Simpson, J.; Li, X.; Sui, C.-H.

2000-01-01

The recent linking of Cloud-Resolving Models (CRMs) to Ocean-Mixed Layer (OML) models has provided a powerful new means of quantifying the role of cloud systems in ocean-atmosphere coupling. This is due to the fact that the CRM can better resolve clouds and cloud systems and allow for explicit cloud-radiation interaction. For example, Anderson (1997) applied an atmospheric forcing associated with a CRM simulated squall line to a 3-D OML model (one way or passive interaction). His results suggested that the spatial variability resulting from the squall forcing can last at least 24 hours when forced with otherwise spatially uniform fluxes. In addition, the sea surface salinity (SSS) variability continuously decreased following the forcing, while some of the SST variability remained when a diurnal mixed layer capped off the surface structure. The forcing used in the OML model, however, focused on shorter time (8 h) and smaller spatial scales (100-120 km). In this study, the 3-D Goddard Cumulus Ensemble Model (GCE; 512 x 512 x 23 cu km, 2-km horizontal resolution) is used to simulate convective active episodes occurring in the Western Pacific warm pool and Eastern Atlantic regions. The model is integrated for seven days, and the simulated results are coupled to an OML model to better understand the impact of precipitation and changes in the planetary boundary layer upon SST variation. We will specifically examine and compare the results of linking the OML model with various spatially-averaged outputs from GCE simulations (i.e., 2 km vs. 10-50 km horizontal resolutions), in order to help understand the SST sensitivity to multi-scale influences. This will allow us to assess the importance of explicitly simulated deep and shallow clouds, as well as the subgrid-scale effects (in coarse-model runs) upon SST variation. Results using both 1-D and 2-D OML models will be evaluated to assess the effects of horizontal advection.

Thermal vibration of rectangular single-layered black phosphorus predicted by orthotropic plate model

NASA Astrophysics Data System (ADS)

Zhang, Yiqing; Wang, Lifeng; Jiang, Jingnong

2018-03-01

Vibrational behavior is very important for nanostructure-based resonators. In this work, an orthotropic plate model together with a molecular dynamics (MD) simulation is used to investigate the thermal vibration of rectangular single-layered black phosphorus (SLBP). Two bending stiffness, two Poisson's ratios, and one shear modulus of SLBP are calculated using the MD simulation. The natural frequency of the SLBP predicted by the orthotropic plate model agrees with the one obtained from the MD simulation very well. The root of mean squared (RMS) amplitude of the SLBP is obtained by MD simulation and the orthotropic plate model considering the law of energy equipartition. The RMS amplitude of the thermal vibration of the SLBP is predicted well by the orthotropic plate model compared to the MD results. Furthermore, the thermal vibration of the SLBP with an initial stress is also well-described by the orthotropic plate model.

Simulation of Earthquake-Generated Sea-Surface Deformation

NASA Astrophysics Data System (ADS)

Vogl, Chris; Leveque, Randy

2016-11-01

Earthquake-generated tsunamis can carry with them a powerful, destructive force. One of the most well-known, recent examples is the tsunami generated by the Tohoku earthquake, which was responsible for the nuclear disaster in Fukushima. Tsunami simulation and forecasting, a necessary element of emergency procedure planning and execution, is typically done using the shallow-water equations. A typical initial condition is that using the Okada solution for a homogeneous, elastic half-space. This work focuses on simulating earthquake-generated sea-surface deformations that are more true to the physics of the materials involved. In particular, a water layer is added on top of the half-space that models the seabed. Sea-surface deformations are then simulated using the Clawpack hyperbolic PDE package. Results from considering the water layer both as linearly elastic and as "nearly incompressible" are compared to that of the Okada solution.

Modified two-layer social force model for emergency earthquake evacuation

NASA Astrophysics Data System (ADS)

Zhang, Hao; Liu, Hong; Qin, Xin; Liu, Baoxi

2018-02-01

Studies of crowd behavior with related research on computer simulation provide an effective basis for architectural design and effective crowd management. Based on low-density group organization patterns, a modified two-layer social force model is proposed in this paper to simulate and reproduce a group gathering process. First, this paper studies evacuation videos from the Luan'xian earthquake in 2012, and extends the study of group organization patterns to a higher density. Furthermore, taking full advantage of the strength in crowd gathering simulations, a new method on grouping and guidance is proposed while using crowd dynamics. Second, a real-life grouping situation in earthquake evacuation is simulated and reproduced. Comparing with the fundamental social force model and existing guided crowd model, the modified model reduces congestion time and truly reflects group behaviors. Furthermore, the experiment result also shows that a stable group pattern and a suitable leader could decrease collision and allow a safer evacuation process.

Numerical investigation of the boundary layer separation in chemical oxygen iodine laser

NASA Astrophysics Data System (ADS)

Huai, Ying; Jia, Shuqin; Wu, Kenan; Jin, Yuqi; Sang, Fengting

2017-11-01

Large eddy simulation is carried out to model the flow process in a supersonic chemical oxygen iodine laser. Unlike the common approaches relying on the tensor representation theory only, the model in the present work is an explicit anisotropy-resolving algebraic Subgrid-scale scalar flux formulation. With an accuracy in capturing the unsteady flow behaviours in the laser. Boundary layer separation initiated by the adverse pressure gradient is identified using Large Eddy Simulation. To quantify the influences of flow boundary layer on the laser performance, the fluid computations coupled with a physical optics loaded cavity model is developed. It has been found that boundary layer separation has a profound effect on the laser outputs due to the introduced shock waves. The F factor of the output beam decreases to 10% of the original one when the boundary transit into turbulence for the setup depicted in the paper. Because the pressure is always greater on the downstream of the boundary layer, there will always be a tendency of boundary separation in the laser. The results inspire designs of the laser to apply positive/passive control methods avoiding the boundary layer perturbation.

Design, Simulation and Fabrication of A MEMS-based Double-layer Spiral Planar Inductor with Patterned Permalloy as Magnetic Layers

NASA Astrophysics Data System (ADS)

Zhu, Xiaomin; Cheng, Ping; Chen, Mingming; Ding, Guifu

2018-03-01

There have been significant efforts to boost the inductance value by adopting the sandwich structures using permalloy magnetic shielding layers. However, this structure will introduce high ac conductor losses and high eddy currents. In order to solve these problems, patterned permalloy can solve this problem effectively. According to the simulation results based on the application of finite element method in the frequency domain, the optimum permalloy pattern is which the blank of the permalloy are perpendicular to the coil inside. The double-layer planar inductor has a size of l5×1.5×0.1mm consisted of 13-turn spiral Cu coil for each layer and a 20μm-thick patterned permalloy magnetic shielding layer. The inductor shows a higher inductance than the traditional planar inductor. The patterned permalloy made the inductor more stable in high frequency than the none-patterned. And the inductor has an inductance of 1.3μH and quality factor of 2.8 at 1.5MHz, with an inductance per unit of 578nH/mm2, which is much higher than that in the reported literatures.

Indirect boundary element method to simulate elastic wave propagation in piecewise irregular and flat regions

NASA Astrophysics Data System (ADS)

Perton, Mathieu; Contreras-Zazueta, Marcial A.; Sánchez-Sesma, Francisco J.

2016-06-01

A new implementation of indirect boundary element method allows simulating the elastic wave propagation in complex configurations made of embedded regions that are homogeneous with irregular boundaries or flat layers. In an older implementation, each layer of a flat layered region would have been treated as a separated homogeneous region without taking into account the flat boundary information. For both types of regions, the scattered field results from fictitious sources positioned along their boundaries. For the homogeneous regions, the fictitious sources emit as in a full-space and the wave field is given by analytical Green's functions. For flat layered regions, fictitious sources emit as in an unbounded flat layered region and the wave field is given by Green's functions obtained from the discrete wavenumber (DWN) method. The new implementation allows then reducing the length of the discretized boundaries but DWN Green's functions require much more computation time than the full-space Green's functions. Several optimization steps are then implemented and commented. Validations are presented for 2-D and 3-D problems. Higher efficiency is achieved in 3-D.

Dependence of tropical cyclone development on coriolis parameter: A theoretical model

NASA Astrophysics Data System (ADS)

Deng, Liyuan; Li, Tim; Bi, Mingyu; Liu, Jia; Peng, Melinda

2018-03-01

A simple theoretical model was formulated to investigate how tropical cyclone (TC) intensification depends on the Coriolis parameter. The theoretical framework includes a two-layer free atmosphere and an Ekman boundary layer at the bottom. The linkage between the free atmosphere and the boundary layer is through the Ekman pumping vertical velocity in proportion to the vorticity at the top of the boundary layer. The closure of this linear system assumes a simple relationship between the free atmosphere diabatic heating and the boundary layer moisture convergence. Under a set of realistic atmospheric parameter values, the model suggests that the most preferred latitude for TC development is around 5° without considering other factors. The theoretical result is confirmed by high-resolution WRF model simulations in a zero-mean flow and a constant SST environment on an f -plane with different Coriolis parameters. Given an initially balanced weak vortex, the TC-like vortex intensifies most rapidly at the reference latitude of 5°. Thus, the WRF model simulations confirm the f-dependent characteristics of TC intensification rate as suggested by the theoretical model.

FOLDER: A numerical tool to simulate the development of structures in layered media

NASA Astrophysics Data System (ADS)

Adamuszek, Marta; Dabrowski, Marcin; Schmid, Daniel W.

2015-04-01

FOLDER is a numerical toolbox for modelling deformation in layered media during layer parallel shortening or extension in two dimensions. FOLDER builds on MILAMIN [1], a finite element method based mechanical solver, with a range of utilities included from the MUTILS package [2]. Numerical mesh is generated using the Triangle software [3]. The toolbox includes features that allow for: 1) designing complex structures such as multi-layer stacks, 2) accurately simulating large-strain deformation of linear and non-linear viscous materials, 3) post-processing of various physical fields such as velocity (total and perturbing), rate of deformation, finite strain, stress, deviatoric stress, pressure, apparent viscosity. FOLDER is designed to ensure maximum flexibility to configure model geometry, define material parameters, specify range of numerical parameters in simulations and choose the plotting options. FOLDER is an open source MATLAB application and comes with a user friendly graphical interface. The toolbox additionally comprises an educational application that illustrates various analytical solutions of growth rates calculated for the cases of folding and necking of a single layer with interfaces perturbed with a single sinusoidal waveform. We further derive two novel analytical expressions for the growth rate in the cases of folding and necking of a linear viscous layer embedded in a linear viscous medium of a finite thickness. We use FOLDER to test the accuracy of single-layer folding simulations using various 1) spatial and temporal resolutions, 2) time integration schemes, and 3) iterative algorithms for non-linear materials. The accuracy of the numerical results is quantified by: 1) comparing them to analytical solution, if available, or 2) running convergence tests. As a result, we provide a map of the most optimal choice of grid size, time step, and number of iterations to keep the results of the numerical simulations below a given error for a given time integration scheme. We also demonstrate that Euler and Leapfrog time integration schemes are not recommended for any practical use. Finally, the capabilities of the toolbox are illustrated based on two examples: 1) shortening of a synthetic multi-layer sequence and 2) extension of a folded quartz vein embedded in phyllite from Sprague Upper Reservoir (example discussed by Sherwin and Chapple [4]). The latter example demonstrates that FOLDER can be successfully used for reverse modelling and mechanical restoration. [1] Dabrowski, M., Krotkiewski, M., and Schmid, D. W., 2008, MILAMIN: MATLAB-based finite element method solver for large problems. Geochemistry Geophysics Geosystems, vol. 9. [2] Krotkiewski, M. and Dabrowski M., 2010 Parallel symmetric sparse matrix-vector product on scalar multi-core cpus. Parallel Computing, 36(4):181-198 [3] Shewchuk, J. R., 1996, Triangle: Engineering a 2D Quality Mesh Generator and Delaunay Triangulator, In: Applied Computational Geometry: Towards Geometric Engineering'' (Ming C. Lin and Dinesh Manocha, editors), Vol. 1148 of Lecture Notes in Computer Science, pp. 203-222, Springer-Verlag, Berlin [4] Sherwin, J.A., Chapple, W.M., 1968. Wavelengths of single layer folds - a Comparison between theory and Observation. American Journal of Science 266 (3), p. 167-179

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

Modeling the Gas Nitriding Process of Low Alloy Steels

NASA Astrophysics Data System (ADS)

Yang, M.; Zimmerman, C.; Donahue, D.; Sisson, R. D.

2013-07-01

The effort to simulate the nitriding process has been ongoing for the last 20 years. Most of the work has been done to simulate the nitriding process of pure iron. In the present work a series of experiments have been done to understand the effects of the nitriding process parameters such as the nitriding potential, temperature, and time as well as surface condition on the gas nitriding process for the steels. The compound layer growth model has been developed to simulate the nitriding process of AISI 4140 steel. In this paper the fundamentals of the model are presented and discussed including the kinetics of compound layer growth and the determination of the nitrogen diffusivity in the diffusion zone. The excellent agreements have been achieved for both as-washed and pre-oxided nitrided AISI 4140 between the experimental data and simulation results. The nitrogen diffusivity in the diffusion zone is determined to be constant and only depends on the nitriding temperature, which is ~5 × 10-9 cm2/s at 548 °C. It proves the concept of utilizing the compound layer growth model in other steels. The nitriding process of various steels can thus be modeled and predicted in the future.

High Resolution Integrated Hohlraum-Capsule Simulations for Virtual NIF Ignition Campaign

NASA Astrophysics Data System (ADS)

Jones, O. S.; Marinak, M. M.; Cerjan, C. J.; Clark, D. S.; Edwards, M. J.; Haan, S. W.; Langer, S. H.; Salmonson, J. D.

2009-11-01

We have undertaken a virtual campaign to assess the viability of the sequence of NIF experiments planned for 2010 that will experimentally tune the shock timing, symmetry, and ablator thickness of a cryogenic ignition capsule prior to the first ignition attempt. The virtual campaign consists of two teams. The ``red team'' creates realistic simulated diagnostic data for a given experiment from the output of a detailed radiation hydrodynamics calculation that has physics models that have been altered in a way that is consistent with probable physics uncertainties. The ``blue team'' executes a series of virtual experiments and interprets the simulated diagnostic data from those virtual experiments. To support this effort we have developed a capability to do very high spatial resolution integrated hohlraum-capsule simulations using the Hydra code. Surface perturbations for all ablator layer surfaces and the DT ice layer are calculated explicitly through mode 30. The effects of the fill tube, cracks in the ice layer, and defects in the ablator are included in models extracted from higher resolution calculations. Very high wave number mix is included through a mix model. We will show results from these calculations in the context of the ongoing virtual campaign.

Performance of Electric Double-Layer Capacitor Simulators

NASA Astrophysics Data System (ADS)

Funabiki, Shigeyuki; Kodama, Shinsuke; Yamamoto, Masayoshi

This paper proposes a simulator of EDLC, which realizes the performance equivalent to electric double-layer capacitors (EDLCs). The proposed simulator consists of an electrolytic capacitor and a two-quadrant chopper working as a current source. Its operation principle is described in the first place. The voltage dependence of capacitance of EDLCs is taken into account. The performance of the proposed EDLC simulator is verified by computer simulations.

Detached-Eddy Simulations of Attached and Detached Boundary Layers

NASA Astrophysics Data System (ADS)

Caruelle, B.; Ducros, F.

2003-12-01

This article presents Detached-Eddy Simulations (DESs) of attached and detached turbulent boundary layers. This hybrid Reynolds Averaged Navier-Stokes (RANS) / Large Eddy Simulation (LES) model goes continuously from RANS to LES according to the mesh definition. We propose a parametric study of the model over two "academic" configurations, in order to get information on the influence of the mesh to correctly treat complex flow with attached and detached boundary layers.

Three-Dimensional Navier-Stokes Simulations with Two-Equation Turbulence Models of Intersecting Shock-Waves/Turbulent Boundary Layer at Mach 8.3

NASA Technical Reports Server (NTRS)

Bardina, J. E.; Coakley, T. J.

1994-01-01

An investigation of the numerical simulation with two-equation turbulence models of a three-dimensional hypersonic intersecting (SWTBL) shock-wave/turbulent boundary layer interaction flow is presented. The flows are solved with an efficient implicit upwind flux-difference split Reynolds-averaged Navier-Stokes code. Numerical results are compared with experimental data for a flow at Mach 8.28 and Reynolds number 5.3x10(exp 6) with crossing shock-waves and expansion fans generated by two lateral 15 fins located on top of a cold-wall plate. This experiment belongs to the hypersonic database for modeling validation. Simulations show the development of two primary counter-rotating cross-flow vortices and secondary turbulent structures under the main vortices and in each corner singularity inside the turbulent boundary layer. A significant loss of total pressure is produced by the complex interaction between the main vortices and the uplifted jet stream of the boundary layer. The overall agreement between computational and experimental data is generally good. The turbulence modeling corrections show improvements in the predictions of surface heat transfer distribution and an increase in the strength of the cross-flow vortices. Accurate predictions of the outflow flowfield is found to require accurate modeling of the laminar/turbulent boundary layers on the fin walls.

Computer Simulation Studies of the Tearing Mode Instability in a Field-Reversed Ion Layer.

DTIC Science & Technology

1980-09-15

CLASSIFICATION OF THIS PAGE (when Date Entered) 20. (Abstract continued) .those of the linear theory. In addition, it has been demonstrated that when...However, all the results obtained so far are very encouraging. Using the energy prin- ciple Sudan and Rosenbluth5 have shown with a hybrid model that a...found that finite length layers are stable to tearing modes as a consequence of axial kinetic pressure. Using a hybrid model , in which the ion layer is

Global Lidar Measurements of Clouds and Aerosols from Space Using the Geoscience Laser Altimeter System (GLAS)

NASA Technical Reports Server (NTRS)

Hlavka, Dennis L.; Palm, S. P.; Welton, E. J.; Hart, W. D.; Spinhirne, J. D.; McGill, M.; Mahesh, A.; Starr, David OC. (Technical Monitor)

2001-01-01

The Geoscience Laser Altimeter System (GLAS) is scheduled for launch on the ICESat satellite as part of the NASA EOS mission in 2002. GLAS will be used to perform high resolution surface altimetry and will also provide a continuously operating atmospheric lidar to profile clouds, aerosols, and the planetary boundary layer with horizontal and vertical resolution of 175 and 76.8 m, respectively. GLAS is the first active satellite atmospheric profiler to provide global coverage. Data products include direct measurements of the heights of aerosol and cloud layers, and the optical depth of transmissive layers. In this poster we provide an overview of the GLAS atmospheric data products, present a simulated GLAS data set, and show results from the simulated data set using the GLAS data processing algorithm. Optical results from the ER-2 Cloud Physics Lidar (CPL), which uses many of the same processing algorithms as GLAS, show algorithm performance with real atmospheric conditions during the Southern African Regional Science Initiative (SAFARI 2000).

Direct numerical simulation of instabilities in parallel flow with spherical roughness elements

NASA Technical Reports Server (NTRS)

Deanna, R. G.

1992-01-01

Results from a direct numerical simulation of laminar flow over a flat surface with spherical roughness elements using a spectral-element method are given. The numerical simulation approximates roughness as a cellular pattern of identical spheres protruding from a smooth wall. Periodic boundary conditions on the domain's horizontal faces simulate an infinite array of roughness elements extending in the streamwise and spanwise directions, which implies the parallel-flow assumption, and results in a closed domain. A body force, designed to yield the horizontal Blasius velocity in the absence of roughness, sustains the flow. Instabilities above a critical Reynolds number reveal negligible oscillations in the recirculation regions behind each sphere and in the free stream, high-amplitude oscillations in the layer directly above the spheres, and a mean profile with an inflection point near the sphere's crest. The inflection point yields an unstable layer above the roughness (where U''(y) is less than 0) and a stable region within the roughness (where U''(y) is greater than 0). Evidently, the instability begins when the low-momentum or wake region behind an element, being the region most affected by disturbances (purely numerical in this case), goes unstable and moves. In compressible flow with periodic boundaries, this motion sends disturbances to all regions of the domain. In the unstable layer just above the inflection point, the disturbances grow while being carried downstream with a propagation speed equal to the local mean velocity; they do not grow amid the low energy region near the roughness patch. The most amplified disturbance eventually arrives at the next roughness element downstream, perturbing its wake and inducing a global response at a frequency governed by the streamwise spacing between spheres and the mean velocity of the most amplified layer.

Field measurements and modeling of wave propagation and subsequent weak layer failure in snow due to explosive loading

NASA Astrophysics Data System (ADS)

Simioni, Stephan; Sidler, Rolf; Dual, Jürg; Schweizer, Jürg

2015-04-01

Avalanche control by explosives is among the key temporary preventive measures. Yet, little is known about the mechanism involved in releasing avalanches by the effect of an explosion. Here, we test the hypothesis that the stress induced by acoustic waves exceeds the strength of weak snow layers. Consequently the snow fails and the onset of rapid crack propagation might finally lead to the release of a snow slab avalanche. We performed experiments with explosive charges over a snowpack. We installed microphones above the snowpack to measure near-surface air pressure and accelerometers within three snow pits. We also recorded pit walls of each pit with high speed cameras to detect weak layer failure. Empirical relationships and a priori information from ice and air were used to characterize a porous layered model from density measurements of snow profiles in the snow pits. This model was used to perform two-dimensional numerical simulations of wave propagation in Biot-type porous material. Locations of snow failure were identified in the simulation by comparing the axial and deviatoric stress field of the simulation to the corresponding snow strength. The identified snow failure locations corresponded well with the observed failure locations in the experiment. The acceleration measured in the snowpack best correlated with the modeled acceleration of the fluid relative to the ice frame. Even though the near field of the explosion is expected to be governed by non-linear effects as for example the observed supersonic wave propagation in the air above the snow surface, the results of the linear poroelastic simulation fit well with the measured air pressure and snowpack accelerations. The results of this comparison are an important step towards quantifying the effectiveness of avalanche control by explosives.

Soil Moisture under Different Vegetation cover in response to Precipitation

NASA Astrophysics Data System (ADS)

Liang, Z.; Zhang, J.; Guo, B.; Ma, J.; Wu, Y.

2016-12-01

The response study of soil moisture to different precipitation and landcover is significant in the field of Hydropedology. The influence of precipitation to soil moisture is obvious in addition to individual stable aquifer. With data of Hillsborough County, Florida, USA, the alluvial wetland forest and ungrazed Bahia grass that under wet and dry periods were chosen as the research objects, respectively. HYDRUS-3D numerical simulation method was used to simulate soil moisture dynamics in the root zone (10-50 cm) of those vegetation. The soil moisture response to precipitation was analyzed. The results showed that the simulation results of alluvial wetland forest by HYDRUS-3D were better than that of the Bahia grass, and for the same vegetation, the simulation results of soil moisture under dry period were better. Precipitation was more in June, 2003, the soil moisture change of alluvial wetland forest in 10-30 cm soil layer and Bahia grass in 10 cm soil layer were consistent with the precipitation change conspicuously. The alluvial wetland forest soil moisture declined faster than Bahia grass under dry period, which demonstrated that Bahia grass had strong ability to hold water. Key words: alluvial wetland forest; Bahia grass; soil moisture; HYDRUS-3D; precipitation

Shear test on viscoelastic granular material using Contact Dynamics simulations

NASA Astrophysics Data System (ADS)

Quezada, Juan Carlos; Sagnol, Loba; Chazallon, Cyrille

2017-06-01

By means of 3D contact dynamic simulations, the behavior of a viscoelastic granular material under shear loading is investigated. A viscoelastic fluid phase surrounding the solid particles is simulated by a contact model acting between them. This contact law was implemented in the LMGC90 software, based on the Burgers model. This model is able to simulate also the effect of creep relaxation. To validate the proposed contact model, several direct shear tests were performed, experimentally and numerically using the Leutner device. The numerical samples were created using spheres with two particle size distribution, each one identified for two layers from a road structure. Our results show a reasonable agreement between experimental and numerical data regarding the strain-stress evolution curves and the stress levels measured at failure. The proposed model can be used to simulate the mechanical behavior of multi-layer road structure and to study the influence of traffic on road deformation, cracking and particles pull-out induced by traffic loading.

Secondary emission from dust grains: Comparison of experimental and model results

NASA Astrophysics Data System (ADS)

Richterova, I.; Pavlu, J.; Nemecek, Z.; Safrankova, J.; Zilavy, P.

The motion, coalescence, and other processes in dust clouds are determined by the dust charge. Since dust grains in the space are bombarded by energetic electrons, the secondary emission is an important process contributing to their charge. It is generally expected that the secondary emission yield is related to surface properties of the bombarded body. However, it is well known that secondary emission from small bodies is determined not only by their composition but an effect of dimension can be very important when the penetration depth of primary electrons is comparable with the grain size. It implies that the secondary emission yield can be influenced by the substrate material if the surface layer is thin enough. We have developed a simple Monte Carlo model of secondary emission that was successfully applied on the dust simulants from glass and melanine formaldehyd (MF) resin and matched very well experimental results. In order to check the influence of surface layers, we have modified the model for spheres covered by a layer with different material properties. The results of model simulations are compared with measurements on MF spheres covered by different metals.

Evaluation of a technique to generate artificially thickened boundary layers in supersonic and hypersonic flows

NASA Technical Reports Server (NTRS)

Porro, A. R.; Hingst, W. R.; Davis, D. O.; Blair, A. B., Jr.

1991-01-01

The feasibility of using a contoured honeycomb model to generate a thick boundary layer in high-speed, compressible flow was investigated. The contour of the honeycomb was tailored to selectively remove momentum in a minimum of streamwise distance to create an artificially thickened turbulent boundary layer. Three wind tunnel experiments were conducted to verify the concept. Results indicate that this technique is a viable concept, especially for high-speed inlet testing applications. In addition, the compactness of the honeycomb boundary layer simulator allows relatively easy integration into existing wind tunnel model hardware.

Applying GIPL2.0 Model to assess the permafrost dynamics on the Qinghai-Tibet Plateau

NASA Astrophysics Data System (ADS)

Wu, T.

2017-12-01

The modeling of active layer and permafrost distribution is of great importance to understand the permafrost dynamics of cold regions, especially in those regions where are difficult to approach such as the Qinghai-Tibet Plateau (QTP). In this study we have applied the Geophysical Institute Permafrost Lab model (GIPL2.0) to estimate the active layer thickness and assess the permafrost thermal regime on the QTP. The GIPL 2.0 have been widely applied in the Arctic regions of Alaska, however less on the QTP. The model has been calibrated according to the four active layer in-situ measurement sites which have different underlying surface and soil characteristics. We extended the original GIPL2 model depth to the depth of 18 m. After the calibration of the GIPL2.0 at those four sites, the first-hand single point model is expanded to a regional model. The key permafrost parameters were simulated, including active layer thickness (ALT), mean annual ground temperature (MAGT) at multiple soil layers, and the permafrost classification was also carried out in order to study the permafrost the thermal stability across the QTP. To validate the performance of expanded regional-GIPL2 model, we compare simulated ALT and MAGT at the depth of zero annual amplitude (DZAA) with observed data. It is demonstrated that the modifications regional-GIPL2 model are able to improve the accuracy of permafrost thermal regime simulations greatly on the QTP. The simulated ALT are generally underestimate the observed ones with the MBE value of -0.14 m and the RMSE value of 0.22 m. For the MAGT at the DZAA of all 51 sites, the simulation errors range from - 0.9 ° to 0.9 ° with the RMSE value of 0.41 °. For the whole permafrost area of the QTP, the simulated ALT ranges from 0 to 8 m, with an average of 2.30 m. The simulated results indicate that most of regions were underlain by the sub-stable permafrost and less regions were underlain by the extremely stable permafrost.

Wind-Tunnel Simulation of Weakly and Moderately Stable Atmospheric Boundary Layers

NASA Astrophysics Data System (ADS)

Hancock, Philip E.; Hayden, Paul

2018-07-01

The simulation of horizontally homogeneous boundary layers that have characteristics of weakly and moderately stable atmospheric flow is investigated, where the well-established wind engineering practice of using `flow generators' to provide a deep boundary layer is employed. Primary attention is given to the flow above the surface layer, in the absence of an overlying inversion, as assessed from first- and second-order moments of velocity and temperature. A uniform inlet temperature profile ahead of a deep layer, allowing initially neutral flow, results in the upper part of the boundary layer remaining neutral. A non-uniform inlet temperature profile is required but needs careful specification if odd characteristics are to be avoided, attributed to long-lasting effects inherent of stability, and to a reduced level of turbulent mixing. The first part of the wind-tunnel floor must not be cooled if turbulence quantities are to vary smoothly with height. Closely horizontally homogeneous flow is demonstrated, where profiles are comparable or closely comparable with atmospheric data in terms of local similarity and functions of normalized height. The ratio of boundary-layer height to surface Obukhov length, and the surface heat flux, are functions of the bulk Richardson number, independent of horizontal homogeneity. Surface heat flux rises to a maximum and then decreases.

Wind-Tunnel Simulation of Weakly and Moderately Stable Atmospheric Boundary Layers

NASA Astrophysics Data System (ADS)

Hancock, Philip E.; Hayden, Paul

2018-02-01

The simulation of horizontally homogeneous boundary layers that have characteristics of weakly and moderately stable atmospheric flow is investigated, where the well-established wind engineering practice of using `flow generators' to provide a deep boundary layer is employed. Primary attention is given to the flow above the surface layer, in the absence of an overlying inversion, as assessed from first- and second-order moments of velocity and temperature. A uniform inlet temperature profile ahead of a deep layer, allowing initially neutral flow, results in the upper part of the boundary layer remaining neutral. A non-uniform inlet temperature profile is required but needs careful specification if odd characteristics are to be avoided, attributed to long-lasting effects inherent of stability, and to a reduced level of turbulent mixing. The first part of the wind-tunnel floor must not be cooled if turbulence quantities are to vary smoothly with height. Closely horizontally homogeneous flow is demonstrated, where profiles are comparable or closely comparable with atmospheric data in terms of local similarity and functions of normalized height. The ratio of boundary-layer height to surface Obukhov length, and the surface heat flux, are functions of the bulk Richardson number, independent of horizontal homogeneity. Surface heat flux rises to a maximum and then decreases.

T-COMP—A suite of programs for extracting transmissivity from MODFLOW models

USGS Publications Warehouse

Halford, Keith J.

2016-02-12

Simulated transmissivities are constrained poorly by assigning permissible ranges of hydraulic conductivities from aquifer-test results to hydrogeologic units in groundwater-flow models. These wide ranges are derived from interpretations of many aquifer tests that are categorized by hydrogeologic unit. Uncertainty is added where contributing thicknesses differ between field estimates and numerical models. Wide ranges of hydraulic conductivities and discordant thicknesses result in simulated transmissivities that frequently are much greater than aquifer-test results. Multiple orders of magnitude differences frequently occur between simulated and observed transmissivities where observed transmissivities are less than 1,000 feet squared per day.Transmissivity observations from individual aquifer tests can constrain model calibration as head and flow observations do. This approach is superior to diluting aquifer-test results into generalized ranges of hydraulic conductivities. Observed and simulated transmissivities can be compared directly with T-COMP, a suite of three FORTRAN programs. Transmissivity observations require that simulated hydraulic conductivities and thicknesses in the volume investigated by an aquifer test be extracted and integrated into a simulated transmissivity. Transmissivities of MODFLOW model cells are sampled within the volume affected by an aquifer test as defined by a well-specific, radial-flow model of each aquifer test. Sampled transmissivities of model cells are averaged within a layer and summed across layers. Accuracy of the approach was tested with hypothetical, multiple-aquifer models where specified transmissivities ranged between 250 and 20,000 feet squared per day. More than 90 percent of simulated transmissivities were within a factor of 2 of specified transmissivities.

Performance of WRF in simulating terrain induced flows and atmospheric boundary layer characteristics over the tropical station Gadanki

NASA Astrophysics Data System (ADS)

Hari Prasad, K. B. R. R.; Srinivas, C. V.; Rao, T. Narayana; Naidu, C. V.; Baskaran, R.

2017-03-01

In this study the evolution of the topographic flows and boundary layer features over a tropical hilly station Gadanki in southern India were simulated using Advanced Research WRF (ARW) mesoscale model for fair weather days during southwest monsoon (20-22 July 2011) and winter (18-20 Jan. 2011). Turbulence measurements from an Ultra High Frequency (UHF) Wind Profiler, Ultra Sonic Anemometer, GPS Sonde and meteorological tower were used for comparison. Simulations revealed development of small-scale slope winds in the lower boundary layer (below 800 m) at Gadanki which are more prevalent during nighttime. Stronger slope winds during winter and weaker flows in the monsoon season are simulated indicating the sensitivity of slope winds to the background synoptic flows and radiative heating/cooling. Higher upward surface fluxes (sensible, latent heat) and development of very deep convective boundary layer ( 2500 m) is simulated during summer monsoon relative to the winter season in good agreement with observations. Four PBL parameterizations (YSU, MYJ, MYNN and ACM) were evaluated to simulate the above characteristics. Large differences were noticed in the simulated boundary layer features using different PBL schemes in both the seasons. It is found that the TKE-closures (MYJ, MYNN) produced extremities in daytime PBL depth, surface fluxes, temperature, humidity and winds. The differences in the simulations are attributed to the eddy diffusivities, buoyancy and entrainment fluxes which were simulated differently in the respective schemes. The K-based YSU followed by MYNN best produced the slope winds as well as daytime boundary layer characteristics realistically in both the summer and winter synoptic conditions at Gadanki hilly site though with slight overestimation of nocturnal PBL height.

The Sensitivity of Numerical Simulations of Cloud-Topped Boundary Layers to Cross-Grid Flow

NASA Astrophysics Data System (ADS)

Wyant, Matthew C.; Bretherton, Christopher S.; Blossey, Peter N.

2018-02-01

In mesoscale and global atmospheric simulations with large horizontal domains, strong horizontal flow across the grid is often unavoidable, but its effects on cloud-topped boundary layers have received comparatively little study. Here the effects of cross-grid flow on large-eddy simulations of stratocumulus and trade-cumulus marine boundary layers are studied across a range of grid resolutions (horizontal × vertical) between 500 m × 20 m and 35 m × 5 m. Three cases are simulated: DYCOMS nocturnal stratocumulus, BOMEX trade cumulus, and a GCSS stratocumulus-to-trade cumulus case. Simulations are performed with a stationary grid (with 4-8 m s-1 horizontal winds blowing through the cyclic domain) and a moving grid (equivalent to subtracting off a fixed vertically uniform horizontal wind) approximately matching the mean boundary-layer wind speed. For stratocumulus clouds, cross-grid flow produces two primary effects on stratocumulus clouds: a filtering of fine-scale resolved turbulent eddies, which reduces stratocumulus cloud-top entrainment, and a vertical broadening of the stratocumulus-top inversion which enhances cloud-top entrainment. With a coarse (20 m) vertical grid, the former effect dominates and leads to strong increases in cloud cover and LWP, especially as horizontal resolution is coarsened. With a finer (5 m) vertical grid, the latter effect is stronger and leads to small reductions in cloud cover and LWP. For the BOMEX trade cumulus case, cross-grid flow tends to produce fewer and larger clouds with higher LWP, especially for coarser vertical grid spacing. The results presented are robust to choice of scalar advection scheme and Courant number.

Modeling of Stick-Slip Behavior in Sheared Granular Fault Gouge Using the Combined Finite-Discrete Element Method

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

Gao, Ke; Euser, Bryan J.; Rougier, Esteban

Sheared granular layers undergoing stick-slip behavior are broadly employed to study the physics and dynamics of earthquakes. In this paper, a two-dimensional implementation of the combined finite-discrete element method (FDEM), which merges the finite element method (FEM) and the discrete element method (DEM), is used to explicitly simulate a sheared granular fault system including both gouge and plate, and to investigate the influence of different normal loads on seismic moment, macroscopic friction coefficient, kinetic energy, gouge layer thickness, and recurrence time between slips. In the FDEM model, the deformation of plates and particles is simulated using the FEM formulation whilemore » particle-particle and particle-plate interactions are modeled using DEM-derived techniques. The simulated seismic moment distributions are generally consistent with those obtained from the laboratory experiments. In addition, the simulation results demonstrate that with increasing normal load, (i) the kinetic energy of the granular fault system increases; (ii) the gouge layer thickness shows a decreasing trend; and (iii) the macroscopic friction coefficient does not experience much change. Analyses of the slip events reveal that, as the normal load increases, more slip events with large kinetic energy release and longer recurrence time occur, and the magnitude of gouge layer thickness decrease also tends to be larger; while the macroscopic friction coefficient drop decreases. Finally, the simulations not only reveal the influence of normal loads on the dynamics of sheared granular fault gouge, but also demonstrate the capabilities of FDEM for studying stick-slip dynamic behavior of granular fault systems.« less

Modeling of Stick-Slip Behavior in Sheared Granular Fault Gouge Using the Combined Finite-Discrete Element Method

DOE PAGES

Gao, Ke; Euser, Bryan J.; Rougier, Esteban; ...

2018-06-20

Sheared granular layers undergoing stick-slip behavior are broadly employed to study the physics and dynamics of earthquakes. In this paper, a two-dimensional implementation of the combined finite-discrete element method (FDEM), which merges the finite element method (FEM) and the discrete element method (DEM), is used to explicitly simulate a sheared granular fault system including both gouge and plate, and to investigate the influence of different normal loads on seismic moment, macroscopic friction coefficient, kinetic energy, gouge layer thickness, and recurrence time between slips. In the FDEM model, the deformation of plates and particles is simulated using the FEM formulation whilemore » particle-particle and particle-plate interactions are modeled using DEM-derived techniques. The simulated seismic moment distributions are generally consistent with those obtained from the laboratory experiments. In addition, the simulation results demonstrate that with increasing normal load, (i) the kinetic energy of the granular fault system increases; (ii) the gouge layer thickness shows a decreasing trend; and (iii) the macroscopic friction coefficient does not experience much change. Analyses of the slip events reveal that, as the normal load increases, more slip events with large kinetic energy release and longer recurrence time occur, and the magnitude of gouge layer thickness decrease also tends to be larger; while the macroscopic friction coefficient drop decreases. Finally, the simulations not only reveal the influence of normal loads on the dynamics of sheared granular fault gouge, but also demonstrate the capabilities of FDEM for studying stick-slip dynamic behavior of granular fault systems.« less

Performance of WRF for Simulation of Mesoscale Meteorological Characteristics for Air Quality Assessment over Tropical Coastal City, Chennai

NASA Astrophysics Data System (ADS)

Madala, Srikanth; Srinivas, C. V.; Satyanarayana, A. N. V.

2018-01-01

The land-sea breezes (LSBs) play an important role in transporting air pollution from urban areas on the coast. In this study, the Advanced Research WRF (ARW) mesoscale model is used for predicting boundary layer features to understand the transport of pollution in different seasons over the coastal region of Chennai in Southern India. Sensitivity experiments are conducted with two non-local [Yonsei University (YSU) and Asymmetric Convective Model version 2 (ACM2)] and three turbulence kinetic energy (TKE) closure [Mellor-Yamada-Nakanishi and Niino Level 2.5 (MYNN2) and Mellor-Yamada-Janjic (MYJ) and quasi-normal scale elimination (QNSE)], planetary boundary layer (PBL) parameterization schemes for simulating the thermodynamic structure, and low-level atmospheric flow in different seasons. Comparison of simulations with observations from a global positioning system (GPS) radiosonde, meteorological tower, automated weather stations, and Doppler weather radar (DWR)-derived wind data reveals that the characteristics of LSBs vary widely in different seasons and are more prominent during the pre-monsoon and monsoon seasons (March-September) with large horizontal and vertical extents compared to the post-monsoon and winter seasons. The qualitative and quantitative results indicate that simulations with ACM2 followed by MYNN2 and YSU produced various features of the LSBs, boundary layer parameters and the thermo-dynamical structure in better agreement with observations than other tested physical parameterization schemes. Simulations revealed seasonal variation of onset time, vertical extent of LSBs, and mixed layer depth, which would influence the air pollution dispersion in different seasons over the study region.

Impact of Resolution on Simulation of Closed Mesoscale Cellular Convection Identified by Dynamically Guided Watershed Segmentation

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

Martini, Matus N.; Gustafson, William I.; Yang, Qing

2014-11-18

Organized mesoscale cellular convection (MCC) is a common feature of marine stratocumulus that forms in response to a balance between mesoscale dynamics and smaller scale processes such as cloud radiative cooling and microphysics. We use the Weather Research and Forecasting model with chemistry (WRF-Chem) and fully coupled cloud-aerosol interactions to simulate marine low clouds during the VOCALS-REx campaign over the southeast Pacific. A suite of experiments with 3- and 9-km grid spacing indicates resolution-dependent behavior. The simulations with finer grid spacing have smaller liquid water paths and cloud fractions, while cloud tops are higher. The observed diurnal cycle is reasonablymore » well simulated. To isolate organized MCC characteristics we develop a new automated method, which uses a variation of the watershed segmentation technique that combines the detection of cloud boundaries with a test for coincident vertical velocity characteristics. This ensures that the detected cloud fields are dynamically consistent for closed MCC, the most common MCC type over the VOCALS-REx region. We demonstrate that the 3-km simulation is able to reproduce the scaling between horizontal cell size and boundary layer height seen in satellite observations. However, the 9-km simulation is unable to resolve smaller circulations corresponding to shallower boundary layers, instead producing invariant MCC horizontal scale for all simulated boundary layers depths. The results imply that climate models with grid spacing of roughly 3 km or smaller may be needed to properly simulate the MCC structure in the marine stratocumulus regions.« less

Boundary Layer Protuberance Simulations in Channel Nozzle Arc-Jet

NASA Technical Reports Server (NTRS)

Marichalar, J. J.; Larin, M. E.; Campbell, C. H.; Pulsonetti, M. V.

2010-01-01

Two protuberance designs were modeled in the channel nozzle of the NASA Johnson Space Center Atmospheric Reentry Materials and Structures Facility with the Data-Parallel Line Relaxation computational fluid dynamics code. The heating on the protuberance was compared to nominal baseline heating at a single fixed arc-jet condition in order to obtain heating augmentation factors for flight traceability in the Boundary Layer Transition Flight Experiment on Space Shuttle Orbiter flights STS-119 and STS-128. The arc-jet simulations were performed in conjunction with the actual ground tests performed on the protuberances. The arc-jet simulations included non-uniform inflow conditions based on the current best practices methodology and used variable enthalpy and constant mass flow rate across the throat. Channel walls were modeled as fully catalytic isothermal surfaces, while the test section (consisting of Reaction Cured Glass tiles) was modeled as a partially catalytic radiative equilibrium wall. The results of the protuberance and baseline simulations were compared to the applicable ground test results, and the effects of the protuberance shock on the opposite channel wall were investigated.

Shuttle Return To Flight Experimental Results: Cavity Effects on Boundary Layer Transition

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Horvath, Thomas J.; Berry, Scott A.

2006-01-01

The effect of an isolated rectangular cavity on hypersonic boundary layer transition of the windward surface of the Shuttle Orbiter has been experimentally examined in the Langley Aerothermodynamics Laboratory in support of an agency-wide effort to prepare the Shuttle Orbiter for return to flight. This experimental study was initiated to provide a cavity effects database for developing hypersonic transition criteria to support on-orbit decisions to repair a damaged thermal protection system. Boundary layer transition results were obtained using 0.0075-scale Orbiter models with simulated tile damage (rectangular cavities) of varying length, width, and depth. The database contained within this report will be used to formulate cavity-induced transition correlations using predicted boundary layer edge parameters.

Atomistic simulations of cation hydration in sodium and calcium montmorillonite nanopores

NASA Astrophysics Data System (ADS)

Yang, Guomin; Neretnieks, Ivars; Holmboe, Michael

2017-08-01

During the last four decades, numerous studies have been directed to the swelling smectite-rich clays in the context of high-level radioactive waste applications and waste-liners for contaminated sites. The swelling properties of clay mineral particles arise due to hydration of the interlayer cations and the diffuse double layers formed near the negatively charged montmorillonite (MMT) surfaces. To accurately study the cation hydration in the interlayer nanopores of MMT, solvent-solute and solvent-clay surface interactions (i.e., the solvation effects and the shape effects) on the atomic level should be taken into account, in contrast to many recent electric double layer based methodologies using continuum models. Therefore, in this research we employed fully atomistic simulations using classical molecular dynamics (MD) simulations, the software package GROMACS along with the CLAYFF forcefield and the SPC/E water model. We present the ion distributions and the deformation of the hydrated coordination structures, i.e., the hydration shells of Na+ and Ca2+ in the interlayer, respectively, for MMT in the first-layer, the second-layer, the third-layer, the fourth-layer, and the fifth-layer (1W, 2W, 3W, 4W, and 5W) hydrate states. Our MD simulations show that Na+ in Na-MMT nanopores have an affinity to the ditrigonal cavities of the clay layers and form transient inner-sphere complexes at about 3.8 Å from clay midplane at water contents less than the 5W hydration state. However, these phenomena are not observed in Ca-MMT regardless of swelling states. For Na-MMT, each Na+ is coordinated to four water molecules and one oxygen atom of the clay basal-plane in the first hydration shell at the 1W hydration state, and with five to six water molecules in the first hydration shell within a radius of 3.1 Å at all higher water contents. In Ca-MMT, however each Ca2+ is coordinated to approximately seven water molecules in the first hydration shell at the 1W hydration state and about eight water molecules in the first hydration shell within a radius of 3.3 Å at all higher hydration states. Moreover, the MD results show that the complete hydration shells are nearly spherical with an orthogonal coordination sphere. They could only be formed when the basal spacing d001 ≥ 18.7 Å, i.e., approximately, the interlayer separation h ≥ 10 Å. Comparison between DFT and MD simulations shows that DFT failed to reproduce the outer-sphere complexes in the Stern-layer (within ˜5.0 Å from the clay basal-plane), observed in the MD simulations.

Local Sensitivity of Predicted CO 2 Injectivity and Plume Extent to Model Inputs for the FutureGen 2.0 site

DOE PAGES

Zhang, Z. Fred; White, Signe K.; Bonneville, Alain; ...

2014-12-31

Numerical simulations have been used for estimating CO2 injectivity, CO2 plume extent, pressure distribution, and Area of Review (AoR), and for the design of CO2 injection operations and monitoring network for the FutureGen project. The simulation results are affected by uncertainties associated with numerous input parameters, the conceptual model, initial and boundary conditions, and factors related to injection operations. Furthermore, the uncertainties in the simulation results also vary in space and time. The key need is to identify those uncertainties that critically impact the simulation results and quantify their impacts. We introduce an approach to determine the local sensitivity coefficientmore » (LSC), defined as the response of the output in percent, to rank the importance of model inputs on outputs. The uncertainty of an input with higher sensitivity has larger impacts on the output. The LSC is scalable by the error of an input parameter. The composite sensitivity of an output to a subset of inputs can be calculated by summing the individual LSC values. We propose a local sensitivity coefficient method and applied it to the FutureGen 2.0 Site in Morgan County, Illinois, USA, to investigate the sensitivity of input parameters and initial conditions. The conceptual model for the site consists of 31 layers, each of which has a unique set of input parameters. The sensitivity of 11 parameters for each layer and 7 inputs as initial conditions is then investigated. For CO2 injectivity and plume size, about half of the uncertainty is due to only 4 or 5 of the 348 inputs and 3/4 of the uncertainty is due to about 15 of the inputs. The initial conditions and the properties of the injection layer and its neighbour layers contribute to most of the sensitivity. Overall, the simulation outputs are very sensitive to only a small fraction of the inputs. However, the parameters that are important for controlling CO2 injectivity are not the same as those controlling the plume size. The three most sensitive inputs for injectivity were the horizontal permeability of Mt Simon 11 (the injection layer), the initial fracture-pressure gradient, and the residual aqueous saturation of Mt Simon 11, while those for the plume area were the initial salt concentration, the initial pressure, and the initial fracture-pressure gradient. The advantages of requiring only a single set of simulation results, scalability to the proper parameter errors, and easy calculation of the composite sensitivities make this approach very cost-effective for estimating AoR uncertainty and guiding cost-effective site characterization, injection well design, and monitoring network design for CO2 storage projects.« less

Dynamic Turbulence Modelling in Large-eddy Simulations of the Cloud-topped Atmospheric Boundary Layer

NASA Technical Reports Server (NTRS)

Kirkpatrick, M. P.; Mansour, N. N.; Ackerman, A. S.; Stevens, D. E.

2003-01-01

The use of large eddy simulation, or LES, to study the atmospheric boundary layer dates back to the early 1970s when Deardor (1972) used a three-dimensional simulation to determine velocity and temperature scales in the convective boundary layer. In 1974 he applied LES to the problem of mixing layer entrainment (Deardor 1974) and in 1980 to the cloud-topped boundary layer (Deardor 1980b). Since that time the LES approach has been applied to atmospheric boundary layer problems by numerous authors. While LES has been shown to be relatively robust for simple cases such as a clear, convective boundary layer (Mason 1989), simulation of the cloud-topped boundary layer has proved more of a challenge. The combination of small length scales and anisotropic turbulence coupled with cloud microphysics and radiation effects places a heavy burden on the turbulence model, especially in the cloud-top region. Consequently, over the past few decades considerable effort has been devoted to developing turbulence models that are better able to parameterize these processes. Much of this work has involved taking parameterizations developed for neutral boundary layers and deriving corrections to account for buoyancy effects associated with the background stratification and local buoyancy sources due to radiative and latent heat transfer within the cloud (see Lilly 1962; Deardor 1980a; Mason 1989; MacVean & Mason 1990, for example). In this paper we hope to contribute to this effort by presenting a number of turbulence models in which the model coefficients are calculated dynamically during the simulation rather than being prescribed a priori.

Coupling of a Simple 3-Layer Snow Model to GISS GCM

NASA Astrophysics Data System (ADS)

Aleinov, I.

2001-12-01

Appropriate simulation of the snow cover dynamics is an important issue for the General Circulation Models (GCMs). The presence of snow has a significant impact on ground albedo and on heat and moisture balance. A 3-layer snow model similar to the one proposed by Lynch-Stieglitz was developed with the purpose of using it inside the GCM developed in the NASA Goddard Institute for Space Studies (GISS). The water transport between the layers is modeled explicitly while the heat balance is computed implicitly between the snow layers and semi-implicitly on the surface. The processes of melting and refreezing and compactification of layers under the gravitational force are modeled appropriately. It was noticed that implicit computation of the heat transport can cause a significant under- or over-estimation of the incoming heat flux when the temperature of the upper snow layer is equal to 0 C. This may lead in particular to delayed snow melting in spring. To remedy this problem a special flux-control algorithm was added to the model, which checks computed flux for possible errors and if such are detected the heat transport is recomputed again with the appropriate corrections. The model was tested off-line with Sleepers River forcing data and exhibited a good agreement between simulated and observed quantities for snow depth, snow density and snow temperature. The model was then incorporated into the GISS GCM. Inside the GCM the model is driven completely by the data simulated by other parts of the GCM. The screening effect of the vegetation is introduced by means of masking depth. For a thin snowpack a fractional cover is implemented so that the total thickness of the the snow is never less then 10 cm (rather, the areal fraction of the snow cover decreases when it melts). The model was tested with 6 year long GCM speed-up runs. It proved to be stable and produced reasonable results for the global snow cover. In comparison to the old GISS GCM snow model (which was incorporating the snow into the first soil layer) the new snow model has better insulating properties, thus preventing the ground from overcooling in winter. It also provides better simulation for water retention and release by the snow which results in more physical ground water runoff.

The effects of temporal variability of mixed layer depth on primary productivity around Bermuda

NASA Technical Reports Server (NTRS)

Bissett, W. Paul; Meyers, Mark B.; Walsh, John J.; Mueller-Karger, Frank E.

1994-01-01

Temporal variations in primary production and surface chlorophyll concentrations, as measured by ship and satellite around Bermuda, were simulated with a numerical model. In the upper 450 m of the water column, population dynamics of a size-fractionated phytoplankton community were forced by daily changes of wind, light, grazing stress, and nutrient availability. The temporal variations of production and chlorophyll were driven by changes in nutrient introduction to the euphotic zone due to both high- and low-frequency changes of the mixed layer depth within 32 deg-34 deg N, 62 deg-64 deg W between 1979 and 1984. Results from the model derived from high-frequency (case 1) changes in the mixed layer depth showed variations in primary production and peak chlorophyll concentrations when compared with results from the model derived from low-frequency (case 2) mixed layer depth changes. Incorporation of size-fractionated plankton state variables in the model led to greater seasonal resolution of measured primary production and vertical chlorophyll profiles. The findings of this study highlight the possible inadequacy of estimating primary production in the sea from data of low-frequency temporal resolution and oversimplified biological simulations.

Decreasing the Effective Thermal Conductivity in Glass Supported Thermoelectric Layers.

PubMed

Bethke, Kevin; Andrei, Virgil; Rademann, Klaus

2016-01-01

As thermoelectric devices begin to make their way into commercial applications, the emphasis is put on decreasing the thermal conductivity. In this purely theoretical study, finite element analysis is used to determine the effect of a supporting material on the thermal conductivity of a thermoelectric module. The simulations illustrate the heat transfer along a sample, consisting from Cu, Cu2O and PbTe thermoelectric layers on a 1 mm thick Pyrex glass substrate. The influence of two different types of heating, at a constant temperature and at a constant heat flux, is also investigated. It is revealed that the presence of a supporting material plays an important role on lowering the effective thermal conductivity of the layer-substrate ensemble. By using thinner thermoelectric layers the effective thermal conductivity is further reduced, almost down to the value of the glass substrate. As a result, the temperature gradient becomes steeper for a fixed heating temperature, which allows the production of devices with improved performance under certain conditions. Based on the simulation results, we also propose a model for a robust thin film thermoelectric device. With this suggestion, we invite the thermoelectric community to prove the applicability of the presented concept for practical purposes.

Decreasing the Effective Thermal Conductivity in Glass Supported Thermoelectric Layers

PubMed Central

Bethke, Kevin; Andrei, Virgil; Rademann, Klaus

2016-01-01

As thermoelectric devices begin to make their way into commercial applications, the emphasis is put on decreasing the thermal conductivity. In this purely theoretical study, finite element analysis is used to determine the effect of a supporting material on the thermal conductivity of a thermoelectric module. The simulations illustrate the heat transfer along a sample, consisting from Cu, Cu2O and PbTe thermoelectric layers on a 1 mm thick Pyrex glass substrate. The influence of two different types of heating, at a constant temperature and at a constant heat flux, is also investigated. It is revealed that the presence of a supporting material plays an important role on lowering the effective thermal conductivity of the layer-substrate ensemble. By using thinner thermoelectric layers the effective thermal conductivity is further reduced, almost down to the value of the glass substrate. As a result, the temperature gradient becomes steeper for a fixed heating temperature, which allows the production of devices with improved performance under certain conditions. Based on the simulation results, we also propose a model for a robust thin film thermoelectric device. With this suggestion, we invite the thermoelectric community to prove the applicability of the presented concept for practical purposes. PMID:26982458

Numerical simulation of the rapid intensification of Hurricane Katrina (2005): Sensitivity to boundary layer parameterization schemes

NASA Astrophysics Data System (ADS)

Liu, Jianjun; Zhang, Feimin; Pu, Zhaoxia

2017-04-01

Accurate forecasting of the intensity changes of hurricanes is an important yet challenging problem in numerical weather prediction. The rapid intensification of Hurricane Katrina (2005) before its landfall in the southern US is studied with the Advanced Research version of the WRF (Weather Research and Forecasting) model. The sensitivity of numerical simulations to two popular planetary boundary layer (PBL) schemes, the Mellor-Yamada-Janjic (MYJ) and the Yonsei University (YSU) schemes, is investigated. It is found that, compared with the YSU simulation, the simulation with the MYJ scheme produces better track and intensity evolution, better vortex structure, and more accurate landfall time and location. Large discrepancies (e.g., over 10 hPa in simulated minimum sea level pressure) are found between the two simulations during the rapid intensification period. Further diagnosis indicates that stronger surface fluxes and vertical mixing in the PBL from the simulation with the MYJ scheme lead to enhanced air-sea interaction, which helps generate more realistic simulations of the rapid intensification process. Overall, the results from this study suggest that improved representation of surface fluxes and vertical mixing in the PBL is essential for accurate prediction of hurricane intensity changes.

Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

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

Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

2014-09-18

The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water the first and second layers are not resolved. At low water coverages (< 1 ML) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10 to 100 ML), the desorption leading edges are in alignmentmore » throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the non-alignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.« less

Desorption kinetics of methanol, ethanol, and water from graphene.

PubMed

Smith, R Scott; Matthiesen, Jesper; Kay, Bruce D

2014-09-18

The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water, the first and second layers are not resolved. At low water coverages (<1 monolayer (ML)) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10-100 ML), the desorption leading edges are in alignment throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the nonalignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.

Burnout Test of First- and Second-Generation HTS Tapes in Liquid-Nitrogen Bath Cooling

NASA Astrophysics Data System (ADS)

Young, M. A.; Demko, J. A.; Duckworth, R. C.; Lue, J. W.; Gouge, M. J.; Pace, M. O.

2004-06-01

A series of BSCCO-2223 and YBCO tapes were subjected to burnout tests in a liquid-nitrogen bath to observe operational stability limits when different layers of dielectric tape are added to the sample surface. In this study, the BSCCO tapes were composed of a silver/alloy sheath with nickel/copper plating, while the YBCO tapes had a 50-μm layer of copper attached to the silver surface. After attaching the tapes to a thermally insulated G-10 holder, the stability of the tapes was found by applying current greater than the critical current and holding it constant for up to 1 min. If the sample voltage increased rapidly during this period, the tape was considered unstable at this current. This was repeated at different layers of Cryoflex™, and the results were compared to a numerical simulation of the energy balance equation. This simulation was also utilized to investigate the effect of the layers on the stability limit and estimate the thermal conductivity of the Cryoflex™.

Channel morphology effect on water transport through graphene bilayers.

PubMed

Liu, Bo; Wu, Renbing; Law, Adrian Wing-Keung; Feng, Xi-Qiao; Bai, Lichun; Zhou, Kun

2016-12-08

The application of few-layered graphene-derived functional thin films for molecular filtration and separation has recently attracted intensive interests. In practice, the morphology of the nanochannel formed by the graphene (GE) layers is not ideally flat and can be affected by various factors. This work investigates the effect of channel morphology on the water transport behaviors through the GE bilayers via molecular dynamics simulations. The simulation results show that the water flow velocity and transport resistance highly depend on the curvature of the graphene layers, particularly when they are curved in non-synergic patterns. To understand the channel morphology effect, the distributions of water density, dipole moment orientation and hydrogen bonds inside the channel are investigated, and the potential energy surface with different distances to the basal GE layer is analyzed. It shows that the channel morphology significantly changes the distribution of the water molecules and their orientation and interaction inside the channel. The energy barrier for water molecules transport through the channel also significantly depends on the channel morphology.

Anomalous transport in discrete arcs and simulation of double layers in a model auroral circuit

NASA Technical Reports Server (NTRS)

Smith, Robert A.

1987-01-01

The evolution and long-time stability of a double layer (DL) in a discrete auroral arc requires that the parallel current in the arc, which may be considered uniform at the source, be diverted within the arc to charge the flanks of the U-shaped double layer potential structure. A simple model is presented in which this current redistribution is effected by anomalous transport based on electrostatic lower hybrid waves driven by the flank structure itself. This process provides the limiting constraint on the double layer potential. The flank charging may be represented as that of a nonlinear transmission line. A simplified model circuit, in which the transmission line is represented by a nonlinear impedance in parallel with a variable resistor, is incorporated in a one-dimensional simulation model to give the current density at the DL boundaries. Results are presented for the scaling of the DL potential as a function of the width of the arc and the saturation efficiency of the lower hybrid instability mechanism.

Anomalous transport in discrete arcs and simulation of double layers in a model auroral circuit

NASA Technical Reports Server (NTRS)

Smith, Robert A.

1987-01-01

The evolution and long-time stability of a double layer in a discrete auroral arc requires that the parallel current in the arc, which may be considered uniform at the source, be diverted within the arc to charge the flanks of the U-shaped double-layer potential structure. A simple model is presented in which this current re-distribution is effected by anomalous transport based on electrostatic lower hybrid waves driven by the flank structure itself. This process provides the limiting constraint on the double-layer potential. The flank charging may be represented as that of a nonlinear transmission. A simplified model circuit, in which the transmission line is represented by a nonlinear impedance in parallel with a variable resistor, is incorporated in a 1-d simulation model to give the current density at the DL boundaries. Results are presented for the scaling of the DL potential as a function of the width of the arc and the saturation efficiency of the lower hybrid instability mechanism.

Channel morphology effect on water transport through graphene bilayers

PubMed Central

Liu, Bo; Wu, Renbing; Law, Adrian Wing-Keung; Feng, Xi-Qiao; Bai, Lichun; Zhou, Kun

2016-01-01

The application of few-layered graphene-derived functional thin films for molecular filtration and separation has recently attracted intensive interests. In practice, the morphology of the nanochannel formed by the graphene (GE) layers is not ideally flat and can be affected by various factors. This work investigates the effect of channel morphology on the water transport behaviors through the GE bilayers via molecular dynamics simulations. The simulation results show that the water flow velocity and transport resistance highly depend on the curvature of the graphene layers, particularly when they are curved in non-synergic patterns. To understand the channel morphology effect, the distributions of water density, dipole moment orientation and hydrogen bonds inside the channel are investigated, and the potential energy surface with different distances to the basal GE layer is analyzed. It shows that the channel morphology significantly changes the distribution of the water molecules and their orientation and interaction inside the channel. The energy barrier for water molecules transport through the channel also significantly depends on the channel morphology. PMID:27929106

Design of a dual band metamaterial absorber for Wi-Fi bands

NASA Astrophysics Data System (ADS)

Alkurt, Fatih Özkan; Baǧmancı, Mehmet; Karaaslan, Muharrem; Bakır, Mehmet; Altıntaş, Olcay; Karadaǧ, Faruk; Akgöl, Oǧuzhan; Ünal, Emin

2018-02-01

The goal of this work is to design and fabrication of a dual band metamaterial based absorber for Wireless Fidelity (Wi-Fi) bands. Wi-Fi has two different operating frequencies such as 2.45 GHz and 5 GHz. A dual band absorber is proposed and the proposed structure consists of two layered unit cells, and different sized square split ring (SSR) resonators located on each layers. Copper is used for metal layer and resonator structure, FR-4 is used as substrate layer in the proposed structure. This designed dual band metamaterial absorber is used in the wireless frequency bands which has two center frequencies such as 2.45 GHz and 5 GHz. Finite Integration Technique (FIT) based simulation software used and according to FIT based simulation results, the absorption peak in the 2.45 GHz is about 90% and the another frequency 5 GHz has absorption peak near 99%. In addition, this proposed structure has a potential for energy harvesting applications in future works.

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

NASA Technical Reports Server (NTRS)

Yungster, Shaye

1991-01-01

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

NASA Technical Reports Server (NTRS)

Yungster, Shaye

1990-01-01

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Validation of High-Speed Turbulent Boundary Layer and Shock-Boundary Layer Interaction Computations with the OVERFLOW Code

NASA Technical Reports Server (NTRS)

Oliver, A. B.; Lillard, R. P.; Blaisdell, G. A.; Lyrintizis, A. S.

2006-01-01

The capability of the OVERFLOW code to accurately compute high-speed turbulent boundary layers and turbulent shock-boundary layer interactions is being evaluated. Configurations being investigated include a Mach 2.87 flat plate to compare experimental velocity profiles and boundary layer growth, a Mach 6 flat plate to compare experimental surface heat transfer,a direct numerical simulation (DNS) at Mach 2.25 for turbulent quantities, and several Mach 3 compression ramps to compare computations of shock-boundary layer interactions to experimental laser doppler velocimetry (LDV) data and hot-wire data. The present paper describes outlines the study and presents preliminary results for two of the flat plate cases and two small-angle compression corner test cases.

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.

Numerical investigation of optimized CZTSSe based solar cell in Wx-Amps environment

NASA Astrophysics Data System (ADS)

Mohanty, Soumya Priyadarshini; Padhy, Srinibasa; Chowdhury, Joy; Sing, Udai P.

2018-05-01

The CZTSSe is the modified version of CZTS with selenium infusion. It shows maximum efficiency in the band gap from 1 to 1.4 eV. In our present work CZTSSe based solar cell is investigated using Wx-Amps tool. The Mo layer, absorber layer, CdS layer, i-ZnO [4]and Al-ZnO layers with their electrical, optical and material parameters are fitted in the tool. The vital parameters such as carrier density, thickness of the CZTSSe absorber layer, operating temperature, CdS buffer layer thickness and its carrier density on the cell interpretation are calculated. From[4] the simulation results it is apparent that the optimal absorber layer varies from 2.9 µm to 3.7 µm. The temperature variation has a strong influence on the efficiency of the cell. An optimal efficiency of 22% (With Jsc=33 mA/cm2, Voc=0.98 V, and fill factor= 68%) are attained. These results will give some insight for makeing higher efficiency CZTSSe based solar cell.

The dynamics of layered and non-layered oscillatory double-diffusive convection

NASA Astrophysics Data System (ADS)

Moll, Ryan D.

Oscillatory double diffusive convection (ODDC) is a double diffusive instability that occurs in fluids that are unstably stratified in temperature and stably stratified in chemical composition. Regions unstable to ODDC are common in the interiors of stars and giant planets, and knowing thermal and compositional transport through these regions is important for stellar and planetary evolution models. Using 3D direct numerical simulations, Rosenblum et al. 2011 first showed that ODDC can either lead to the spontaneous formation of convective layers, or remain in a state dominated by large scale gravity waves. Subsequent studies focused on identifying the conditions for layer formation (Mirouh et al. 2012), and quantifying transport through layered systems (Wood et al. 2013). This document includes 3 works that build on the results of these earlier studies. The subject of the first is transport through non-layered ODDC and shows that in the absence of layered convection, ODDC is dominated by large scale gravity waves that grow to the size of the domain. We find that while these gravity waves induce small amounts of turbulent mixing, turbulent transport through non-layered systems is not significant for the purposes of astrophysical modeling (unlike in layered convection). The second study pertains to ODDC in the presence of Coriolis forces, and shows that rotating systems can be categorized depending on the strength of the rotation. We find that in the slowly rotating regime, the presence of rotation does not significantly affect qualitative behavior, but leads to modest reductions in thermal and compositional transport, while in the fast rotation regime qualitative behaviors are radically different, and systems are dominated by vortices that affect thermal and compositional transport in complex ways. In the final work we study simulations of ODDC at non-layered parameters that are forced into a layered configuration by initial conditions. Our results show that measurements of thermal and compositional transport deviate from values predicted by oft-cited geophysical transport laws.

All-optical intensity modulation based on graphene-coated microfibre waveguides

NASA Astrophysics Data System (ADS)

Wang, Ruiduo; Li, Diao; Jiang, Man; Wu, Hao; Xu, Xiang; Ren, Zhaoyu

2018-03-01

We investigate graphene-covered microfibre (GCM) waveguides, and analyse the microfibres' evanescent field distributions in different diameters and lengths by numerically simulation. According to the simulation results, we designed a graphene-based all-optical modulator using 980 nm and Amplified Spontaneous Emission (ASE) lasers, employing the microfibre's evanescent field induced light-graphene interaction. We studied the modulation effect that is influenced by the microfibre's diameter, number of graphene layers, and effective graphene length. Compared to a single graphene layer of shorter length, the double graphene layer with longer length presents stronger absorption and higher modulation depth. Using a 2- μm diameter microfibre covered by ∼0.3 cm double graphene sheets, we achieved a modulation depth of 8.45 dB. This modulator features ease of fabrication, low cost, and a controllable modulation depth.

Refractive index sensing in the visible/NIR spectrum using silicon nanopillar arrays.

PubMed

Visser, D; Choudhury, B Dev; Krasovska, I; Anand, S

2017-05-29

Si nanopillar (NP) arrays are investigated as refractive index sensors in the visible/NIR wavelength range, suitable for Si photodetector responsivity. The NP arrays are fabricated by nanoimprint lithography and dry etching, and coated with thin dielectric layers. The reflectivity peaks obtained by finite-difference time-domain (FDTD) simulations show a linear shift with coating layer thickness. At 730 nm wavelength, sensitivities of ~0.3 and ~0.9 nm/nm of SiO 2 and Si 3 N 4 , respectively, are obtained; and the optical thicknesses of the deposited surface coatings are determined by comparing the experimental and simulated data. The results show that NP arrays can be used for sensing surface bio-layers. The proposed method could be useful to determine the optical thickness of surface coatings, conformal and non-conformal, in NP-based optical devices.

Ultrasonic density measurement cell design and simulation of non-ideal effects.

PubMed

Higuti, Ricardo Tokio; Buiochi, Flávio; Adamowski, Júlio Cezar; de Espinosa, Francisco Montero

2006-07-01

This paper presents a theoretical analysis of a density measurement cell using an unidimensional model composed by acoustic and electroacoustic transmission lines in order to simulate non-ideal effects. The model is implemented using matrix operations, and is used to design the cell considering its geometry, materials used in sensor assembly, range of liquid sample properties and signal analysis techniques. The sensor performance in non-ideal conditions is studied, considering the thicknesses of adhesive and metallization layers, and the effect of residue of liquid sample which can impregnate on the sample chamber surfaces. These layers are taken into account in the model, and their effects are compensated to reduce the error on density measurement. The results show the contribution of residue layer thickness to density error and its behavior when two signal analysis methods are used.

Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions: SCM SIMULATIONS OF CLOUD TRANSITIONS

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

Neggers, R. A. J.; Ackerman, A. S.; Angevine, W. M.

Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate mod- els for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pa- cific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transitionmore » process, making use of simple met- rics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radia- tive transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median ex- hibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the verti- cal structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid pa- rameterization.« less

Molecular mechanics and structure of the fluid-solid interface in simple fluids

NASA Astrophysics Data System (ADS)

Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

2017-09-01

Near a fluid-solid interface, the fluid spatial density profile is highly nonuniform at the molecular scale. This nonuniformity can have profound effects on the dynamical behavior of the fluid and has been shown to play an especially important role when modeling a wide variety of nanoscale heat and momentum transfer phenomena. We use molecular-mechanics arguments and molecular-dynamics (MD) simulations to develop a better understanding of the structure of the first fluid layer directly adjacent to the solid in the layering regime, as delineated by a nondimensional number that compares the effects of wall-fluid interaction to thermal energy. Using asymptotic analysis of the Nernst-Planck equation, we show that features of the fluid density profile close to the wall, such as the areal density of the first layer ΣFL (defined as the number of atoms in this layer per unit of fluid-solid interfacial area), can be expressed as polynomial functions of the fluid average density ρave. This is found to be in agreement with MD simulations, which also show that the width of the first layer hFL is a linear function of the average density and only a weak function of the temperature T . These results can be combined to show that, for system average densities corresponding to a dense fluid (ρave≥0.7 ), the ratio C ≡ΣFLρavehFL, representing a density enhancement with respect to the bulk fluid, depends only weakly on temperature and is essentially independent of density. Further MD simulations suggest that the above results, nominally valid for large systems (solid in contact with semi-infinite fluid), also describe fluid-solid interfaces under considerable nanoconfinement, provided ρave is appropriately defined.

ForCent model development and testing using the Enriched Background Isotope Study experiment

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

Parton, W.J.; Hanson, P. J.; Swanston, C.

The ForCent forest ecosystem model was developed by making major revisions to the DayCent model including: (1) adding a humus organic pool, (2) incorporating a detailed root growth model, and (3) including plant phenological growth patterns. Observed plant production and soil respiration data from 1993 to 2000 were used to demonstrate that the ForCent model could accurately simulate ecosystem carbon dynamics for the Oak Ridge National Laboratory deciduous forest. A comparison of ForCent versus observed soil pool {sup 14}C signature ({Delta} {sup 14}C) data from the Enriched Background Isotope Study {sup 14}C experiment (1999-2006) shows that the model correctly simulatesmore » the temporal dynamics of the {sup 14}C label as it moved from the surface litter and roots into the mineral soil organic matter pools. ForCent model validation was performed by comparing the observed Enriched Background Isotope Study experimental data with simulated live and dead root biomass {Delta} {sup 14}C data, and with soil respiration {Delta} {sup 14}C (mineral soil, humus layer, leaf litter layer, and total soil respiration) data. Results show that the model correctly simulates the impact of the Enriched Background Isotope Study {sup 14}C experimental treatments on soil respiration {Delta} {sup 14}C values for the different soil organic matter pools. Model results suggest that a two-pool root growth model correctly represents root carbon dynamics and inputs to the soil. The model fitting process and sensitivity analysis exposed uncertainty in our estimates of the fraction of mineral soil in the slow and passive pools, dissolved organic carbon flux out of the litter layer into the mineral soil, and mixing of the humus layer into the mineral soil layer.« less