A multi-scaled approach for simulating chemical reaction systems.

PubMed

Burrage, Kevin; Tian, Tianhai; Burrage, Pamela

2004-01-01

In this paper we give an overview of some very recent work, as well as presenting a new approach, on the stochastic simulation of multi-scaled systems involving chemical reactions. In many biological systems (such as genetic regulation and cellular dynamics) there is a mix between small numbers of key regulatory proteins, and medium and large numbers of molecules. In addition, it is important to be able to follow the trajectories of individual molecules by taking proper account of the randomness inherent in such a system. We describe different types of simulation techniques (including the stochastic simulation algorithm, Poisson Runge-Kutta methods and the balanced Euler method) for treating simulations in the three different reaction regimes: slow, medium and fast. We then review some recent techniques on the treatment of coupled slow and fast reactions for stochastic chemical kinetics and present a new approach which couples the three regimes mentioned above. We then apply this approach to a biologically inspired problem involving the expression and activity of LacZ and LacY proteins in E. coli, and conclude with a discussion on the significance of this work. Copyright 2004 Elsevier Ltd.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

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

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

DOE PAGES

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

2017-06-01

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

Simulating and mapping spatial complexity using multi-scale techniques

USGS Publications Warehouse

De Cola, L.

1994-01-01

A central problem in spatial analysis is the mapping of data for complex spatial fields using relatively simple data structures, such as those of a conventional GIS. This complexity can be measured using such indices as multi-scale variance, which reflects spatial autocorrelation, and multi-fractal dimension, which characterizes the values of fields. These indices are computed for three spatial processes: Gaussian noise, a simple mathematical function, and data for a random walk. Fractal analysis is then used to produce a vegetation map of the central region of California based on a satellite image. This analysis suggests that real world data lie on a continuum between the simple and the random, and that a major GIS challenge is the scientific representation and understanding of rapidly changing multi-scale fields. -Author

A robust computational technique for model order reduction of two-time-scale discrete systems via genetic algorithms.

PubMed

Alsmadi, Othman M K; Abo-Hammour, Zaer S

2015-01-01

A robust computational technique for model order reduction (MOR) of multi-time-scale discrete systems (single input single output (SISO) and multi-input multioutput (MIMO)) is presented in this paper. This work is motivated by the singular perturbation of multi-time-scale systems where some specific dynamics may not have significant influence on the overall system behavior. The new approach is proposed using genetic algorithms (GA) with the advantage of obtaining a reduced order model, maintaining the exact dominant dynamics in the reduced order, and minimizing the steady state error. The reduction process is performed by obtaining an upper triangular transformed matrix of the system state matrix defined in state space representation along with the elements of B, C, and D matrices. The GA computational procedure is based on maximizing the fitness function corresponding to the response deviation between the full and reduced order models. The proposed computational intelligence MOR method is compared to recently published work on MOR techniques where simulation results show the potential and advantages of the new approach.

Multi-scale image segmentation and numerical modeling in carbonate rocks

NASA Astrophysics Data System (ADS)

Alves, G. C.; Vanorio, T.

2016-12-01

Numerical methods based on computational simulations can be an important tool in estimating physical properties of rocks. These can complement experimental results, especially when time constraints and sample availability are a problem. However, computational models created at different scales can yield conflicting results with respect to the physical laboratory. This problem is exacerbated in carbonate rocks due to their heterogeneity at all scales. We developed a multi-scale approach performing segmentation of the rock images and numerical modeling across several scales, accounting for those heterogeneities. As a first step, we measured the porosity and the elastic properties of a group of carbonate samples with varying micrite content. Then, samples were imaged by Scanning Electron Microscope (SEM) as well as optical microscope at different magnifications. We applied three different image segmentation techniques to create numerical models from the SEM images and performed numerical simulations of the elastic wave-equation. Our results show that a multi-scale approach can efficiently account for micro-porosities in tight micrite-supported samples, yielding acoustic velocities comparable to those obtained experimentally. Nevertheless, in high-porosity samples characterized by larger grain/micrite ratio, results show that SEM scale images tend to overestimate velocities, mostly due to their inability to capture macro- and/or intragranular- porosity. This suggests that, for high-porosity carbonate samples, optical microscope images would be more suited for numerical simulations.

Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Singhal, Surendra N.

1992-01-01

A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

Microphysics in the Multi-Scale Modeling Systems with Unified Physics

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.

2011-01-01

In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the microphysics developments of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the heavy precipitation processes will be presented.

Large Terrain Modeling and Visualization for Planets

NASA Technical Reports Server (NTRS)

Myint, Steven; Jain, Abhinandan; Cameron, Jonathan; Lim, Christopher

2011-01-01

Physics-based simulations are actively used in the design, testing, and operations phases of surface and near-surface planetary space missions. One of the challenges in realtime simulations is the ability to handle large multi-resolution terrain data sets within models as well as for visualization. In this paper, we describe special techniques that we have developed for visualization, paging, and data storage for dealing with these large data sets. The visualization technique uses a real-time GPU-based continuous level-of-detail technique that delivers multiple frames a second performance even for planetary scale terrain model sizes.

A domain-specific analysis system for examining nuclear reactor simulation data for light-water and sodium-cooled fast reactors

DOE PAGES

Billings, Jay Jay; Deyton, Jordan H.; Forest Hull, S.; ...

2015-07-17

Building new fission reactors in the United States presents many technical and regulatory challenges. Chief among the technical challenges is the need to share and present results from new high- fidelity, high- performance simulations in an easily consumable way. In light of the modern multi-scale, multi-physics simulations can generate petabytes of data, this will require the development of new techniques and methods to reduce the data to familiar quantities of interest with a more reasonable resolution and size. Furthermore, some of the results from these simulations may be new quantities for which visualization and analysis techniques are not immediately availablemore » in the community and need to be developed. Our paper describes a new system for managing high-performance simulation results in a domain-specific way that naturally exposes quantities of interest for light water and sodium-cooled fast reactors. It enables easy qualitative and quantitative comparisons between simulation results with a graphical user interface and cross-platform, multi-language input- output libraries for use by developers to work with the data. One example comparing results from two different simulation suites for a single assembly in a light-water reactor is presented along with a detailed discussion of the system s requirements and design.« less

Multi-scale gyrokinetic simulations of an Alcator C-Mod, ELM-y H-mode plasma

NASA Astrophysics Data System (ADS)

Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Rodriguez-Fernandez, P.; Candy, J.; Creely, A. J.

2018-01-01

High fidelity, multi-scale gyrokinetic simulations capable of capturing both ion ({k}θ {ρ }s∼ { O }(1.0)) and electron-scale ({k}θ {ρ }e∼ { O }(1.0)) turbulence were performed in the core of an Alcator C-Mod ELM-y H-mode discharge which exhibits reactor-relevant characteristics. These simulations, performed with all experimental inputs and realistic ion to electron mass ratio ({({m}i/{m}e)}1/2=60.0) provide insight into the physics fidelity that may be needed for accurate simulation of the core of fusion reactor discharges. Three multi-scale simulations and series of separate ion and electron-scale simulations performed using the GYRO code (Candy and Waltz 2003 J. Comput. Phys. 186 545) are presented. As with earlier multi-scale results in L-mode conditions (Howard et al 2016 Nucl. Fusion 56 014004), both ion and multi-scale simulations results are compared with experimentally inferred ion and electron heat fluxes, as well as the measured values of electron incremental thermal diffusivities—indicative of the experimental electron temperature profile stiffness. Consistent with the L-mode results, cross-scale coupling is found to play an important role in the simulation of these H-mode conditions. Extremely stiff ion-scale transport is observed in these high-performance conditions which is shown to likely play and important role in the reproduction of measurements of perturbative transport. These results provide important insight into the role of multi-scale plasma turbulence in the core of reactor-relevant plasmas and establish important constraints on the the fidelity of models needed for predictive simulations.

Web-based Visual Analytics for Extreme Scale Climate Science

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

Steed, Chad A; Evans, Katherine J; Harney, John F

In this paper, we introduce a Web-based visual analytics framework for democratizing advanced visualization and analysis capabilities pertinent to large-scale earth system simulations. We address significant limitations of present climate data analysis tools such as tightly coupled dependencies, ineffi- cient data movements, complex user interfaces, and static visualizations. Our Web-based visual analytics framework removes critical barriers to the widespread accessibility and adoption of advanced scientific techniques. Using distributed connections to back-end diagnostics, we minimize data movements and leverage HPC platforms. We also mitigate system dependency issues by employing a RESTful interface. Our framework embraces the visual analytics paradigm via newmore » visual navigation techniques for hierarchical parameter spaces, multi-scale representations, and interactive spatio-temporal data mining methods that retain details. Although generalizable to other science domains, the current work focuses on improving exploratory analysis of large-scale Community Land Model (CLM) and Community Atmosphere Model (CAM) simulations.« less

FAST: A multi-processed environment for visualization of computational fluid dynamics

NASA Technical Reports Server (NTRS)

Bancroft, Gordon V.; Merritt, Fergus J.; Plessel, Todd C.; Kelaita, Paul G.; Mccabe, R. Kevin

1991-01-01

Three-dimensional, unsteady, multi-zoned fluid dynamics simulations over full scale aircraft are typical of the problems being investigated at NASA Ames' Numerical Aerodynamic Simulation (NAS) facility on CRAY2 and CRAY-YMP supercomputers. With multiple processor workstations available in the 10-30 Mflop range, we feel that these new developments in scientific computing warrant a new approach to the design and implementation of analysis tools. These larger, more complex problems create a need for new visualization techniques not possible with the existing software or systems available as of this writing. The visualization techniques will change as the supercomputing environment, and hence the scientific methods employed, evolves even further. The Flow Analysis Software Toolkit (FAST), an implementation of a software system for fluid mechanics analysis, is discussed.

Multiscale Modeling in the Clinic: Drug Design and Development

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

Clancy, Colleen E.; An, Gary; Cannon, William R.

A wide range of length and time scales are relevant to pharmacology, especially in drug development, drug design and drug delivery. Therefore, multi-scale computational modeling and simulation methods and paradigms that advance the linkage of phenomena occurring at these multiple scales have become increasingly important. Multi-scale approaches present in silico opportunities to advance laboratory research to bedside clinical applications in pharmaceuticals research. This is achievable through the capability of modeling to reveal phenomena occurring across multiple spatial and temporal scales, which are not otherwise readily accessible to experimentation. The resultant models, when validated, are capable of making testable predictions tomore » guide drug design and delivery. In this review we describe the goals, methods, and opportunities of multi-scale modeling in drug design and development. We demonstrate the impact of multiple scales of modeling in this field. We indicate the common mathematical techniques employed for multi-scale modeling approaches used in pharmacology and present several examples illustrating the current state-of-the-art regarding drug development for: Excitable Systems (Heart); Cancer (Metastasis and Differentiation); Cancer (Angiogenesis and Drug Targeting); Metabolic Disorders; and Inflammation and Sepsis. We conclude with a focus on barriers to successful clinical translation of drug development, drug design and drug delivery multi-scale models.« less

Predicting the breakdown strength and lifetime of nanocomposites using a multi-scale modeling approach

NASA Astrophysics Data System (ADS)

Huang, Yanhui; Zhao, He; Wang, Yixing; Ratcliff, Tyree; Breneman, Curt; Brinson, L. Catherine; Chen, Wei; Schadler, Linda S.

2017-08-01

It has been found that doping dielectric polymers with a small amount of nanofiller or molecular additive can stabilize the material under a high field and lead to increased breakdown strength and lifetime. Choosing appropriate fillers is critical to optimizing the material performance, but current research largely relies on experimental trial and error. The employment of computer simulations for nanodielectric design is rarely reported. In this work, we propose a multi-scale modeling approach that employs ab initio, Monte Carlo, and continuum scales to predict the breakdown strength and lifetime of polymer nanocomposites based on the charge trapping effect of the nanofillers. The charge transfer, charge energy relaxation, and space charge effects are modeled in respective hierarchical scales by distinctive simulation techniques, and these models are connected together for high fidelity and robustness. The preliminary results show good agreement with the experimental data, suggesting its promise for use in the computer aided material design of high performance dielectrics.

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

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

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

Validation of nonlinear gyrokinetic simulations of L- and I-mode plasmas on Alcator C-Mod

DOE PAGES

Creely, A. J.; Howard, N. T.; Rodriguez-Fernandez, P.; ...

2017-03-02

New validation of global, nonlinear, ion-scale gyrokinetic simulations (GYRO) is carried out for L- and I-mode plasmas on Alcator C-Mod, utilizing heat fluxes, profile stiffness, and temperature fluctuations. Previous work at C-Mod found that ITG/TEM-scale GYRO simulations can match both electron and ion heat fluxes within error bars in I-mode [White PoP 2015], suggesting that multi-scale (cross-scale coupling) effects [Howard PoP 2016] may be less important in I-mode than in L-mode. New results presented here, however, show that global, nonlinear, ion-scale GYRO simulations are able to match the experimental ion heat flux, but underpredict electron heat flux (at most radii),more » electron temperature fluctuations, and perturbative thermal diffusivity in both L- and I-mode. Linear addition of electron heat flux from electron scale runs does not resolve this discrepancy. These results indicate that single-scale simulations do not sufficiently describe the I-mode core transport, and that multi-scale (coupled electron- and ion-scale) transport models are needed. In conclusion a preliminary investigation with multi-scale TGLF, however, was unable to resolve the discrepancy between ion-scale GYRO and experimental electron heat fluxes and perturbative diffusivity, motivating further work with multi-scale GYRO simulations and a more comprehensive study with multi-scale TGLF.« less

A computationally efficient Bayesian sequential simulation approach for the assimilation of vast and diverse hydrogeophysical datasets

NASA Astrophysics Data System (ADS)

Nussbaumer, Raphaël; Gloaguen, Erwan; Mariéthoz, Grégoire; Holliger, Klaus

2016-04-01

Bayesian sequential simulation (BSS) is a powerful geostatistical technique, which notably has shown significant potential for the assimilation of datasets that are diverse with regard to the spatial resolution and their relationship. However, these types of applications of BSS require a large number of realizations to adequately explore the solution space and to assess the corresponding uncertainties. Moreover, such simulations generally need to be performed on very fine grids in order to adequately exploit the technique's potential for characterizing heterogeneous environments. Correspondingly, the computational cost of BSS algorithms in their classical form is very high, which so far has limited an effective application of this method to large models and/or vast datasets. In this context, it is also important to note that the inherent assumption regarding the independence of the considered datasets is generally regarded as being too strong in the context of sequential simulation. To alleviate these problems, we have revisited the classical implementation of BSS and incorporated two key features to increase the computational efficiency. The first feature is a combined quadrant spiral - superblock search, which targets run-time savings on large grids and adds flexibility with regard to the selection of neighboring points using equal directional sampling and treating hard data and previously simulated points separately. The second feature is a constant path of simulation, which enhances the efficiency for multiple realizations. We have also modified the aggregation operator to be more flexible with regard to the assumption of independence of the considered datasets. This is achieved through log-linear pooling, which essentially allows for attributing weights to the various data components. Finally, a multi-grid simulating path was created to enforce large-scale variance and to allow for adapting parameters, such as, for example, the log-linear weights or the type of simulation path at various scales. The newly implemented search method for kriging reduces the computational cost from an exponential dependence with regard to the grid size in the original algorithm to a linear relationship, as each neighboring search becomes independent from the grid size. For the considered examples, our results show a sevenfold reduction in run time for each additional realization when a constant simulation path is used. The traditional criticism that constant path techniques introduce a bias to the simulations was explored and our findings do indeed reveal a minor reduction in the diversity of the simulations. This bias can, however, be largely eliminated by changing the path type at different scales through the use of the multi-grid approach. Finally, we show that adapting the aggregation weight at each scale considered in our multi-grid approach allows for reproducing both the variogram and histogram, and the spatial trend of the underlying data.

Adaptive subdomain modeling: A multi-analysis technique for ocean circulation models

NASA Astrophysics Data System (ADS)

Altuntas, Alper; Baugh, John

2017-07-01

Many coastal and ocean processes of interest operate over large temporal and geographical scales and require a substantial amount of computational resources, particularly when engineering design and failure scenarios are also considered. This study presents an adaptive multi-analysis technique that improves the efficiency of these computations when multiple alternatives are being simulated. The technique, called adaptive subdomain modeling, concurrently analyzes any number of child domains, with each instance corresponding to a unique design or failure scenario, in addition to a full-scale parent domain providing the boundary conditions for its children. To contain the altered hydrodynamics originating from the modifications, the spatial extent of each child domain is adaptively adjusted during runtime depending on the response of the model. The technique is incorporated in ADCIRC++, a re-implementation of the popular ADCIRC ocean circulation model with an updated software architecture designed to facilitate this adaptive behavior and to utilize concurrent executions of multiple domains. The results of our case studies confirm that the method substantially reduces computational effort while maintaining accuracy.

Simulating multi-scale oceanic processes around Taiwan on unstructured grids

NASA Astrophysics Data System (ADS)

Yu, Hao-Cheng; Zhang, Yinglong J.; Yu, Jason C. S.; Terng, C.; Sun, Weiling; Ye, Fei; Wang, Harry V.; Wang, Zhengui; Huang, Hai

2017-11-01

We validate a 3D unstructured-grid (UG) model for simulating multi-scale processes as occurred in Northwestern Pacific around Taiwan using recently developed new techniques (Zhang et al., Ocean Modeling, 102, 64-81, 2016) that require no bathymetry smoothing even for this region with prevalent steep bottom slopes and many islands. The focus is on short-term forecast for several months instead of long-term variability. Compared with satellite products, the errors for the simulated Sea-surface Height (SSH) and Sea-surface Temperature (SST) are similar to a reference data-assimilated global model. In the nearshore region, comparison with 34 tide gauges located around Taiwan indicates an average RMSE of 13 cm for the tidal elevation. The average RMSE for SST at 6 coastal buoys is 1.2 °C. The mean transport and eddy kinetic energy compare reasonably with previously published values and the reference model used to provide boundary and initial conditions. The model suggests ∼2-day interruption of Kuroshio east of Taiwan during a typhoon period. The effect of tidal mixing is shown to be significant nearshore. The multi-scale model is easily extendable to target regions of interest due to its UG framework and a flexible vertical gridding system, which is shown to be superior to terrain-following coordinates.

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

Collins, William D; Johansen, Hans; Evans, Katherine J

We present a survey of physical and computational techniques that have the potential to con- tribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enabling improved accuracy andmore » fidelity in simulation of dynamics and allow more complete representations of climate features at the global scale. At the same time, part- nerships with computer science teams have focused on taking advantage of evolving computer architectures, such as many-core processors and GPUs, so that these approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

From Single-Cell Dynamics to Scaling Laws in Oncology

NASA Astrophysics Data System (ADS)

Chignola, Roberto; Sega, Michela; Stella, Sabrina; Vyshemirsky, Vladislav; Milotti, Edoardo

We are developing a biophysical model of tumor biology. We follow a strictly quantitative approach where each step of model development is validated by comparing simulation outputs with experimental data. While this strategy may slow down our advancements, at the same time it provides an invaluable reward: we can trust simulation outputs and use the model to explore territories of cancer biology where current experimental techniques fail. Here, we review our multi-scale biophysical modeling approach and show how a description of cancer at the cellular level has led us to general laws obeyed by both in vitro and in vivo tumors.

Multi-scale modeling of spin transport in organic semiconductors

NASA Astrophysics Data System (ADS)

Hemmatiyan, Shayan; Souza, Amaury; Kordt, Pascal; McNellis, Erik; Andrienko, Denis; Sinova, Jairo

In this work, we present our theoretical framework to simulate simultaneously spin and charge transport in amorphous organic semiconductors. By combining several techniques e.g. molecular dynamics, density functional theory and kinetic Monte Carlo, we are be able to study spin transport in the presence of anisotropy, thermal effects, magnetic and electric field effects in a realistic morphologies of amorphous organic systems. We apply our multi-scale approach to investigate the spin transport in amorphous Alq3 (Tris(8-hydroxyquinolinato)aluminum) and address the underlying spin relaxation mechanism in this system as a function of temperature, bias voltage, magnetic field and sample thickness.

Quantifying uncertainty and computational complexity for pore-scale simulations

NASA Astrophysics Data System (ADS)

Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.

2016-12-01

Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.

Field-scale multi-phase LNAPL remediation: Validating a new computational framework against sequential field pilot trials.

PubMed

Sookhak Lari, Kaveh; Johnston, Colin D; Rayner, John L; Davis, Greg B

2018-03-05

Remediation of subsurface systems, including groundwater, soil and soil gas, contaminated with light non-aqueous phase liquids (LNAPLs) is challenging. Field-scale pilot trials of multi-phase remediation were undertaken at a site to determine the effectiveness of recovery options. Sequential LNAPL skimming and vacuum-enhanced skimming, with and without water table drawdown were trialled over 78days; in total extracting over 5m 3 of LNAPL. For the first time, a multi-component simulation framework (including the multi-phase multi-component code TMVOC-MP and processing codes) was developed and applied to simulate the broad range of multi-phase remediation and recovery methods used in the field trials. This framework was validated against the sequential pilot trials by comparing predicted and measured LNAPL mass removal rates and compositional changes. The framework was tested on both a Cray supercomputer and a cluster. Simulations mimicked trends in LNAPL recovery rates (from 0.14 to 3mL/s) across all remediation techniques each operating over periods of 4-14days over the 78day trial. The code also approximated order of magnitude compositional changes of hazardous chemical concentrations in extracted gas during vacuum-enhanced recovery. The verified framework enables longer term prediction of the effectiveness of remediation approaches allowing better determination of remediation endpoints and long-term risks. Copyright © 2017 Commonwealth Scientific and Industrial Research Organisation. Published by Elsevier B.V. All rights reserved.

GPU Multi-Scale Particle Tracking and Multi-Fluid Simulations of the Radiation Belts

NASA Astrophysics Data System (ADS)

Ziemba, T.; Carscadden, J.; O'Donnell, D.; Winglee, R.; Harnett, E.; Cash, M.

2007-12-01

The properties of the radiation belts can vary dramatically under the influence of magnetic storms and storm-time substorms. The task of understanding and predicting radiation belt properties is made difficult because their properties determined by global processes as well as small-scale wave-particle interactions. A full solution to the problem will require major innovations in technique and computer hardware. The proposed work will demonstrates liked particle tracking codes with new multi-scale/multi-fluid global simulations that provide the first means to include small-scale processes within the global magnetospheric context. A large hurdle to the problem is having sufficient computer hardware that is able to handle the dissipate temporal and spatial scale sizes. A major innovation of the work is that the codes are designed to run of graphics processing units (GPUs). GPUs are intrinsically highly parallelized systems that provide more than an order of magnitude computing speed over a CPU based systems, for little more cost than a high end-workstation. Recent advancements in GPU technologies allow for full IEEE float specifications with performance up to several hundred GFLOPs per GPU and new software architectures have recently become available to ease the transition from graphics based to scientific applications. This allows for a cheap alternative to standard supercomputing methods and should increase the time to discovery. A demonstration of the code pushing more than 500,000 particles faster than real time is presented, and used to provide new insight into radiation belt dynamics.

Users matter : multi-agent systems model of high performance computing cluster users.

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

North, M. J.; Hood, C. S.; Decision and Information Sciences

2005-01-01

High performance computing clusters have been a critical resource for computational science for over a decade and have more recently become integral to large-scale industrial analysis. Despite their well-specified components, the aggregate behavior of clusters is poorly understood. The difficulties arise from complicated interactions between cluster components during operation. These interactions have been studied by many researchers, some of whom have identified the need for holistic multi-scale modeling that simultaneously includes network level, operating system level, process level, and user level behaviors. Each of these levels presents its own modeling challenges, but the user level is the most complex duemore » to the adaptability of human beings. In this vein, there are several major user modeling goals, namely descriptive modeling, predictive modeling and automated weakness discovery. This study shows how multi-agent techniques were used to simulate a large-scale computing cluster at each of these levels.« less

A mixed parallel strategy for the solution of coupled multi-scale problems at finite strains

NASA Astrophysics Data System (ADS)

Lopes, I. A. Rodrigues; Pires, F. M. Andrade; Reis, F. J. P.

2018-02-01

A mixed parallel strategy for the solution of homogenization-based multi-scale constitutive problems undergoing finite strains is proposed. The approach aims to reduce the computational time and memory requirements of non-linear coupled simulations that use finite element discretization at both scales (FE^2). In the first level of the algorithm, a non-conforming domain decomposition technique, based on the FETI method combined with a mortar discretization at the interface of macroscopic subdomains, is employed. A master-slave scheme, which distributes tasks by macroscopic element and adopts dynamic scheduling, is then used for each macroscopic subdomain composing the second level of the algorithm. This strategy allows the parallelization of FE^2 simulations in computers with either shared memory or distributed memory architectures. The proposed strategy preserves the quadratic rates of asymptotic convergence that characterize the Newton-Raphson scheme. Several examples are presented to demonstrate the robustness and efficiency of the proposed parallel strategy.

SOMAR-LES: A framework for multi-scale modeling of turbulent stratified oceanic flows

NASA Astrophysics Data System (ADS)

Chalamalla, Vamsi K.; Santilli, Edward; Scotti, Alberto; Jalali, Masoud; Sarkar, Sutanu

2017-12-01

A new multi-scale modeling technique, SOMAR-LES, is presented in this paper. Localized grid refinement gives SOMAR (the Stratified Ocean Model with Adaptive Resolution) access to small scales of the flow which are normally inaccessible to general circulation models (GCMs). SOMAR-LES drives a LES (Large Eddy Simulation) on SOMAR's finest grids, forced with large scale forcing from the coarser grids. Three-dimensional simulations of internal tide generation, propagation and scattering are performed to demonstrate this multi-scale modeling technique. In the case of internal tide generation at a two-dimensional bathymetry, SOMAR-LES is able to balance the baroclinic energy budget and accurately model turbulence losses at only 10% of the computational cost required by a non-adaptive solver running at SOMAR-LES's fine grid resolution. This relative cost is significantly reduced in situations with intermittent turbulence or where the location of the turbulence is not known a priori because SOMAR-LES does not require persistent, global, high resolution. To illustrate this point, we consider a three-dimensional bathymetry with grids adaptively refined along the tidally generated internal waves to capture remote mixing in regions of wave focusing. The computational cost in this case is found to be nearly 25 times smaller than that of a non-adaptive solver at comparable resolution. In the final test case, we consider the scattering of a mode-1 internal wave at an isolated two-dimensional and three-dimensional topography, and we compare the results with Legg (2014) numerical experiments. We find good agreement with theoretical estimates. SOMAR-LES is less dissipative than the closure scheme employed by Legg (2014) near the bathymetry. Depending on the flow configuration and resolution employed, a reduction of more than an order of magnitude in computational costs is expected, relative to traditional existing solvers.

Scaling dimensions in spectroscopy of soil and vegetation

NASA Astrophysics Data System (ADS)

Malenovský, Zbyněk; Bartholomeus, Harm M.; Acerbi-Junior, Fausto W.; Schopfer, Jürg T.; Painter, Thomas H.; Epema, Gerrit F.; Bregt, Arnold K.

2007-05-01

The paper revises and clarifies definitions of the term scale and scaling conversions for imaging spectroscopy of soil and vegetation. We demonstrate a new four-dimensional scale concept that includes not only spatial but also the spectral, directional and temporal components. Three scaling remote sensing techniques are reviewed: (1) radiative transfer, (2) spectral (un)mixing, and (3) data fusion. Relevant case studies are given in the context of their up- and/or down-scaling abilities over the soil/vegetation surfaces and a multi-source approach is proposed for their integration. Radiative transfer (RT) models are described to show their capacity for spatial, spectral up-scaling, and directional down-scaling within a heterogeneous environment. Spectral information and spectral derivatives, like vegetation indices (e.g. TCARI/OSAVI), can be scaled and even tested by their means. Radiative transfer of an experimental Norway spruce ( Picea abies (L.) Karst.) research plot in the Czech Republic was simulated by the Discrete Anisotropic Radiative Transfer (DART) model to prove relevance of the correct object optical properties scaled up to image data at two different spatial resolutions. Interconnection of the successive modelling levels in vegetation is shown. A future development in measurement and simulation of the leaf directional spectral properties is discussed. We describe linear and/or non-linear spectral mixing techniques and unmixing methods that demonstrate spatial down-scaling. Relevance of proper selection or acquisition of the spectral endmembers using spectral libraries, field measurements, and pure pixels of the hyperspectral image is highlighted. An extensive list of advanced unmixing techniques, a particular example of unmixing a reflective optics system imaging spectrometer (ROSIS) image from Spain, and examples of other mixture applications give insight into the present status of scaling capabilities. Simultaneous spatial and temporal down-scaling by means of a data fusion technique is described. A demonstrative example is given for the moderate resolution imaging spectroradiometer (MODIS) and LANDSAT Thematic Mapper (TM) data from Brazil. Corresponding spectral bands of both sensors were fused via a pyramidal wavelet transform in Fourier space. New spectral and temporal information of the resultant image can be used for thematic classification or qualitative mapping. All three described scaling techniques can be integrated as the relevant methodological steps within a complex multi-source approach. We present this concept of combining numerous optical remote sensing data and methods to generate inputs for ecosystem process models.

The Large-scale Structure of the Universe: Probes of Cosmology and Structure Formation

NASA Astrophysics Data System (ADS)

Noh, Yookyung

The usefulness of large-scale structure as a probe of cosmology and structure formation is increasing as large deep surveys in multi-wavelength bands are becoming possible. The observational analysis of large-scale structure guided by large volume numerical simulations are beginning to offer us complementary information and crosschecks of cosmological parameters estimated from the anisotropies in Cosmic Microwave Background (CMB) radiation. Understanding structure formation and evolution and even galaxy formation history is also being aided by observations of different redshift snapshots of the Universe, using various tracers of large-scale structure. This dissertation work covers aspects of large-scale structure from the baryon acoustic oscillation scale, to that of large scale filaments and galaxy clusters. First, I discuss a large- scale structure use for high precision cosmology. I investigate the reconstruction of Baryon Acoustic Oscillation (BAO) peak within the context of Lagrangian perturbation theory, testing its validity in a large suite of cosmological volume N-body simulations. Then I consider galaxy clusters and the large scale filaments surrounding them in a high resolution N-body simulation. I investigate the geometrical properties of galaxy cluster neighborhoods, focusing on the filaments connected to clusters. Using mock observations of galaxy clusters, I explore the correlations of scatter in galaxy cluster mass estimates from multi-wavelength observations and different measurement techniques. I also examine the sources of the correlated scatter by considering the intrinsic and environmental properties of clusters.

Continuous micron-scaled rope engineering using a rotating multi-nozzle electrospinning emitter

NASA Astrophysics Data System (ADS)

Zhang, Chunchen; Gao, Chengcheng; Chang, Ming-Wei; Ahmad, Zeeshan; Li, Jing-Song

2016-10-01

Electrospinning (ES) enables simple production of fibers for broad applications (e.g., biomedical engineering, energy storage, and electronics). However, resulting structures are predominantly random; displaying significant disordered fiber entanglement, which inevitably gives rise to structural variations and reproducibility on the micron scale. Surface and structural features on this scale are critical for biomaterials, tissue engineering, and pharmaceutical sciences. In this letter, a modified ES technique using a rotating multi-nozzle emitter is developed and utilized to fabricate continuous micron-scaled polycaprolactone (PCL) ropes, providing control on fiber intercalation (twist) and structural order. Micron-scaled ropes comprising 312 twists per millimeter are generated, and rope diameter and pitch length are regulated using polymer concentration and process parameters. Electric field simulations confirm vector and distribution mechanisms, which influence fiber orientation and deposition during the process. The modified fabrication system provides much needed control on reproducibility and fiber entanglement which is crucial for electrospun biomedical materials.

Formalizing Knowledge in Multi-Scale Agent-Based Simulations

PubMed Central

Somogyi, Endre; Sluka, James P.; Glazier, James A.

2017-01-01

Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused. PMID:29338063

Formalizing Knowledge in Multi-Scale Agent-Based Simulations.

PubMed

Somogyi, Endre; Sluka, James P; Glazier, James A

2016-10-01

Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused.

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

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

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.« less

AN OVERVIEW OF REDUCED ORDER MODELING TECHNIQUES FOR SAFETY APPLICATIONS

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

Mandelli, D.; Alfonsi, A.; Talbot, P.

2016-10-01

The RISMC project is developing new advanced simulation-based tools to perform Computational Risk Analysis (CRA) for the existing fleet of U.S. nuclear power plants (NPPs). These tools numerically model not only the thermal-hydraulic behavior of the reactors primary and secondary systems, but also external event temporal evolution and component/system ageing. Thus, this is not only a multi-physics problem being addressed, but also a multi-scale problem (both spatial, µm-mm-m, and temporal, seconds-hours-years). As part of the RISMC CRA approach, a large amount of computationally-expensive simulation runs may be required. An important aspect is that even though computational power is growing, themore » overall computational cost of a RISMC analysis using brute-force methods may be not viable for certain cases. A solution that is being evaluated to assist the computational issue is the use of reduced order modeling techniques. During the FY2015, we investigated and applied reduced order modeling techniques to decrease the RISMC analysis computational cost by decreasing the number of simulation runs; for this analysis improvement we used surrogate models instead of the actual simulation codes. This article focuses on the use of reduced order modeling techniques that can be applied to RISMC analyses in order to generate, analyze, and visualize data. In particular, we focus on surrogate models that approximate the simulation results but in a much faster time (microseconds instead of hours/days).« less

Realistic mass ratio magnetic reconnection simulations with the Multi Level Multi Domain method

NASA Astrophysics Data System (ADS)

Innocenti, Maria Elena; Beck, Arnaud; Lapenta, Giovanni; Markidis, Stefano

2014-05-01

Space physics simulations with the ambition of realistically representing both ion and electron dynamics have to be able to cope with the huge scale separation between the electron and ion parameters while respecting the stability constraints of the numerical method of choice. Explicit Particle In Cell (PIC) simulations with realistic mass ratio are limited in the size of the problems they can tackle by the restrictive stability constraints of the explicit method (Birdsall and Langdon, 2004). Many alternatives are available to reduce such computation costs. Reduced mass ratios can be used, with the caveats highlighted in Bret and Dieckmann (2010). Fully implicit (Chen et al., 2011a; Markidis and Lapenta, 2011) or semi implicit (Vu and Brackbill, 1992; Lapenta et al., 2006; Cohen et al., 1989) methods can bypass the strict stability constraints of explicit PIC codes. Adaptive Mesh Refinement (AMR) techniques (Vay et al., 2004; Fujimoto and Sydora, 2008) can be employed to change locally the simulation resolution. We focus here on the Multi Level Multi Domain (MLMD) method introduced in Innocenti et al. (2013) and Beck et al. (2013). The method combines the advantages of implicit algorithms and adaptivity. Two levels are fully simulated with fields and particles. The so called "refined level" simulates a fraction of the "coarse level" with a resolution RF times bigger than the coarse level resolution, where RF is the Refinement Factor between the levels. This method is particularly suitable for magnetic reconnection simulations (Biskamp, 2005), where the characteristic Ion and Electron Diffusion Regions (IDR and EDR) develop at the ion and electron scales respectively (Daughton et al., 2006). In Innocenti et al. (2013) we showed that basic wave and instability processes are correctly reproduced by MLMD simulations. In Beck et al. (2013) we applied the technique to plasma expansion and magnetic reconnection problems. We showed that notable computational time savings can be achieved. More importantly, we were able to correctly reproduce EDR features, such as the inversion layer of the electric field observed in Chen et al. (2011b), with a MLMD simulation at a significantly lower cost. Here, we present recent results on EDR dynamics achieved with the MLMD method and a realistic mass ratio.

Simulation of an ensemble of future climate time series with an hourly weather generator

NASA Astrophysics Data System (ADS)

Caporali, E.; Fatichi, S.; Ivanov, V. Y.; Kim, J.

2010-12-01

There is evidence that climate change is occurring in many regions of the world. The necessity of climate change predictions at the local scale and fine temporal resolution is thus warranted for hydrological, ecological, geomorphological, and agricultural applications that can provide thematic insights into the corresponding impacts. Numerous downscaling techniques have been proposed to bridge the gap between the spatial scales adopted in General Circulation Models (GCM) and regional analyses. Nevertheless, the time and spatial resolutions obtained as well as the type of meteorological variables may not be sufficient for detailed studies of climate change effects at the local scales. In this context, this study presents a stochastic downscaling technique that makes use of an hourly weather generator to simulate time series of predicted future climate. Using a Bayesian approach, the downscaling procedure derives distributions of factors of change for several climate statistics from a multi-model ensemble of GCMs. Factors of change are sampled from their distributions using a Monte Carlo technique to entirely account for the probabilistic information obtained with the Bayesian multi-model ensemble. Factors of change are subsequently applied to the statistics derived from observations to re-evaluate the parameters of the weather generator. The weather generator can reproduce a wide set of climate variables and statistics over a range of temporal scales, from extremes, to the low-frequency inter-annual variability. The final result of such a procedure is the generation of an ensemble of hourly time series of meteorological variables that can be considered as representative of future climate, as inferred from GCMs. The generated ensemble of scenarios also accounts for the uncertainty derived from multiple GCMs used in downscaling. Applications of the procedure in reproducing present and future climates are presented for different locations world-wide: Tucson (AZ), Detroit (MI), and Firenze (Italy). The stochastic downscaling is carried out with eight GCMs from the CMIP3 multi-model dataset (IPCC 4AR, A1B scenario).

Pressure-induced metallization of condensed phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multi-scale shock technique.

PubMed

Ge, Ni-Na; Wei, Yong-Kai; Zhao, Feng; Chen, Xiang-Rong; Ji, Guang-Fu

2014-07-01

The electronic structure and initial decomposition in high explosive HMX under conditions of shock loading are examined. The simulation is performed using quantum molecular dynamics in conjunction with multi-scale shock technique (MSST). A self-consistent charge density-functional tight-binding (SCC-DFTB) method is adapted. The results show that the N-N-C angle has a drastic change under shock wave compression along lattice vector b at shock velocity 11 km/s, which is the main reason that leads to an insulator-to-metal transition for the HMX system. The metallization pressure (about 130 GPa) of condensed-phase HMX is predicted firstly. We also detect the formation of several key products of condensed-phase HMX decomposition, such as NO2, NO, N2, N2O, H2O, CO, and CO2, and all of them have been observed in previous experimental studies. Moreover, the initial decomposition products include H2 due to the C-H bond breaking as a primary reaction pathway at extreme condition, which presents a new insight into the initial decomposition mechanism of HMX under shock loading at the atomistic level.

Design and Simulation of Material-Integrated Distributed Sensor Processing with a Code-Based Agent Platform and Mobile Multi-Agent Systems

PubMed Central

Bosse, Stefan

2015-01-01

Multi-agent systems (MAS) can be used for decentralized and self-organizing data processing in a distributed system, like a resource-constrained sensor network, enabling distributed information extraction, for example, based on pattern recognition and self-organization, by decomposing complex tasks in simpler cooperative agents. Reliable MAS-based data processing approaches can aid the material-integration of structural-monitoring applications, with agent processing platforms scaled to the microchip level. The agent behavior, based on a dynamic activity-transition graph (ATG) model, is implemented with program code storing the control and the data state of an agent, which is novel. The program code can be modified by the agent itself using code morphing techniques and is capable of migrating in the network between nodes. The program code is a self-contained unit (a container) and embeds the agent data, the initialization instructions and the ATG behavior implementation. The microchip agent processing platform used for the execution of the agent code is a standalone multi-core stack machine with a zero-operand instruction format, leading to a small-sized agent program code, low system complexity and high system performance. The agent processing is token-queue-based, similar to Petri-nets. The agent platform can be implemented in software, too, offering compatibility at the operational and code level, supporting agent processing in strong heterogeneous networks. In this work, the agent platform embedded in a large-scale distributed sensor network is simulated at the architectural level by using agent-based simulation techniques. PMID:25690550

Design and simulation of material-integrated distributed sensor processing with a code-based agent platform and mobile multi-agent systems.

PubMed

Bosse, Stefan

2015-02-16

Multi-agent systems (MAS) can be used for decentralized and self-organizing data processing in a distributed system, like a resource-constrained sensor network, enabling distributed information extraction, for example, based on pattern recognition and self-organization, by decomposing complex tasks in simpler cooperative agents. Reliable MAS-based data processing approaches can aid the material-integration of structural-monitoring applications, with agent processing platforms scaled to the microchip level. The agent behavior, based on a dynamic activity-transition graph (ATG) model, is implemented with program code storing the control and the data state of an agent, which is novel. The program code can be modified by the agent itself using code morphing techniques and is capable of migrating in the network between nodes. The program code is a self-contained unit (a container) and embeds the agent data, the initialization instructions and the ATG behavior implementation. The microchip agent processing platform used for the execution of the agent code is a standalone multi-core stack machine with a zero-operand instruction format, leading to a small-sized agent program code, low system complexity and high system performance. The agent processing is token-queue-based, similar to Petri-nets. The agent platform can be implemented in software, too, offering compatibility at the operational and code level, supporting agent processing in strong heterogeneous networks. In this work, the agent platform embedded in a large-scale distributed sensor network is simulated at the architectural level by using agent-based simulation techniques.

Microphysics in Multi-scale Modeling System with Unified Physics

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo

2012-01-01

Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the microphysics development and its performance for the multi-scale modeling system will be presented.

Multi-scaling modelling in financial markets

NASA Astrophysics Data System (ADS)

Liu, Ruipeng; Aste, Tomaso; Di Matteo, T.

2007-12-01

In the recent years, a new wave of interest spurred the involvement of complexity in finance which might provide a guideline to understand the mechanism of financial markets, and researchers with different backgrounds have made increasing contributions introducing new techniques and methodologies. In this paper, Markov-switching multifractal models (MSM) are briefly reviewed and the multi-scaling properties of different financial data are analyzed by computing the scaling exponents by means of the generalized Hurst exponent H(q). In particular we have considered H(q) for price data, absolute returns and squared returns of different empirical financial time series. We have computed H(q) for the simulated data based on the MSM models with Binomial and Lognormal distributions of the volatility components. The results demonstrate the capacity of the multifractal (MF) models to capture the stylized facts in finance, and the ability of the generalized Hurst exponents approach to detect the scaling feature of financial time series.

Evaluating the Performance of the Goddard Multi-Scale Modeling Framework against GPM, TRMM and CloudSat/CALIPSO Products

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.; Lang, S. E.; Matsui, T.; Mohr, K. I.

2014-12-01

Four six-month (March-August 2014) experiments with the Goddard Multi-scale Modeling Framework (MMF) were performed to study the impacts of different Goddard one-moment bulk microphysical schemes and large-scale forcings on the performance of the MMF. Recently a new Goddard one-moment bulk microphysics with four-ice classes (cloud ice, snow, graupel, and frozen drops/hail) has been developed based on cloud-resolving model simulations with large-scale forcings from field campaign observations. The new scheme has been successfully implemented to the MMF and two MMF experiments were carried out with this new scheme and the old three-ice classes (cloud ice, snow graupel) scheme. The MMF has global coverage and can rigorously evaluate microphysics performance for different cloud regimes. The results show MMF with the new scheme outperformed the old one. The MMF simulations are also strongly affected by the interaction between large-scale and cloud-scale processes. Two MMF sensitivity experiments with and without nudging large-scale forcings to those of ERA-Interim reanalysis were carried out to study the impacts of large-scale forcings. The model simulated mean and variability of surface precipitation, cloud types, cloud properties such as cloud amount, hydrometeors vertical profiles, and cloud water contents, etc. in different geographic locations and climate regimes are evaluated against GPM, TRMM, CloudSat/CALIPSO satellite observations. The Goddard MMF has also been coupled with the Goddard Satellite Data Simulation Unit (G-SDSU), a system with multi-satellite, multi-sensor, and multi-spectrum satellite simulators. The statistics of MMF simulated radiances and backscattering can be directly compared with satellite observations to assess the strengths and/or deficiencies of MMF simulations and provide guidance on how to improve the MMF and microphysics.

Spectral solver for multi-scale plasma physics simulations with dynamically adaptive number of moments

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

Vencels, Juris; Delzanno, Gian Luca; Johnson, Alec

2015-06-01

A spectral method for kinetic plasma simulations based on the expansion of the velocity distribution function in a variable number of Hermite polynomials is presented. The method is based on a set of non-linear equations that is solved to determine the coefficients of the Hermite expansion satisfying the Vlasov and Poisson equations. In this paper, we first show that this technique combines the fluid and kinetic approaches into one framework. Second, we present an adaptive strategy to increase and decrease the number of Hermite functions dynamically during the simulation. The technique is applied to the Landau damping and two-stream instabilitymore » test problems. Performance results show 21% and 47% saving of total simulation time in the Landau and two-stream instability test cases, respectively.« less

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

NASA Astrophysics Data System (ADS)

Thompson, Aidan P.; Shan, Tzu-Ray

2014-05-01

Ammonium nitrate mixed with fuel oil (ANFO) is a commonly used blasting agent. In this paper we investigated the shock properties of pure ammonium nitrate (AN) and two different mixtures of ammonium nitrate and n-dodecane by characterizing their Hugoniot states. We simulated shock compression of pure AN and ANFO mixtures using the Multi-scale Shock Technique, and observed differences in chemical reaction. We also performed a large-scale explicit sub-threshold shock of AN crystal with a 10 nm void filled with 4.4 wt% of n-dodecane. We observed the formation of hotspots and enhanced reactivity at the interface region between AN and n-dodecane molecules.

Reduced Order Model Implementation in the Risk-Informed Safety Margin Characterization Toolkit

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

Mandelli, Diego; Smith, Curtis L.; Alfonsi, Andrea

2015-09-01

The RISMC project aims to develop new advanced simulation-based tools to perform Probabilistic Risk Analysis (PRA) for the existing fleet of U.S. nuclear power plants (NPPs). These tools numerically model not only the thermo-hydraulic behavior of the reactor primary and secondary systems but also external events temporal evolution and components/system ageing. Thus, this is not only a multi-physics problem but also a multi-scale problem (both spatial, µm-mm-m, and temporal, ms-s-minutes-years). As part of the RISMC PRA approach, a large amount of computationally expensive simulation runs are required. An important aspect is that even though computational power is regularly growing, themore » overall computational cost of a RISMC analysis may be not viable for certain cases. A solution that is being evaluated is the use of reduce order modeling techniques. During the FY2015, we investigated and applied reduced order modeling techniques to decrease the RICM analysis computational cost by decreasing the number of simulations runs to perform and employ surrogate models instead of the actual simulation codes. This report focuses on the use of reduced order modeling techniques that can be applied to any RISMC analysis to generate, analyze and visualize data. In particular, we focus on surrogate models that approximate the simulation results but in a much faster time (µs instead of hours/days). We apply reduced order and surrogate modeling techniques to several RISMC types of analyses using RAVEN and RELAP-7 and show the advantages that can be gained.« less

Pore-scale Simulation and Imaging of Multi-phase Flow and Transport in Porous Media (Invited)

NASA Astrophysics Data System (ADS)

Crawshaw, J.; Welch, N.; Daher, I.; Yang, J.; Shah, S.; Grey, F.; Boek, E.

2013-12-01

We combine multi-scale imaging and computer simulation of multi-phase flow and reactive transport in rock samples to enhance our fundamental understanding of long term CO2 storage in rock formations. The imaging techniques include Confocal Laser Scanning Microscopy (CLSM), micro-CT and medical CT scanning, with spatial resolutions ranging from sub-micron to mm respectively. First, we report a new sample preparation technique to study micro-porosity in carbonates using CLSM in 3 dimensions. Second, we use micro-CT scanning to generate high resolution 3D pore space images of carbonate and cap rock samples. In addition, we employ micro-CT to image the processes of evaporation in fractures and cap rock degradation due to exposure to CO2 flow. Third, we use medical CT scanning to image spontaneous imbibition in carbonate rock samples. Our imaging studies are complemented by computer simulations of multi-phase flow and transport, using the 3D pore space images obtained from the scanning experiments. We have developed a massively parallel lattice-Boltzmann (LB) code to calculate the single phase flow field in these pore space images. The resulting flow fields are then used to calculate hydrodynamic dispersion using a novel scheme to predict probability distributions for molecular displacements using the LB method and a streamline algorithm, modified for optimal solid boundary conditions. We calculate solute transport on pore-space images of rock cores with increasing degree of heterogeneity: a bead pack, Bentheimer sandstone and Portland carbonate. We observe that for homogeneous rock samples, such as bead packs, the displacement distribution remains Gaussian with time increasing. In the more heterogeneous rocks, on the other hand, the displacement distribution develops a stagnant part. We observe that the fraction of trapped solute increases from the beadpack (0 %) to Bentheimer sandstone (1.5 %) to Portland carbonate (8.1 %), in excellent agreement with PFG-NMR experiments. We then use our preferred multi-phase model to directly calculate flow in pore space images of two different sandstones and observe excellent agreement with experimental relative permeabilities. Also we calculate cluster size distributions in good agreement with experimental studies. Our analysis shows that the simulations are able to predict both multi-phase flow and transport properties directly on large 3D pore space images of real rocks. Pore space images, left and velocity distributions, right (Yang and Boek, 2013)

Exploration of Force Transition in Stability Operations Using Multi-Agent Simulation

DTIC Science & Technology

2006-09-01

risk, mission failure risk, and time in the context of the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming...NUMBER OF PAGES 173 14. SUBJECT TERMS Stability Operations, Peace Operations, Data Farming, Pythagoras , Agent- Based Model, Multi-Agent Simulation...the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming techniques are used to investigate force-level

Structure identification methods for atomistic simulations of crystalline materials

DOE PAGES

Stukowski, Alexander

2012-05-28

Here, we discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis algorithms such as common neighbor analysis (CNA), centrosymmetry analysis, bond angle analysis, bond order analysis and Voronoi analysis. In addition we propose a simple extension to the CNA method that makes it suitable for multi-phase systems. Finally, we introduce a new structure identification algorithm, the neighbor distance analysis, which is designed to identify atomic structure units in grain boundaries.

Multi-Frequency Signal Detection Based on Frequency Exchange and Re-Scaling Stochastic Resonance and Its Application to Weak Fault Diagnosis.

PubMed

Liu, Jinjun; Leng, Yonggang; Lai, Zhihui; Fan, Shengbo

2018-04-25

Mechanical fault diagnosis usually requires not only identification of the fault characteristic frequency, but also detection of its second and/or higher harmonics. However, it is difficult to detect a multi-frequency fault signal through the existing Stochastic Resonance (SR) methods, because the characteristic frequency of the fault signal as well as its second and higher harmonics frequencies tend to be large parameters. To solve the problem, this paper proposes a multi-frequency signal detection method based on Frequency Exchange and Re-scaling Stochastic Resonance (FERSR). In the method, frequency exchange is implemented using filtering technique and Single SideBand (SSB) modulation. This new method can overcome the limitation of "sampling ratio" which is the ratio of the sampling frequency to the frequency of target signal. It also ensures that the multi-frequency target signals can be processed to meet the small-parameter conditions. Simulation results demonstrate that the method shows good performance for detecting a multi-frequency signal with low sampling ratio. Two practical cases are employed to further validate the effectiveness and applicability of this method.

Multi-fidelity methods for uncertainty quantification in transport problems

NASA Astrophysics Data System (ADS)

Tartakovsky, G.; Yang, X.; Tartakovsky, A. M.; Barajas-Solano, D. A.; Scheibe, T. D.; Dai, H.; Chen, X.

2016-12-01

We compare several multi-fidelity approaches for uncertainty quantification in flow and transport simulations that have a lower computational cost than the standard Monte Carlo method. The cost reduction is achieved by combining a small number of high-resolution (high-fidelity) simulations with a large number of low-resolution (low-fidelity) simulations. We propose a new method, a re-scaled Multi Level Monte Carlo (rMLMC) method. The rMLMC is based on the idea that the statistics of quantities of interest depends on scale/resolution. We compare rMLMC with existing multi-fidelity methods such as Multi Level Monte Carlo (MLMC) and reduced basis methods and discuss advantages of each approach.

Multi-scale gyrokinetic simulation of Alcator C-Mod tokamak discharges

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

Howard, N. T., E-mail: nthoward@psfc.mit.edu; White, A. E.; Greenwald, M.

2014-03-15

Alcator C-Mod tokamak discharges have been studied with nonlinear gyrokinetic simulation simultaneously spanning both ion and electron spatiotemporal scales. These multi-scale simulations utilized the gyrokinetic model implemented by GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] and the approximation of reduced electron mass (μ = (m{sub D}/m{sub e}){sup .5} = 20.0) to qualitatively study a pair of Alcator C-Mod discharges: a low-power discharge, previously demonstrated (using realistic mass, ion-scale simulation) to display an under-prediction of the electron heat flux and a high-power discharge displaying agreement with both ion and electron heat flux channels [N. T. Howard et al.,more » Nucl. Fusion 53, 123011 (2013)]. These multi-scale simulations demonstrate the importance of electron-scale turbulence in the core of conventional tokamak discharges and suggest it is a viable candidate for explaining the observed under-prediction of electron heat flux. In this paper, we investigate the coupling of turbulence at the ion (k{sub θ}ρ{sub s}∼O(1.0)) and electron (k{sub θ}ρ{sub e}∼O(1.0)) scales for experimental plasma conditions both exhibiting strong (high-power) and marginally stable (low-power) low-k (k{sub θ}ρ{sub s} < 1.0) turbulence. It is found that reduced mass simulation of the plasma exhibiting marginally stable low-k turbulence fails to provide even qualitative insight into the turbulence present in the realistic plasma conditions. In contrast, multi-scale simulation of the plasma condition exhibiting strong turbulence provides valuable insight into the coupling of the ion and electron scales.« less

Numerical Investigations of Two Typical Unsteady Flows in Turbomachinery Using the Multi-Passage Model

NASA Astrophysics Data System (ADS)

Zhou, Di; Lu, Zhiliang; Guo, Tongqing; Shen, Ennan

2016-06-01

In this paper, the research on two types of unsteady flow problems in turbomachinery including blade flutter and rotor-stator interaction is made by means of numerical simulation. For the former, the energy method is often used to predict the aeroelastic stability by calculating the aerodynamic work per vibration cycle. The inter-blade phase angle (IBPA) is an important parameter in computation and may have significant effects on aeroelastic behavior. For the latter, the numbers of blades in each row are usually not equal and the unsteady rotor-stator interactions could be strong. An effective way to perform multi-row calculations is the domain scaling method (DSM). These two cases share a common point that the computational domain has to be extended to multi passages (MP) considering their respective features. The present work is aimed at modeling these two issues with the developed MP model. Computational fluid dynamics (CFD) technique is applied to resolve the unsteady Reynolds-averaged Navier-Stokes (RANS) equations and simulate the flow fields. With the parallel technique, the additional time cost due to modeling more passages can be largely decreased. Results are presented on two test cases including a vibrating rotor blade and a turbine stage.

Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Understanding Nano-scale Electronic Systems via Large-scale Computation

NASA Astrophysics Data System (ADS)

Cao, Chao

2009-03-01

Nano-scale physical phenomena and processes, especially those in electronics, have drawn great attention in the past decade. Experiments have shown that electronic and transport properties of functionalized carbon nanotubes are sensitive to adsorption of gas molecules such as H2, NO2, and NH3. Similar measurements have also been performed to study adsorption of proteins on other semiconductor nano-wires. These experiments suggest that nano-scale systems can be useful for making future chemical and biological sensors. Aiming to understand the physical mechanisms underlying and governing property changes at nano-scale, we start off by investigating, via first-principles method, the electronic structure of Pd-CNT before and after hydrogen adsorption, and continue with coherent electronic transport using non-equilibrium Green’s function techniques combined with density functional theory. Once our results are fully analyzed they can be used to interpret and understand experimental data, with a few difficult issues to be addressed. Finally, we discuss a newly developed multi-scale computing architecture, OPAL, that coordinates simultaneous execution of multiple codes. Inspired by the capabilities of this computing framework, we present a scenario of future modeling and simulation of multi-scale, multi-physical processes.

Multi-scale imaging and elastic simulation of carbonates

NASA Astrophysics Data System (ADS)

Faisal, Titly Farhana; Awedalkarim, Ahmed; Jouini, Mohamed Soufiane; Jouiad, Mustapha; Chevalier, Sylvie; Sassi, Mohamed

2016-05-01

Digital Rock Physics (DRP) is an emerging technology that can be used to generate high quality, fast and cost effective special core analysis (SCAL) properties compared to conventional experimental techniques and modeling techniques. The primary workflow of DRP conssits of three elements: 1) image the rock sample using high resolution 3D scanning techniques (e.g. micro CT, FIB/SEM), 2) process and digitize the images by segmenting the pore and matrix phases 3) simulate the desired physical properties of the rocks such as elastic moduli and velocities of wave propagation. A Finite Element Method based algorithm, that discretizes the basic Hooke's Law equation of linear elasticity and solves it numerically using a fast conjugate gradient solver, developed by Garboczi and Day [1] is used for mechanical and elastic property simulations. This elastic algorithm works directly on the digital images by treating each pixel as an element. The images are assumed to have periodic constant-strain boundary condition. The bulk and shear moduli of the different phases are required inputs. For standard 1.5" diameter cores however the Micro-CT scanning reoslution (around 40 μm) does not reveal smaller micro- and nano- pores beyond the resolution. This results in an unresolved "microporous" phase, the moduli of which is uncertain. Knackstedt et al. [2] assigned effective elastic moduli to the microporous phase based on self-consistent theory (which gives good estimation of velocities for well cemented granular media). Jouini et al. [3] segmented the core plug CT scan image into three phases and assumed that micro porous phase is represented by a sub-extracted micro plug (which too was scanned using Micro-CT). Currently the elastic numerical simulations based on CT-images alone largely overpredict the bulk, shear and Young's modulus when compared to laboratory acoustic tests of the same rocks. For greater accuracy of numerical simulation prediction, better estimates of moduli inputs for this current unresolved phase is important. In this work we take a multi-scale imaging approach by first extracting a smaller 0.5" core and scanning at approx 13 µm, then further extracting a 5mm diameter core scanned at 5 μm. From this last scale, region of interests (containing unresolved areas) are identified for scanning at higher resolutions using Focalised Ion Beam (FIB/SEM) scanning technique reaching 50 nm resolution. Numerical simulation is run on such a small unresolved section to obtain a better estimate of the effective moduli which is then used as input for simulations performed using CT-images. Results are compared with expeirmental acoustic test moduli obtained also at two scales: 1.5" and 0.5" diameter cores.

Multi-scale Modeling of Plasticity in Tantalum.

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

Lim, Hojun; Battaile, Corbett Chandler.; Carroll, Jay

In this report, we present a multi-scale computational model to simulate plastic deformation of tantalum and validating experiments. In atomistic/ dislocation level, dislocation kink- pair theory is used to formulate temperature and strain rate dependent constitutive equations. The kink-pair theory is calibrated to available data from single crystal experiments to produce accurate and convenient constitutive laws. The model is then implemented into a BCC crystal plasticity finite element method (CP-FEM) model to predict temperature and strain rate dependent yield stresses of single and polycrystalline tantalum and compared with existing experimental data from the literature. Furthermore, classical continuum constitutive models describingmore » temperature and strain rate dependent flow behaviors are fit to the yield stresses obtained from the CP-FEM polycrystal predictions. The model is then used to conduct hydro- dynamic simulations of Taylor cylinder impact test and compared with experiments. In order to validate the proposed tantalum CP-FEM model with experiments, we introduce a method for quantitative comparison of CP-FEM models with various experimental techniques. To mitigate the effects of unknown subsurface microstructure, tantalum tensile specimens with a pseudo-two-dimensional grain structure and grain sizes on the order of millimeters are used. A technique combining an electron back scatter diffraction (EBSD) and high resolution digital image correlation (HR-DIC) is used to measure the texture and sub-grain strain fields upon uniaxial tensile loading at various applied strains. Deformed specimens are also analyzed with optical profilometry measurements to obtain out-of- plane strain fields. These high resolution measurements are directly compared with large-scale CP-FEM predictions. This computational method directly links fundamental dislocation physics to plastic deformations in the grain-scale and to the engineering-scale applications. Furthermore, direct and quantitative comparisons between experimental measurements and simulation show that the proposed model accurately captures plasticity in deformation of polycrystalline tantalum.« less

FY10 Report on Multi-scale Simulation of Solvent Extraction Processes: Molecular-scale and Continuum-scale Studies

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

Wardle, Kent E.; Frey, Kurt; Pereira, Candido

2014-02-02

This task is aimed at predictive modeling of solvent extraction processes in typical extraction equipment through multiple simulation methods at various scales of resolution. We have conducted detailed continuum fluid dynamics simulation on the process unit level as well as simulations of the molecular-level physical interactions which govern extraction chemistry. Through combination of information gained through simulations at each of these two tiers along with advanced techniques such as the Lattice Boltzmann Method (LBM) which can bridge these two scales, we can develop the tools to work towards predictive simulation for solvent extraction on the equipment scale (Figure 1). Themore » goal of such a tool-along with enabling optimized design and operation of extraction units-would be to allow prediction of stage extraction effrciency under specified conditions. Simulation efforts on each of the two scales will be described below. As the initial application of FELBM in the work performed during FYl0 has been on annular mixing it will be discussed in context of the continuum-scale. In the future, however, it is anticipated that the real value of FELBM will be in its use as a tool for sub-grid model development through highly refined DNS-like multiphase simulations facilitating exploration and development of droplet models including breakup and coalescence which will be needed for the large-scale simulations where droplet level physics cannot be resolved. In this area, it can have a significant advantage over traditional CFD methods as its high computational efficiency allows exploration of significantly greater physical detail especially as computational resources increase in the future.« less

Multi-scale simulation of quantum dot formation in Al/Al (110) homoepitaxy

NASA Astrophysics Data System (ADS)

Tiwary, Yogesh; Fichthorn, Kristen

2007-03-01

In experimental studies of Al(110) homoepitaxy, it is observed that over a certain temperature window (330-500K), 3D huts, up to 50 nm high with well defined and smooth (111) and (100) facets, form and self-organize over the micron scale [1]. The factors leading to this kinetic self-organization are currently unclear. To understand how these structures form and evolve, we simulated multi-layer, homoepitaxial growth on Al(110) using ab initio kinetic Monte Carlo (KMC). At the high temperatures, where nano-huts form, the KMC simulations are slow. To tackle this problem, we use a technique developed by Devita & Sander [2], in which isolated adatoms make multiple moves in one step. We achieve high efficiency with this algorithm and we explore very high temperatures on large simulation lattices. We uncover a variety of interesting morphologies (Ripples, mounds, smooth surface, huts) that depend on the growth temperature. By varying the barriers for various rate processes, we discern the factors that determine hut sizes, aspect ratios, and self-organization. [1] F. Buatier de Mongeot, W. Zhu, A. Molle, R. Buzio, C. Boragno, U. Valbusa, E. Wang, and Z. Zhang, Phys. Rev. Lett. 91, 016102 (2003). [2] J.P. Devita & L.M. Sander, Phys. Rev. B 72, 205421 (2005).

Modeling process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-02-01

This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.

A Langevin approach to multi-scale modeling

DOE PAGES

Hirvijoki, Eero

2018-04-13

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this paper, we propose a multi-scale method which allowsmore » us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. Finally, this allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.« less

A Langevin approach to multi-scale modeling

NASA Astrophysics Data System (ADS)

Hirvijoki, Eero

2018-04-01

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this letter, we propose a multi-scale method which allows us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. This allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.

A Langevin approach to multi-scale modeling

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

Hirvijoki, Eero

In plasmas, distribution functions often demonstrate long anisotropic tails or otherwise significant deviations from local Maxwellians. The tails, especially if they are pulled out from the bulk, pose a serious challenge for numerical simulations as resolving both the bulk and the tail on the same mesh is often challenging. A multi-scale approach, providing evolution equations for the bulk and the tail individually, could offer a resolution in the sense that both populations could be treated on separate meshes or different reduction techniques applied to the bulk and the tail population. In this paper, we propose a multi-scale method which allowsmore » us to split a distribution function into a bulk and a tail so that both populations remain genuine, non-negative distribution functions and may carry density, momentum, and energy. The proposed method is based on the observation that the motion of an individual test particle in a plasma obeys a stochastic differential equation, also referred to as a Langevin equation. Finally, this allows us to define transition probabilities between the bulk and the tail and to provide evolution equations for both populations separately.« less

Structural health monitoring using DOG multi-scale space: an approach for analyzing damage characteristics

NASA Astrophysics Data System (ADS)

Guo, Tian; Xu, Zili

2018-03-01

Measurement noise is inevitable in practice; thus, it is difficult to identify defects, cracks or damage in a structure while suppressing noise simultaneously. In this work, a novel method is introduced to detect multiple damage in noisy environments. Based on multi-scale space analysis for discrete signals, a method for extracting damage characteristics from the measured displacement mode shape is illustrated. Moreover, the proposed method incorporates a data fusion algorithm to further eliminate measurement noise-based interference. The effectiveness of the method is verified by numerical and experimental methods applied to different structural types. The results demonstrate that there are two advantages to the proposed method. First, damage features are extracted by the difference of the multi-scale representation; this step is taken such that the interference of noise amplification can be avoided. Second, a data fusion technique applied to the proposed method provides a global decision, which retains the damage features while maximally eliminating the uncertainty. Monte Carlo simulations are utilized to validate that the proposed method has a higher accuracy in damage detection.

Multi-scale Pore Imaging Techniques to Characterise Heterogeneity Effects on Flow in Carbonate Rock

NASA Astrophysics Data System (ADS)

Shah, S. M.

2017-12-01

Digital rock analysis and pore-scale studies have become an essential tool in the oil and gas industry to understand and predict the petrophysical and multiphase flow properties for the assessment and exploitation of hydrocarbon reserves. Carbonate reservoirs, accounting for majority of the world's hydrocarbon reserves, are well known for their heterogeneity and multiscale pore characteristics. The pore sizes in carbonate rock can vary over orders of magnitudes, the geometry and topology parameters of pores at different scales have a great impact on flow properties. A pore-scale study is often comprised of two key procedures: 3D pore-scale imaging and numerical modelling techniques. The fundamental problem in pore-scale imaging and modelling is how to represent and model the different range of scales encountered in porous media, from the pore-scale to macroscopic petrophysical and multiphase flow properties. However, due to the restrictions of image size vs. resolution, the desired detail is rarely captured at the relevant length scales using any single imaging technique. Similarly, direct simulations of transport properties in heterogeneous rocks with broad pore size distributions are prohibitively expensive computationally. In this study, we present the advances and review the practical limitation of different imaging techniques varying from core-scale (1mm) using Medical Computed Tomography (CT) to pore-scale (10nm - 50µm) using Micro-CT, Confocal Laser Scanning Microscopy (CLSM) and Focussed Ion Beam (FIB) to characterise the complex pore structure in Ketton carbonate rock. The effect of pore structure and connectivity on the flow properties is investigated using the obtained pore scale images of Ketton carbonate using Pore Network and Lattice-Boltzmann simulation methods in comparison with experimental data. We also shed new light on the existence and size of the Representative Element of Volume (REV) capturing the different scales of heterogeneity from the pore-scale imaging.

Multiple Point Statistics algorithm based on direct sampling and multi-resolution images

NASA Astrophysics Data System (ADS)

Julien, S.; Renard, P.; Chugunova, T.

2017-12-01

Multiple Point Statistics (MPS) has become popular for more than one decade in Earth Sciences, because these methods allow to generate random fields reproducing highly complex spatial features given in a conceptual model, the training image, while classical geostatistics techniques based on bi-point statistics (covariance or variogram) fail to generate realistic models. Among MPS methods, the direct sampling consists in borrowing patterns from the training image to populate a simulation grid. This latter is sequentially filled by visiting each of these nodes in a random order, and then the patterns, whose the number of nodes is fixed, become narrower during the simulation process, as the simulation grid is more densely informed. Hence, large scale structures are caught in the beginning of the simulation and small scale ones in the end. However, MPS may mix spatial characteristics distinguishable at different scales in the training image, and then loose the spatial arrangement of different structures. To overcome this limitation, we propose to perform MPS simulation using a decomposition of the training image in a set of images at multiple resolutions. Applying a Gaussian kernel onto the training image (convolution) results in a lower resolution image, and iterating this process, a pyramid of images depicting fewer details at each level is built, as it can be done in image processing for example to lighten the space storage of a photography. The direct sampling is then employed to simulate the lowest resolution level, and then to simulate each level, up to the finest resolution, conditioned to the level one rank coarser. This scheme helps reproduce the spatial structures at any scale of the training image and then generate more realistic models. We illustrate the method with aerial photographies (satellite images) and natural textures. Indeed, these kinds of images often display typical structures at different scales and are well-suited for MPS simulation techniques.

Application of ICME Methods for the Development of Rapid Manufacturing Technologies

NASA Astrophysics Data System (ADS)

Maiwald-Immer, T.; Göhler, T.; Fischersworring-Bunk, A.; Körner, C.; Osmanlic, F.; Bauereiß, A.

Rapid manufacturing technologies are lately gaining interest as alternative manufacturing method. Due to the large parameter sets applicable in these manufacturing methods and their impact on achievable material properties and quality, support of the manufacturing process development by the use of simulation is highly attractive. This is especially true for aerospace applications with their high quality demands and controlled scatter in the resulting material properties. The applicable simulation techniques to these manufacturing methods are manifold. The paper will focus on the melt pool simulation for a SLM (selective laser melting) process which was originally developed for EBM (electron beam melting). It will be discussed in the overall context of a multi-scale simulation within a virtual process chain.

A scalable parallel black oil simulator on distributed memory parallel computers

NASA Astrophysics Data System (ADS)

Wang, Kun; Liu, Hui; Chen, Zhangxin

2015-11-01

This paper presents our work on developing a parallel black oil simulator for distributed memory computers based on our in-house parallel platform. The parallel simulator is designed to overcome the performance issues of common simulators that are implemented for personal computers and workstations. The finite difference method is applied to discretize the black oil model. In addition, some advanced techniques are employed to strengthen the robustness and parallel scalability of the simulator, including an inexact Newton method, matrix decoupling methods, and algebraic multigrid methods. A new multi-stage preconditioner is proposed to accelerate the solution of linear systems from the Newton methods. Numerical experiments show that our simulator is scalable and efficient, and is capable of simulating extremely large-scale black oil problems with tens of millions of grid blocks using thousands of MPI processes on parallel computers.

AB INITIO Molecular Dynamics Simulations of Water Under Static and Shock Compressed Conditions

NASA Astrophysics Data System (ADS)

Goldman, Nir; Fried, Laurence E.; Mundy, Christopher J.; Kuo, I.-F. William; Curioni, Alessandro; Reed, Evan J.

2007-12-01

We report herein a series of ab initio simulations of water under both static and shocked conditions. We have calculated the coherent x-ray scattering intensity of several phases of water under high pressure, using ab initio Density Functional Theory (DFT). We provide new atomic scattering form factors for water at extreme conditions, which take into account frequently neglected changes in ionic charge and electron delocalization. We have also simulated liquid water undergoing shock loading of velocities from 5-11 km/s using the Multi-Scale Shock Technique (MSST). We show that Density Functional Theory (DFT) molecular dynamics results compare extremely well to experiments on the water shock Hugoniot.

Multi-agent simulation of the von Thunen model formation mechanism

NASA Astrophysics Data System (ADS)

Tao, Haiyan; Li, Xia; Chen, Xiaoxiang; Deng, Chengbin

2008-10-01

This research tries to explain the internal driving forces of circular structure formation in urban geography via the simulation of interaction between individual behavior and market. On the premise of single city center, unchanged scale merit and complete competition, enterprise migration theory as well, an R-D algorithm, that has agents searched the best behavior rules in some given locations, is introduced with agent-based modeling technique. The experiment conducts a simulation on Swarm platform, whose result reflects and replays the formation process of Von Thünen circular structure. Introducing and considering some heterogeneous factors, such as traffic roads, the research verifies several landuse models and discusses the self-adjustment function of price mechanism.

Multi-Frequency Signal Detection Based on Frequency Exchange and Re-Scaling Stochastic Resonance and Its Application to Weak Fault Diagnosis

PubMed Central

Leng, Yonggang; Fan, Shengbo

2018-01-01

Mechanical fault diagnosis usually requires not only identification of the fault characteristic frequency, but also detection of its second and/or higher harmonics. However, it is difficult to detect a multi-frequency fault signal through the existing Stochastic Resonance (SR) methods, because the characteristic frequency of the fault signal as well as its second and higher harmonics frequencies tend to be large parameters. To solve the problem, this paper proposes a multi-frequency signal detection method based on Frequency Exchange and Re-scaling Stochastic Resonance (FERSR). In the method, frequency exchange is implemented using filtering technique and Single SideBand (SSB) modulation. This new method can overcome the limitation of "sampling ratio" which is the ratio of the sampling frequency to the frequency of target signal. It also ensures that the multi-frequency target signals can be processed to meet the small-parameter conditions. Simulation results demonstrate that the method shows good performance for detecting a multi-frequency signal with low sampling ratio. Two practical cases are employed to further validate the effectiveness and applicability of this method. PMID:29693577

GPU-based Space Situational Awareness Simulation utilising Parallelism for Enhanced Multi-sensor Management

NASA Astrophysics Data System (ADS)

Hobson, T.; Clarkson, V.

2012-09-01

As a result of continual space activity since the 1950s, there are now a large number of man-made Resident Space Objects (RSOs) orbiting the Earth. Because of the large number of items and their relative speeds, the possibility of destructive collisions involving important space assets is now of significant concern to users and operators of space-borne technologies. As a result, a growing number of international agencies are researching methods for improving techniques to maintain Space Situational Awareness (SSA). Computer simulation is a method commonly used by many countries to validate competing methodologies prior to full scale adoption. The use of supercomputing and/or reduced scale testing is often necessary to effectively simulate such a complex problem on todays computers. Recently the authors presented a simulation aimed at reducing the computational burden by selecting the minimum level of fidelity necessary for contrasting methodologies and by utilising multi-core CPU parallelism for increased computational efficiency. The resulting simulation runs on a single PC while maintaining the ability to effectively evaluate competing methodologies. Nonetheless, the ability to control the scale and expand upon the computational demands of the sensor management system is limited. In this paper, we examine the advantages of increasing the parallelism of the simulation by means of General Purpose computing on Graphics Processing Units (GPGPU). As many sub-processes pertaining to SSA management are independent, we demonstrate how parallelisation via GPGPU has the potential to significantly enhance not only research into techniques for maintaining SSA, but also to enhance the level of sophistication of existing space surveillance sensors and sensor management systems. Nonetheless, the use of GPGPU imposes certain limitations and adds to the implementation complexity, both of which require consideration to achieve an effective system. We discuss these challenges and how they can be overcome. We further describe an application of the parallelised system where visibility prediction is used to enhance sensor management. This facilitates significant improvement in maximum catalogue error when RSOs become temporarily unobservable. The objective is to demonstrate the enhanced scalability and increased computational capability of the system.

Simulating the Thermal Response of High Explosives on Time Scales of Days to Microseconds

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.

2004-07-01

We present an overview of computational techniques for simulating the thermal cookoff of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the response of energetic materials systems exposed to extreme thermal environments, such as fires. We consider an idealized model process for a confined explosive involving the transition from slow heating to rapid deflagration in which the time scale changes from days to hundreds of microseconds. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics.

Simulations of Tornadoes, Tropical Cyclones, MJOs, and QBOs, using GFDL's multi-scale global climate modeling system

NASA Astrophysics Data System (ADS)

Lin, Shian-Jiann; Harris, Lucas; Chen, Jan-Huey; Zhao, Ming

2014-05-01

A multi-scale High-Resolution Atmosphere Model (HiRAM) is being developed at NOAA/Geophysical Fluid Dynamics Laboratory. The model's dynamical framework is the non-hydrostatic extension of the vertically Lagrangian finite-volume dynamical core (Lin 2004, Monthly Wea. Rev.) constructed on a stretchable (via Schmidt transformation) cubed-sphere grid. Physical parametrizations originally designed for IPCC-type climate predictions are in the process of being modified and made more "scale-aware", in an effort to make the model suitable for multi-scale weather-climate applications, with horizontal resolution ranging from 1 km (near the target high-resolution region) to as low as 400 km (near the antipodal point). One of the main goals of this development is to enable simulation of high impact weather phenomena (such as tornadoes, thunderstorms, category-5 hurricanes) within an IPCC-class climate modeling system previously thought impossible. We will present preliminary results, covering a very wide spectrum of temporal-spatial scales, ranging from simulation of tornado genesis (hours), Madden-Julian Oscillations (intra-seasonal), topical cyclones (seasonal), to Quasi Biennial Oscillations (intra-decadal), using the same global multi-scale modeling system.

Experimental and Numerical Analysis of Hydroformed Tubular Materials for Superconducting Radio Frequency (SRF) Cavities

NASA Astrophysics Data System (ADS)

Kim, Hyun Sung

Superconducting radio frequency (SRF) cavities represent a well established technology benefiting from some 40 years of research and development. An increasing demand for electron and positron accelerators leads to a continuing interest in improved cavity performance and fabrication techniques. Therefore, several seamless cavity fabrication techniques have been proposed for eliminating the multitude of electron-beam welded seams that contribute to the introduction of performance-reducing defects. Among them, hydroforming using hydraulic pressure is a promising fabrication technique for producing the desired seamless cavities while at the same time reducing manufacturing cost. This study focused on experimental and numerical analysis of hydroformed niobium (Nb) tubes for the successful application of hydroforming technique to the seamless fabrication of multi-cell SRF cavities for particle acceleration. The heat treatment, tensile testing, and bulge testing of Cu and Nb tubes has been carried out to both provide starting data for models of hydroforming of Nb tube into seamless SRF cavities. Based on the results of these experiments, numerical analyses using finite element modeling were conducted for a bulge deformation of Cu and Nb. In the experimental part of the study samples removed from representative tubes were prepared for heat treatment, tensile testing, residual resistance ratio (RRR) measurement, and orientation imaging electron microscopy (OIM). After being optimally heat treated Cu and Nb tubes were subjected to hydraulic bulge testing and the results analyzed. For numerical analysis of hydroforming process, two different simulation approaches were used. The first model was the macro-scale continuum model using the constitutive equations (stress-strain relationship) as an input of the simulation. The constitutive equations were obtained from the experimental procedure including tensile and tube bulge tests in order to investigate the influence of loading condition on deformation behavior. The second model was a multi-scale model using both macroscopic continuum model and microscopic crystal plasticity (CP) model: First, the constitutive equation was obtained from the other microscopic simulation model (CP-FEM) using the microstructural information (i.e., orientation) of materials from the OIM and simple tensile test data. Continuum FE analysis based on the obtained constitutive equation using CP model were then fulfilled. Several conclusions can be drawn on the basis of the experimental and numerical analysis as follows: 1) The stress-strain relationship from the bulge test represents a more accurate description of the deformation behavior for a hydroforming than that from tensile tests made on segments cut from the tubular materials. 2) For anisotropic material, the incorporation of anisotropic effects using anisotropy coefficient from the tensile test led to even more accurate results. 3) A multi-scale simulation strategy using combination of continuum and CP models can give high quality predictions of the deformation under hydroforming of Cu and Nb tubes.

Multi-Scale Characterization of Orthotropic Microstructures

DTIC Science & Technology

2008-04-01

D. Valiveti, S. J. Harris, J. Boileau, A domain partitioning based pre-processor for multi-scale modelling of cast aluminium alloys , Modelling and...SUPPLEMENTARY NOTES Journal article submitted to Modeling and Simulation in Materials Science and Engineering. PAO Case Number: WPAFB 08-3362...element for charac- terization or simulation to avoid misleading predictions of macroscopic defor- mation, fracture, or transport behavior. Likewise

Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX

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

Lee, Kibaek; Stewart, D. Scott, E-mail: santc@illinois.edu, E-mail: dss@illinois.edu; Joshi, Kaushik

2016-05-14

We present a mirrored atomistic and continuum framework that is used to describe the ignition of energetic materials, and a high-pressure phase of RDX in particular. The continuum formulation uses meaningful averages of thermodynamic properties obtained from the atomistic simulation and a simplification of enormously complex reaction kinetics. In particular, components are identified based on molecular weight bin averages and our methodology assumes that both the averaged atomistic and continuum simulations are represented on the same time and length scales. The atomistic simulations of thermally initiated ignition of RDX are performed using reactive molecular dynamics (RMD). The continuum model ismore » based on multi-component thermodynamics and uses a kinetics scheme that describes observed chemical changes of the averaged atomistic simulations. Thus the mirrored continuum simulations mimic the rapid change in pressure, temperature, and average molecular weight of species in the reactive mixture. This mirroring enables a new technique to simplify the chemistry obtained from reactive MD simulations while retaining the observed features and spatial and temporal scales from both the RMD and continuum model. The primary benefit of this approach is a potentially powerful, but familiar way to interpret the atomistic simulations and understand the chemical events and reaction rates. The approach is quite general and thus can provide a way to model chemistry based on atomistic simulations and extend the reach of those simulations.« less

The Effect of Lateral Boundary Values on Atmospheric Mercury Simulations with the CMAQ Model

EPA Science Inventory

Simulation results from three global-scale models of atmospheric mercury have been used to define three sets of initial condition and boundary condition (IC/BC) data for regional-scale model simulations over North America using the Community Multi-scale Air Quality (CMAQ) model. ...

Extreme Scale Plasma Turbulence Simulations on Top Supercomputers Worldwide

DOE PAGES

Tang, William; Wang, Bei; Ethier, Stephane; ...

2016-11-01

The goal of the extreme scale plasma turbulence studies described in this paper is to expedite the delivery of reliable predictions on confinement physics in large magnetic fusion systems by using world-class supercomputers to carry out simulations with unprecedented resolution and temporal duration. This has involved architecture-dependent optimizations of performance scaling and addressing code portability and energy issues, with the metrics for multi-platform comparisons being 'time-to-solution' and 'energy-to-solution'. Realistic results addressing how confinement losses caused by plasma turbulence scale from present-day devices to the much larger $25 billion international ITER fusion facility have been enabled by innovative advances in themore » GTC-P code including (i) implementation of one-sided communication from MPI 3.0 standard; (ii) creative optimization techniques on Xeon Phi processors; and (iii) development of a novel performance model for the key kernels of the PIC code. Our results show that modeling data movement is sufficient to predict performance on modern supercomputer platforms.« less

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

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

Mai, Sebastian; Marquetand, Philipp; González, Leticia

2014-08-21

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbitmore » coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.« less

Challenge toward the prediction of typhoon behaviour and down pour

NASA Astrophysics Data System (ADS)

Takahashi, K.; Onishi, R.; Baba, Y.; Kida, S.; Matsuda, K.; Goto, K.; Fuchigami, H.

2013-08-01

Mechanisms of interactions among different scale phenomena play important roles for forecasting of weather and climate. Multi-scale Simulator for the Geoenvironment (MSSG), which deals with multi-scale multi-physics phenomena, is a coupled non-hydrostatic atmosphere-ocean model designed to be run efficiently on the Earth Simulator. We present simulation results with the world-highest 1.9km horizontal resolution for the entire globe and regional heavy rain with 1km horizontal resolution and 5m horizontal/vertical resolution for urban area simulation. To gain high performance by exploiting the system capabilities, we propose novel performance evaluation metrics introduced in previous studies that incorporate the effects of the data caching mechanism between CPU and memory. With a useful code optimization guideline based on such metrics, we demonstrate that MSSG can achieve an excellent peak performance ratio of 32.2% on the Earth Simulator with the single-core performance found to be a key to a reduced time-to-solution.

Remote visualization and scale analysis of large turbulence datatsets

NASA Astrophysics Data System (ADS)

Livescu, D.; Pulido, J.; Burns, R.; Canada, C.; Ahrens, J.; Hamann, B.

2015-12-01

Accurate simulations of turbulent flows require solving all the dynamically relevant scales of motions. This technique, called Direct Numerical Simulation, has been successfully applied to a variety of simple flows; however, the large-scale flows encountered in Geophysical Fluid Dynamics (GFD) would require meshes outside the range of the most powerful supercomputers for the foreseeable future. Nevertheless, the current generation of petascale computers has enabled unprecedented simulations of many types of turbulent flows which focus on various GFD aspects, from the idealized configurations extensively studied in the past to more complex flows closer to the practical applications. The pace at which such simulations are performed only continues to increase; however, the simulations themselves are restricted to a small number of groups with access to large computational platforms. Yet the petabytes of turbulence data offer almost limitless information on many different aspects of the flow, from the hierarchy of turbulence moments, spectra and correlations, to structure-functions, geometrical properties, etc. The ability to share such datasets with other groups can significantly reduce the time to analyze the data, help the creative process and increase the pace of discovery. Using the largest DOE supercomputing platforms, we have performed some of the biggest turbulence simulations to date, in various configurations, addressing specific aspects of turbulence production and mixing mechanisms. Until recently, the visualization and analysis of such datasets was restricted by access to large supercomputers. The public Johns Hopkins Turbulence database simplifies the access to multi-Terabyte turbulence datasets and facilitates turbulence analysis through the use of commodity hardware. First, one of our datasets, which is part of the database, will be described and then a framework that adds high-speed visualization and wavelet support for multi-resolution analysis of turbulence will be highlighted. The addition of wavelet support reduces the latency and bandwidth requirements for visualization, allowing for many concurrent users, and enables new types of analyses, including scale decomposition and coherent feature extraction.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Multi-Instance Learning Models for Automated Support of Analysts in Simulated Surveillance Environments

NASA Technical Reports Server (NTRS)

Birisan, Mihnea; Beling, Peter

2011-01-01

New generations of surveillance drones are being outfitted with numerous high definition cameras. The rapid proliferation of fielded sensors and supporting capacity for processing and displaying data will translate into ever more capable platforms, but with increased capability comes increased complexity and scale that may diminish the usefulness of such platforms to human operators. We investigate methods for alleviating strain on analysts by automatically retrieving content specific to their current task using a machine learning technique known as Multi-Instance Learning (MIL). We use MIL to create a real time model of the analysts' task and subsequently use the model to dynamically retrieve relevant content. This paper presents results from a pilot experiment in which a computer agent is assigned analyst tasks such as identifying caravanning vehicles in a simulated vehicle traffic environment. We compare agent performance between MIL aided trials and unaided trials.

Image-Based Reconstruction and Analysis of Dynamic Scenes in a Landslide Simulation Facility

NASA Astrophysics Data System (ADS)

Scaioni, M.; Crippa, J.; Longoni, L.; Papini, M.; Zanzi, L.

2017-12-01

The application of image processing and photogrammetric techniques to dynamic reconstruction of landslide simulations in a scaled-down facility is described. Simulations are also used here for active-learning purpose: students are helped understand how physical processes happen and which kinds of observations may be obtained from a sensor network. In particular, the use of digital images to obtain multi-temporal information is presented. On one side, using a multi-view sensor set up based on four synchronized GoPro 4 Black® cameras, a 4D (3D spatial position and time) reconstruction of the dynamic scene is obtained through the composition of several 3D models obtained from dense image matching. The final textured 4D model allows one to revisit in dynamic and interactive mode a completed experiment at any time. On the other side, a digital image correlation (DIC) technique has been used to track surface point displacements from the image sequence obtained from the camera in front of the simulation facility. While the 4D model may provide a qualitative description and documentation of the experiment running, DIC analysis output quantitative information such as local point displacements and velocities, to be related to physical processes and to other observations. All the hardware and software equipment adopted for the photogrammetric reconstruction has been based on low-cost and open-source solutions.

Reduced-complexity multi-site rainfall generation: one million years over night using the model TripleM

NASA Astrophysics Data System (ADS)

Breinl, Korbinian; Di Baldassarre, Giuliano; Girons Lopez, Marc

2017-04-01

We assess uncertainties of multi-site rainfall generation across spatial scales and different climatic conditions. Many research subjects in earth sciences such as floods, droughts or water balance simulations require the generation of long rainfall time series. In large study areas the simulation at multiple sites becomes indispensable to account for the spatial rainfall variability, but becomes more complex compared to a single site due to the intermittent nature of rainfall. Weather generators can be used for extrapolating rainfall time series, and various models have been presented in the literature. Even though the large majority of multi-site rainfall generators is based on similar methods, such as resampling techniques or Markovian processes, they often become too complex. We think that this complexity has been a limit for the application of such tools. Furthermore, the majority of multi-site rainfall generators found in the literature are either not publicly available or intended for being applied at small geographical scales, often only in temperate climates. Here we present a revised, and now publicly available, version of a multi-site rainfall generation code first applied in 2014 in Austria and France, which we call TripleM (Multisite Markov Model). We test this fast and robust code with daily rainfall observations from the United States, in a subtropical, tropical and temperate climate, using rain gauge networks with a maximum site distance above 1,000km, thereby generating one million years of synthetic time series. The modelling of these one million years takes one night on a recent desktop computer. In this research, we first start the simulations with a small station network of three sites and progressively increase the number of sites and the spatial extent, and analyze the changing uncertainties for multiple statistical metrics such as dry and wet spells, rainfall autocorrelation, lagged cross correlations and the inter-annual rainfall variability. Our study contributes to the scientific community of earth sciences and the ongoing debate on extreme precipitation in a changing climate by making a stable, and very easily applicable, multi-site rainfall generation code available to the research community and providing a better understanding of the performance of multi-site rainfall generation depending on spatial scales and climatic conditions.

Thermo-Oxidative Induced Damage in Polymer Composites: Microstructure Image-Based Multi-Scale Modeling and Experimental Validation

NASA Astrophysics Data System (ADS)

Hussein, Rafid M.; Chandrashekhara, K.

2017-11-01

A multi-scale modeling approach is presented to simulate and validate thermo-oxidation shrinkage and cracking damage of a high temperature polymer composite. The multi-scale approach investigates coupled transient diffusion-reaction and static structural at macro- to micro-scale. The micro-scale shrinkage deformation and cracking damage are simulated and validated using 2D and 3D simulations. Localized shrinkage displacement boundary conditions for the micro-scale simulations are determined from the respective meso- and macro-scale simulations, conducted for a cross-ply laminate. The meso-scale geometrical domain and the micro-scale geometry and mesh are developed using the object oriented finite element (OOF). The macro-scale shrinkage and weight loss are measured using unidirectional coupons and used to build the macro-shrinkage model. The cross-ply coupons are used to validate the macro-shrinkage model by the shrinkage profiles acquired using scanning electron images at the cracked surface. The macro-shrinkage model deformation shows a discrepancy when the micro-scale image-based cracking is computed. The local maximum shrinkage strain is assumed to be 13 times the maximum macro-shrinkage strain of 2.5 × 10-5, upon which the discrepancy is minimized. The microcrack damage of the composite is modeled using a static elastic analysis with extended finite element and cohesive surfaces by considering the modulus spatial evolution. The 3D shrinkage displacements are fed to the model using node-wise boundary/domain conditions of the respective oxidized region. Microcrack simulation results: length, meander, and opening are closely matched to the crack in the area of interest for the scanning electron images.

Extending the Multi-level Method for the Simulation of Stochastic Biological Systems.

PubMed

Lester, Christopher; Baker, Ruth E; Giles, Michael B; Yates, Christian A

2016-08-01

The multi-level method for discrete-state systems, first introduced by Anderson and Higham (SIAM Multiscale Model Simul 10(1):146-179, 2012), is a highly efficient simulation technique that can be used to elucidate statistical characteristics of biochemical reaction networks. A single point estimator is produced in a cost-effective manner by combining a number of estimators of differing accuracy in a telescoping sum, and, as such, the method has the potential to revolutionise the field of stochastic simulation. In this paper, we present several refinements of the multi-level method which render it easier to understand and implement, and also more efficient. Given the substantial and complex nature of the multi-level method, the first part of this work reviews existing literature, with the aim of providing a practical guide to the use of the multi-level method. The second part provides the means for a deft implementation of the technique and concludes with a discussion of a number of open problems.

Multi-physics CFD simulations in engineering

NASA Astrophysics Data System (ADS)

Yamamoto, Makoto

2013-08-01

Nowadays Computational Fluid Dynamics (CFD) software is adopted as a design and analysis tool in a great number of engineering fields. We can say that single-physics CFD has been sufficiently matured in the practical point of view. The main target of existing CFD software is single-phase flows such as water and air. However, many multi-physics problems exist in engineering. Most of them consist of flow and other physics, and the interactions between different physics are very important. Obviously, multi-physics phenomena are critical in developing machines and processes. A multi-physics phenomenon seems to be very complex, and it is so difficult to be predicted by adding other physics to flow phenomenon. Therefore, multi-physics CFD techniques are still under research and development. This would be caused from the facts that processing speed of current computers is not fast enough for conducting a multi-physics simulation, and furthermore physical models except for flow physics have not been suitably established. Therefore, in near future, we have to develop various physical models and efficient CFD techniques, in order to success multi-physics simulations in engineering. In the present paper, I will describe the present states of multi-physics CFD simulations, and then show some numerical results such as ice accretion and electro-chemical machining process of a three-dimensional compressor blade which were obtained in my laboratory. Multi-physics CFD simulations would be a key technology in near future.

Model-based framework for multi-axial real-time hybrid simulation testing

NASA Astrophysics Data System (ADS)

Fermandois, Gaston A.; Spencer, Billie F.

2017-10-01

Real-time hybrid simulation is an efficient and cost-effective dynamic testing technique for performance evaluation of structural systems subjected to earthquake loading with rate-dependent behavior. A loading assembly with multiple actuators is required to impose realistic boundary conditions on physical specimens. However, such a testing system is expected to exhibit significant dynamic coupling of the actuators and suffer from time lags that are associated with the dynamics of the servo-hydraulic system, as well as control-structure interaction (CSI). One approach to reducing experimental errors considers a multi-input, multi-output (MIMO) controller design, yielding accurate reference tracking and noise rejection. In this paper, a framework for multi-axial real-time hybrid simulation (maRTHS) testing is presented. The methodology employs a real-time feedback-feedforward controller for multiple actuators commanded in Cartesian coordinates. Kinematic transformations between actuator space and Cartesian space are derived for all six-degrees-offreedom of the moving platform. Then, a frequency domain identification technique is used to develop an accurate MIMO transfer function of the system. Further, a Cartesian-domain model-based feedforward-feedback controller is implemented for time lag compensation and to increase the robustness of the reference tracking for given model uncertainty. The framework is implemented using the 1/5th-scale Load and Boundary Condition Box (LBCB) located at the University of Illinois at Urbana- Champaign. To demonstrate the efficacy of the proposed methodology, a single-story frame subjected to earthquake loading is tested. One of the columns in the frame is represented physically in the laboratory as a cantilevered steel column. For realtime execution, the numerical substructure, kinematic transformations, and controllers are implemented on a digital signal processor. Results show excellent performance of the maRTHS framework when six-degrees-of-freedom are controlled at the interface between substructures.

A resilient and efficient CFD framework: Statistical learning tools for multi-fidelity and heterogeneous information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-09-01

Exascale-level simulations require fault-resilient algorithms that are robust against repeated and expected software and/or hardware failures during computations, which may render the simulation results unsatisfactory. If each processor can share some global information about the simulation from a coarse, limited accuracy but relatively costless auxiliary simulator we can effectively fill-in the missing spatial data at the required times by a statistical learning technique - multi-level Gaussian process regression, on the fly; this has been demonstrated in previous work [1]. Based on the previous work, we also employ another (nonlinear) statistical learning technique, Diffusion Maps, that detects computational redundancy in time and hence accelerate the simulation by projective time integration, giving the overall computation a "patch dynamics" flavor. Furthermore, we are now able to perform information fusion with multi-fidelity and heterogeneous data (including stochastic data). Finally, we set the foundations of a new framework in CFD, called patch simulation, that combines information fusion techniques from, in principle, multiple fidelity and resolution simulations (and even experiments) with a new adaptive timestep refinement technique. We present two benchmark problems (the heat equation and the Navier-Stokes equations) to demonstrate the new capability that statistical learning tools can bring to traditional scientific computing algorithms. For each problem, we rely on heterogeneous and multi-fidelity data, either from a coarse simulation of the same equation or from a stochastic, particle-based, more "microscopic" simulation. We consider, as such "auxiliary" models, a Monte Carlo random walk for the heat equation and a dissipative particle dynamics (DPD) model for the Navier-Stokes equations. More broadly, in this paper we demonstrate the symbiotic and synergistic combination of statistical learning, domain decomposition, and scientific computing in exascale simulations.

SPARK: A Framework for Multi-Scale Agent-Based Biomedical Modeling.

PubMed

Solovyev, Alexey; Mikheev, Maxim; Zhou, Leming; Dutta-Moscato, Joyeeta; Ziraldo, Cordelia; An, Gary; Vodovotz, Yoram; Mi, Qi

2010-01-01

Multi-scale modeling of complex biological systems remains a central challenge in the systems biology community. A method of dynamic knowledge representation known as agent-based modeling enables the study of higher level behavior emerging from discrete events performed by individual components. With the advancement of computer technology, agent-based modeling has emerged as an innovative technique to model the complexities of systems biology. In this work, the authors describe SPARK (Simple Platform for Agent-based Representation of Knowledge), a framework for agent-based modeling specifically designed for systems-level biomedical model development. SPARK is a stand-alone application written in Java. It provides a user-friendly interface, and a simple programming language for developing Agent-Based Models (ABMs). SPARK has the following features specialized for modeling biomedical systems: 1) continuous space that can simulate real physical space; 2) flexible agent size and shape that can represent the relative proportions of various cell types; 3) multiple spaces that can concurrently simulate and visualize multiple scales in biomedical models; 4) a convenient graphical user interface. Existing ABMs of diabetic foot ulcers and acute inflammation were implemented in SPARK. Models of identical complexity were run in both NetLogo and SPARK; the SPARK-based models ran two to three times faster.

Development of high-resolution multi-scale modelling system for simulation of coastal-fluvial urban flooding

NASA Astrophysics Data System (ADS)

Comer, Joanne; Indiana Olbert, Agnieszka; Nash, Stephen; Hartnett, Michael

2017-02-01

Urban developments in coastal zones are often exposed to natural hazards such as flooding. In this research, a state-of-the-art, multi-scale nested flood (MSN_Flood) model is applied to simulate complex coastal-fluvial urban flooding due to combined effects of tides, surges and river discharges. Cork city on Ireland's southwest coast is a study case. The flood modelling system comprises a cascade of four dynamically linked models that resolve the hydrodynamics of Cork Harbour and/or its sub-region at four scales: 90, 30, 6 and 2 m. Results demonstrate that the internalization of the nested boundary through the use of ghost cells combined with a tailored adaptive interpolation technique creates a highly dynamic moving boundary that permits flooding and drying of the nested boundary. This novel feature of MSN_Flood provides a high degree of choice regarding the location of the boundaries to the nested domain and therefore flexibility in model application. The nested MSN_Flood model through dynamic downscaling facilitates significant improvements in accuracy of model output without incurring the computational expense of high spatial resolution over the entire model domain. The urban flood model provides full characteristics of water levels and flow regimes necessary for flood hazard identification and flood risk assessment.

Multi-format all-optical processing based on a large-scale, hybridly integrated photonic circuit.

PubMed

Bougioukos, M; Kouloumentas, Ch; Spyropoulou, M; Giannoulis, G; Kalavrouziotis, D; Maziotis, A; Bakopoulos, P; Harmon, R; Rogers, D; Harrison, J; Poustie, A; Maxwell, G; Avramopoulos, H

2011-06-06

We investigate through numerical studies and experiments the performance of a large scale, silica-on-silicon photonic integrated circuit for multi-format regeneration and wavelength-conversion. The circuit encompasses a monolithically integrated array of four SOAs inside two parallel Mach-Zehnder structures, four delay interferometers and a large number of silica waveguides and couplers. Exploiting phase-incoherent techniques, the circuit is capable of processing OOK signals at variable bit rates, DPSK signals at 22 or 44 Gb/s and DQPSK signals at 44 Gbaud. Simulation studies reveal the wavelength-conversion potential of the circuit with enhanced regenerative capabilities for OOK and DPSK modulation formats and acceptable quality degradation for DQPSK format. Regeneration of 22 Gb/s OOK signals with amplified spontaneous emission (ASE) noise and DPSK data signals degraded with amplitude, phase and ASE noise is experimentally validated demonstrating a power penalty improvement up to 1.5 dB.

A Bandwidth-Optimized Multi-Core Architecture for Irregular Applications

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

Secchi, Simone; Tumeo, Antonino; Villa, Oreste

This paper presents an architecture template for next-generation high performance computing systems specifically targeted to irregular applications. We start our work by considering that future generation interconnection and memory bandwidth full-system numbers are expected to grow by a factor of 10. In order to keep up with such a communication capacity, while still resorting to fine-grained multithreading as the main way to tolerate unpredictable memory access latencies of irregular applications, we show how overall performance scaling can benefit from the multi-core paradigm. At the same time, we also show how such an architecture template must be coupled with specific techniquesmore » in order to optimize bandwidth utilization and achieve the maximum scalability. We propose a technique based on memory references aggregation, together with the related hardware implementation, as one of such optimization techniques. We explore the proposed architecture template by focusing on the Cray XMT architecture and, using a dedicated simulation infrastructure, validate the performance of our template with two typical irregular applications. Our experimental results prove the benefits provided by both the multi-core approach and the bandwidth optimization reference aggregation technique.« less

Comparison of Hyperspectral and Multispectral Satellites for Discriminating Land Cover in Northern California

NASA Astrophysics Data System (ADS)

Clark, M. L.; Kilham, N. E.

2015-12-01

Land-cover maps are important science products needed for natural resource and ecosystem service management, biodiversity conservation planning, and assessing human-induced and natural drivers of land change. Most land-cover maps at regional to global scales are produced with remote sensing techniques applied to multispectral satellite imagery with 30-500 m pixel sizes (e.g., Landsat, MODIS). Hyperspectral, or imaging spectrometer, imagery measuring the visible to shortwave infrared regions (VSWIR) of the spectrum have shown impressive capacity to map plant species and coarser land-cover associations, yet techniques have not been widely tested at regional and greater spatial scales. The Hyperspectral Infrared Imager (HyspIRI) mission is a VSWIR hyperspectral and thermal satellite being considered for development by NASA. The goal of this study was to assess multi-temporal, HyspIRI-like satellite imagery for improved land cover mapping relative to multispectral satellites. We mapped FAO Land Cover Classification System (LCCS) classes over 22,500 km2 in the San Francisco Bay Area, California using 30-m HyspIRI, Landsat 8 and Sentinel-2 imagery simulated from data acquired by NASA's AVIRIS airborne sensor. Random Forests (RF) and Multiple-Endmember Spectral Mixture Analysis (MESMA) classifiers were applied to the simulated images and accuracies were compared to those from real Landsat 8 images. The RF classifier was superior to MESMA, and multi-temporal data yielded higher accuracy than summer-only data. With RF, hyperspectral data had overall accuracy of 72.2% and 85.1% with full 20-class and reduced 12-class schemes, respectively. Multispectral imagery had lower accuracy. For example, simulated and real Landsat data had 7.5% and 4.6% lower accuracy than HyspIRI data with 12 classes, respectively. In summary, our results indicate increased mapping accuracy using HyspIRI multi-temporal imagery, particularly in discriminating different natural vegetation types, such as spectrally-mixed woodlands and forests.

Petascale Kinetic Simulations in Space Sciences: New Simulations and Data Discovery Techniques and Physics Results

NASA Astrophysics Data System (ADS)

Karimabadi, Homa

2012-03-01

Recent advances in simulation technology and hardware are enabling breakthrough science where many longstanding problems can now be addressed for the first time. In this talk, we focus on kinetic simulations of the Earth's magnetosphere and magnetic reconnection process which is the key mechanism that breaks the protective shield of the Earth's dipole field, allowing the solar wind to enter the Earth's magnetosphere. This leads to the so-called space weather where storms on the Sun can affect space-borne and ground-based technological systems on Earth. The talk will consist of three parts: (a) overview of a new multi-scale simulation technique where each computational grid is updated based on its own unique timestep, (b) Presentation of a new approach to data analysis that we refer to as Physics Mining which entails combining data mining and computer vision algorithms with scientific visualization to extract physics from the resulting massive data sets. (c) Presentation of several recent discoveries in studies of space plasmas including the role of vortex formation and resulting turbulence in magnetized plasmas.

Large Eddy Simulation of a Film Cooling Technique with a Plenum

NASA Astrophysics Data System (ADS)

Dharmarathne, Suranga; Sridhar, Narendran; Araya, Guillermo; Castillo, Luciano; Parameswaran, Sivapathasund

2012-11-01

Factors that affect the film cooling performance have been categorized into three main groups: (i) coolant & mainstream conditions, (ii) hole geometry & configuration, and (iii) airfoil geometry Bogard et al. (2006). The present study focuses on the second group of factors, namely, the modeling of coolant hole and the plenum. It is required to simulate correct physics of the problem to achieve more realistic numerical results. In this regard, modeling of cooling jet hole and the plenum chamber is highly important Iourokina et al. (2006). Substitution of artificial boundary conditions instead of correct plenum design would yield unrealistic results Iourokina et al. (2006). This study attempts to model film cooling technique with a plenum using a Large Eddy Simulation.Incompressible coolant jet ejects to the surface of the plate at an angle of 30° where it meets compressible turbulent boundary layer which simulates the turbine inflow conditions. Dynamic multi-scale approach Araya (2011) is introduced to prescribe turbulent inflow conditions. Simulations are carried out for two different blowing ratios and film cooling effectiveness is calculated for both cases. Results obtained from LES will be compared with experimental results.

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis

NASA Astrophysics Data System (ADS)

Hassan, M. A.; Mahmoodian, Reza; Hamdi, M.

2014-01-01

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration.

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis

PubMed Central

Hassan, M. A.; Mahmoodian, Reza; Hamdi, M.

2014-01-01

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration. PMID:24430621

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis.

PubMed

Hassan, M A; Mahmoodian, Reza; Hamdi, M

2014-01-16

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration.

Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid.

PubMed

Xiao, Li; Luo, Ray

2017-12-07

We explored a multi-scale algorithm for the Poisson-Boltzmann continuum solvent model for more robust simulations of biomolecules. In this method, the continuum solvent/solute interface is explicitly simulated with a numerical fluid dynamics procedure, which is tightly coupled to the solute molecular dynamics simulation. There are multiple benefits to adopt such a strategy as presented below. At this stage of the development, only nonelectrostatic interactions, i.e., van der Waals and hydrophobic interactions, are included in the algorithm to assess the quality of the solvent-solute interface generated by the new method. Nevertheless, numerical challenges exist in accurately interpolating the highly nonlinear van der Waals term when solving the finite-difference fluid dynamics equations. We were able to bypass the challenge rigorously by merging the van der Waals potential and pressure together when solving the fluid dynamics equations and by considering its contribution in the free-boundary condition analytically. The multi-scale simulation method was first validated by reproducing the solute-solvent interface of a single atom with analytical solution. Next, we performed the relaxation simulation of a restrained symmetrical monomer and observed a symmetrical solvent interface at equilibrium with detailed surface features resembling those found on the solvent excluded surface. Four typical small molecular complexes were then tested, both volume and force balancing analyses showing that these simple complexes can reach equilibrium within the simulation time window. Finally, we studied the quality of the multi-scale solute-solvent interfaces for the four tested dimer complexes and found that they agree well with the boundaries as sampled in the explicit water simulations.

Reliability of Multi-Category Rating Scales

ERIC Educational Resources Information Center

Parker, Richard I.; Vannest, Kimberly J.; Davis, John L.

2013-01-01

The use of multi-category scales is increasing for the monitoring of IEP goals, classroom and school rules, and Behavior Improvement Plans (BIPs). Although they require greater inference than traditional data counting, little is known about the inter-rater reliability of these scales. This simulation study examined the performance of nine…

Modeling the Webgraph: How Far We Are

NASA Astrophysics Data System (ADS)

Donato, Debora; Laura, Luigi; Leonardi, Stefano; Millozzi, Stefano

The following sections are included: * Introduction * Preliminaries * WebBase * In-degree and out-degree * PageRank * Bipartite cliques * Strongly connected components * Stochastic models of the webgraph * Models of the webgraph * A multi-layer model * Large scale simulation * Algorithmic techniques for generating and measuring webgraphs * Data representation and multifiles * Generating webgraphs * Traversal with two bits for each node * Semi-external breadth first search * Semi-external depth first search * Computation of the SCCs * Computation of the bow-tie regions * Disjoint bipartite cliques * PageRank * Summary and outlook

JIGSAW-GEO (1.0): Locally Orthogonal Staggered Unstructured Grid Generation for General Circulation Modelling on the Sphere

NASA Technical Reports Server (NTRS)

Engwirda, Darren

2017-01-01

An algorithm for the generation of non-uniform, locally orthogonal staggered unstructured spheroidal grids is described. This technique is designed to generate very high-quality staggered VoronoiDelaunay meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric simulation, ocean-modelling and numerical weather prediction. Using a recently developed Frontal-Delaunay refinement technique, a method for the construction of high-quality unstructured spheroidal Delaunay triangulations is introduced. A locally orthogonal polygonal grid, derived from the associated Voronoi diagram, is computed as the staggered dual. It is shown that use of the Frontal-Delaunay refinement technique allows for the generation of very high-quality unstructured triangulations, satisfying a priori bounds on element size and shape. Grid quality is further improved through the application of hill-climbing-type optimisation techniques. Overall, the algorithm is shown to produce grids with very high element quality and smooth grading characteristics, while imposing relatively low computational expense. A selection of uniform and non-uniform spheroidal grids appropriate for high-resolution, multi-scale general circulation modelling are presented. These grids are shown to satisfy the geometric constraints associated with contemporary unstructured C-grid-type finite-volume models, including the Model for Prediction Across Scales (MPAS-O). The use of user-defined mesh-spacing functions to generate smoothly graded, non-uniform grids for multi-resolution-type studies is discussed in detail.

JIGSAW-GEO (1.0): locally orthogonal staggered unstructured grid generation for general circulation modelling on the sphere

NASA Astrophysics Data System (ADS)

Engwirda, Darren

2017-06-01

An algorithm for the generation of non-uniform, locally orthogonal staggered unstructured spheroidal grids is described. This technique is designed to generate very high-quality staggered Voronoi-Delaunay meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric simulation, ocean-modelling and numerical weather prediction. Using a recently developed Frontal-Delaunay refinement technique, a method for the construction of high-quality unstructured spheroidal Delaunay triangulations is introduced. A locally orthogonal polygonal grid, derived from the associated Voronoi diagram, is computed as the staggered dual. It is shown that use of the Frontal-Delaunay refinement technique allows for the generation of very high-quality unstructured triangulations, satisfying a priori bounds on element size and shape. Grid quality is further improved through the application of hill-climbing-type optimisation techniques. Overall, the algorithm is shown to produce grids with very high element quality and smooth grading characteristics, while imposing relatively low computational expense. A selection of uniform and non-uniform spheroidal grids appropriate for high-resolution, multi-scale general circulation modelling are presented. These grids are shown to satisfy the geometric constraints associated with contemporary unstructured C-grid-type finite-volume models, including the Model for Prediction Across Scales (MPAS-O). The use of user-defined mesh-spacing functions to generate smoothly graded, non-uniform grids for multi-resolution-type studies is discussed in detail.

Data fusion of multi-scale representations for structural damage detection

NASA Astrophysics Data System (ADS)

Guo, Tian; Xu, Zili

2018-01-01

Despite extensive researches into structural health monitoring (SHM) in the past decades, there are few methods that can detect multiple slight damage in noisy environments. Here, we introduce a new hybrid method that utilizes multi-scale space theory and data fusion approach for multiple damage detection in beams and plates. A cascade filtering approach provides multi-scale space for noisy mode shapes and filters the fluctuations caused by measurement noise. In multi-scale space, a series of amplification and data fusion algorithms are utilized to search the damage features across all possible scales. We verify the effectiveness of the method by numerical simulation using damaged beams and plates with various types of boundary conditions. Monte Carlo simulations are conducted to illustrate the effectiveness and noise immunity of the proposed method. The applicability is further validated via laboratory cases studies focusing on different damage scenarios. Both results demonstrate that the proposed method has a superior noise tolerant ability, as well as damage sensitivity, without knowing material properties or boundary conditions.

Robust multi-site MR data processing: iterative optimization of bias correction, tissue classification, and registration.

PubMed

Young Kim, Eun; Johnson, Hans J

2013-01-01

A robust multi-modal tool, for automated registration, bias correction, and tissue classification, has been implemented for large-scale heterogeneous multi-site longitudinal MR data analysis. This work focused on improving the an iterative optimization framework between bias-correction, registration, and tissue classification inspired from previous work. The primary contributions are robustness improvements from incorporation of following four elements: (1) utilize multi-modal and repeated scans, (2) incorporate high-deformable registration, (3) use extended set of tissue definitions, and (4) use of multi-modal aware intensity-context priors. The benefits of these enhancements were investigated by a series of experiments with both simulated brain data set (BrainWeb) and by applying to highly-heterogeneous data from a 32 site imaging study with quality assessments through the expert visual inspection. The implementation of this tool is tailored for, but not limited to, large-scale data processing with great data variation with a flexible interface. In this paper, we describe enhancements to a joint registration, bias correction, and the tissue classification, that improve the generalizability and robustness for processing multi-modal longitudinal MR scans collected at multi-sites. The tool was evaluated by using both simulated and simulated and human subject MRI images. With these enhancements, the results showed improved robustness for large-scale heterogeneous MRI processing.

VLBI-resolution radio-map algorithms: Performance analysis of different levels of data-sharing on multi-socket, multi-core architectures

NASA Astrophysics Data System (ADS)

Tabik, S.; Romero, L. F.; Mimica, P.; Plata, O.; Zapata, E. L.

2012-09-01

A broad area in astronomy focuses on simulating extragalactic objects based on Very Long Baseline Interferometry (VLBI) radio-maps. Several algorithms in this scope simulate what would be the observed radio-maps if emitted from a predefined extragalactic object. This work analyzes the performance and scaling of this kind of algorithms on multi-socket, multi-core architectures. In particular, we evaluate a sharing approach, a privatizing approach and a hybrid approach on systems with complex memory hierarchy that includes shared Last Level Cache (LLC). In addition, we investigate which manual processes can be systematized and then automated in future works. The experiments show that the data-privatizing model scales efficiently on medium scale multi-socket, multi-core systems (up to 48 cores) while regardless of algorithmic and scheduling optimizations, the sharing approach is unable to reach acceptable scalability on more than one socket. However, the hybrid model with a specific level of data-sharing provides the best scalability over all used multi-socket, multi-core systems.

Parallel Monte Carlo transport modeling in the context of a time-dependent, three-dimensional multi-physics code

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

Procassini, R.J.

1997-12-31

The fine-scale, multi-space resolution that is envisioned for accurate simulations of complex weapons systems in three spatial dimensions implies flop-rate and memory-storage requirements that will only be obtained in the near future through the use of parallel computational techniques. Since the Monte Carlo transport models in these simulations usually stress both of these computational resources, they are prime candidates for parallelization. The MONACO Monte Carlo transport package, which is currently under development at LLNL, will utilize two types of parallelism within the context of a multi-physics design code: decomposition of the spatial domain across processors (spatial parallelism) and distribution ofmore » particles in a given spatial subdomain across additional processors (particle parallelism). This implementation of the package will utilize explicit data communication between domains (message passing). Such a parallel implementation of a Monte Carlo transport model will result in non-deterministic communication patterns. The communication of particles between subdomains during a Monte Carlo time step may require a significant level of effort to achieve a high parallel efficiency.« less

Simulation and Flight Evaluation of a Parameter Estimation Input Design Method for Hybrid-Wing-Body Aircraft

NASA Technical Reports Server (NTRS)

Taylor, Brian R.; Ratnayake, Nalin A.

2010-01-01

As part of an effort to improve emissions, noise, and performance of next generation aircraft, it is expected that future aircraft will make use of distributed, multi-objective control effectors in a closed-loop flight control system. Correlation challenges associated with parameter estimation will arise with this expected aircraft configuration. Research presented in this paper focuses on addressing the correlation problem with an appropriate input design technique and validating this technique through simulation and flight test of the X-48B aircraft. The X-48B aircraft is an 8.5 percent-scale hybrid wing body aircraft demonstrator designed by The Boeing Company (Chicago, Illinois, USA), built by Cranfield Aerospace Limited (Cranfield, Bedford, United Kingdom) and flight tested at the National Aeronautics and Space Administration Dryden Flight Research Center (Edwards, California, USA). Based on data from flight test maneuvers performed at Dryden Flight Research Center, aerodynamic parameter estimation was performed using linear regression and output error techniques. An input design technique that uses temporal separation for de-correlation of control surfaces is proposed, and simulation and flight test results are compared with the aerodynamic database. This paper will present a method to determine individual control surface aerodynamic derivatives.

Multiscale Embedded Gene Co-expression Network Analysis

PubMed Central

Song, Won-Min; Zhang, Bin

2015-01-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma. PMID:26618778

Multiscale Embedded Gene Co-expression Network Analysis.

PubMed

Song, Won-Min; Zhang, Bin

2015-11-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

The role of zonal flows in the saturation of multi-scale gyrokinetic turbulence

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

Staebler, G. M.; Candy, J.; Howard, N. T.

2016-06-15

The 2D spectrum of the saturated electric potential from gyrokinetic turbulence simulations that include both ion and electron scales (multi-scale) in axisymmetric tokamak geometry is analyzed. The paradigm that the turbulence is saturated when the zonal (axisymmetic) ExB flow shearing rate competes with linear growth is shown to not apply to the electron scale turbulence. Instead, it is the mixing rate by the zonal ExB velocity spectrum with the turbulent distribution function that competes with linear growth. A model of this mechanism is shown to be able to capture the suppression of electron-scale turbulence by ion-scale turbulence and the thresholdmore » for the increase in electron scale turbulence when the ion-scale turbulence is reduced. The model computes the strength of the zonal flow velocity and the saturated potential spectrum from the linear growth rate spectrum. The model for the saturated electric potential spectrum is applied to a quasilinear transport model and shown to accurately reproduce the electron and ion energy fluxes of the non-linear gyrokinetic multi-scale simulations. The zonal flow mixing saturation model is also shown to reproduce the non-linear upshift in the critical temperature gradient caused by zonal flows in ion-scale gyrokinetic simulations.« less

Multi-scale simulations of space problems with iPIC3D

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; Bettarini, Lapo; Markidis, Stefano

The implicit Particle-in-Cell method for the computer simulation of space plasma, and its im-plementation in a three-dimensional parallel code, called iPIC3D, are presented. The implicit integration in time of the Vlasov-Maxwell system removes the numerical stability constraints and enables kinetic plasma simulations at magnetohydrodynamics scales. Simulations of mag-netic reconnection in plasma are presented to show the effectiveness of the algorithm. In particular we will show a number of simulations done for large scale 3D systems using the physical mass ratio for Hydrogen. Most notably one simulation treats kinetically a box of tens of Earth radii in each direction and was conducted using about 16000 processors of the Pleiades NASA computer. The work is conducted in collaboration with the MMS-IDS theory team from University of Colorado (M. Goldman, D. Newman and L. Andersson). Reference: Stefano Markidis, Giovanni Lapenta, Rizwan-uddin Multi-scale simulations of plasma with iPIC3D Mathematics and Computers in Simulation, Available online 17 October 2009, http://dx.doi.org/10.1016/j.matcom.2009.08.038

Multi-scale structures of turbulent magnetic reconnection

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

Nakamura, T. K. M., E-mail: takuma.nakamura@oeaw.ac.at; Nakamura, R.; Narita, Y.

2016-05-15

We have analyzed data from a series of 3D fully kinetic simulations of turbulent magnetic reconnection with a guide field. A new concept of the guide filed reconnection process has recently been proposed, in which the secondary tearing instability and the resulting formation of oblique, small scale flux ropes largely disturb the structure of the primary reconnection layer and lead to 3D turbulent features [W. Daughton et al., Nat. Phys. 7, 539 (2011)]. In this paper, we further investigate the multi-scale physics in this turbulent, guide field reconnection process by introducing a wave number band-pass filter (k-BPF) technique in whichmore » modes for the small scale (less than ion scale) fluctuations and the background large scale (more than ion scale) variations are separately reconstructed from the wave number domain to the spatial domain in the inverse Fourier transform process. Combining with the Fourier based analyses in the wave number domain, we successfully identify spatial and temporal development of the multi-scale structures in the turbulent reconnection process. When considering a strong guide field, the small scale tearing mode and the resulting flux ropes develop over a specific range of oblique angles mainly along the edge of the primary ion scale flux ropes and reconnection separatrix. The rapid merging of these small scale modes leads to a smooth energy spectrum connecting ion and electron scales. When the guide field is sufficiently weak, the background current sheet is strongly kinked and oblique angles for the small scale modes are widely scattered at the kinked regions. Similar approaches handling both the wave number and spatial domains will be applicable to the data from multipoint, high-resolution spacecraft observations such as the NASA magnetospheric multiscale (MMS) mission.« less

Multi-scale structures of turbulent magnetic reconnection

NASA Astrophysics Data System (ADS)

Nakamura, T. K. M.; Nakamura, R.; Narita, Y.; Baumjohann, W.; Daughton, W.

2016-05-01

We have analyzed data from a series of 3D fully kinetic simulations of turbulent magnetic reconnection with a guide field. A new concept of the guide filed reconnection process has recently been proposed, in which the secondary tearing instability and the resulting formation of oblique, small scale flux ropes largely disturb the structure of the primary reconnection layer and lead to 3D turbulent features [W. Daughton et al., Nat. Phys. 7, 539 (2011)]. In this paper, we further investigate the multi-scale physics in this turbulent, guide field reconnection process by introducing a wave number band-pass filter (k-BPF) technique in which modes for the small scale (less than ion scale) fluctuations and the background large scale (more than ion scale) variations are separately reconstructed from the wave number domain to the spatial domain in the inverse Fourier transform process. Combining with the Fourier based analyses in the wave number domain, we successfully identify spatial and temporal development of the multi-scale structures in the turbulent reconnection process. When considering a strong guide field, the small scale tearing mode and the resulting flux ropes develop over a specific range of oblique angles mainly along the edge of the primary ion scale flux ropes and reconnection separatrix. The rapid merging of these small scale modes leads to a smooth energy spectrum connecting ion and electron scales. When the guide field is sufficiently weak, the background current sheet is strongly kinked and oblique angles for the small scale modes are widely scattered at the kinked regions. Similar approaches handling both the wave number and spatial domains will be applicable to the data from multipoint, high-resolution spacecraft observations such as the NASA magnetospheric multiscale (MMS) mission.

Scalable streaming tools for analyzing N-body simulations: Finding halos and investigating excursion sets in one pass

NASA Astrophysics Data System (ADS)

Ivkin, N.; Liu, Z.; Yang, L. F.; Kumar, S. S.; Lemson, G.; Neyrinck, M.; Szalay, A. S.; Braverman, V.; Budavari, T.

2018-04-01

Cosmological N-body simulations play a vital role in studying models for the evolution of the Universe. To compare to observations and make a scientific inference, statistic analysis on large simulation datasets, e.g., finding halos, obtaining multi-point correlation functions, is crucial. However, traditional in-memory methods for these tasks do not scale to the datasets that are forbiddingly large in modern simulations. Our prior paper (Liu et al., 2015) proposes memory-efficient streaming algorithms that can find the largest halos in a simulation with up to 109 particles on a small server or desktop. However, this approach fails when directly scaling to larger datasets. This paper presents a robust streaming tool that leverages state-of-the-art techniques on GPU boosting, sampling, and parallel I/O, to significantly improve performance and scalability. Our rigorous analysis of the sketch parameters improves the previous results from finding the centers of the 103 largest halos (Liu et al., 2015) to ∼ 104 - 105, and reveals the trade-offs between memory, running time and number of halos. Our experiments show that our tool can scale to datasets with up to ∼ 1012 particles while using less than an hour of running time on a single GPU Nvidia GTX 1080.

Trans-oceanic Remote Power Hardware-in-the-Loop: Multi-site Hardware, Integrated Controller, and Electric Network Co-simulation

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

Lundstrom, Blake R.; Palmintier, Bryan S.; Rowe, Daniel

Electric system operators are increasingly concerned with the potential system-wide impacts of the large-scale integration of distributed energy resources (DERs) including voltage control, protection coordination, and equipment wear. This prompts a need for new simulation techniques that can simultaneously capture all the components of these large integrated smart grid systems. This paper describes a novel platform that combines three emerging research areas: power systems co-simulation, power hardware in the loop (PHIL) simulation, and lab-lab links. The platform is distributed, real-time capable, allows for easy internet-based connection from geographically-dispersed participants, and is software platform agnostic. We demonstrate its utility by studyingmore » real-time PHIL co-simulation of coordinated solar PV firming control of two inverters connected in multiple electric distribution network models, prototypical of U.S. and Australian systems. Here, the novel trans-pacific closed-loop system simulation was conducted in real-time using a power network simulator and physical PV/battery inverter at power at the National Renewable Energy Laboratory in Golden, CO, USA and a physical PV inverter at power at the Commonwealth Scientific and Industrial Research Organisation's Energy Centre in Newcastle, NSW, Australia. This capability enables smart grid researchers throughout the world to leverage their unique simulation capabilities for multi-site collaborations that can effectively simulate and validate emerging smart grid technology solutions.« less

Trans-oceanic Remote Power Hardware-in-the-Loop: Multi-site Hardware, Integrated Controller, and Electric Network Co-simulation

DOE PAGES

Lundstrom, Blake R.; Palmintier, Bryan S.; Rowe, Daniel; ...

2017-07-24

Electric system operators are increasingly concerned with the potential system-wide impacts of the large-scale integration of distributed energy resources (DERs) including voltage control, protection coordination, and equipment wear. This prompts a need for new simulation techniques that can simultaneously capture all the components of these large integrated smart grid systems. This paper describes a novel platform that combines three emerging research areas: power systems co-simulation, power hardware in the loop (PHIL) simulation, and lab-lab links. The platform is distributed, real-time capable, allows for easy internet-based connection from geographically-dispersed participants, and is software platform agnostic. We demonstrate its utility by studyingmore » real-time PHIL co-simulation of coordinated solar PV firming control of two inverters connected in multiple electric distribution network models, prototypical of U.S. and Australian systems. Here, the novel trans-pacific closed-loop system simulation was conducted in real-time using a power network simulator and physical PV/battery inverter at power at the National Renewable Energy Laboratory in Golden, CO, USA and a physical PV inverter at power at the Commonwealth Scientific and Industrial Research Organisation's Energy Centre in Newcastle, NSW, Australia. This capability enables smart grid researchers throughout the world to leverage their unique simulation capabilities for multi-site collaborations that can effectively simulate and validate emerging smart grid technology solutions.« less

Image-based multi-scale simulation and experimental validation of thermal conductivity of lanthanum zirconate

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

Guo, Xingye; Hu, Bin; Wei, Changdong

Lanthanum zirconate (La2Zr2O7) is a promising candidate material for thermal barrier coating (TBC) applications due to its low thermal conductivity and high-temperature phase stability. In this work, a novel image-based multi-scale simulation framework combining molecular dynamics (MD) and finite element (FE) calculations is proposed to study the thermal conductivity of La2Zr2O7 coatings. Since there is no experimental data of single crystal La2Zr2O7 thermal conductivity, a reverse non-equilibrium molecular dynamics (reverse NEMD) approach is first employed to compute the temperature-dependent thermal conductivity of single crystal La2Zr2O7. The single crystal data is then passed to a FE model which takes into accountmore » of realistic thermal barrier coating microstructures. The predicted thermal conductivities from the FE model are in good agreement with experimental validations using both flash laser technique and pulsed thermal imaging-multilayer analysis. The framework proposed in this work provides a powerful tool for future design of advanced coating systems. (C) 2016 Elsevier Ltd. All rights reserved.« less

Large-Scale Compute-Intensive Analysis via a Combined In-situ and Co-scheduling Workflow Approach

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

Messer, Bronson; Sewell, Christopher; Heitmann, Katrin

2015-01-01

Large-scale simulations can produce tens of terabytes of data per analysis cycle, complicating and limiting the efficiency of workflows. Traditionally, outputs are stored on the file system and analyzed in post-processing. With the rapidly increasing size and complexity of simulations, this approach faces an uncertain future. Trending techniques consist of performing the analysis in situ, utilizing the same resources as the simulation, and/or off-loading subsets of the data to a compute-intensive analysis system. We introduce an analysis framework developed for HACC, a cosmological N-body code, that uses both in situ and co-scheduling approaches for handling Petabyte-size outputs. An initial inmore » situ step is used to reduce the amount of data to be analyzed, and to separate out the data-intensive tasks handled off-line. The analysis routines are implemented using the PISTON/VTK-m framework, allowing a single implementation of an algorithm that simultaneously targets a variety of GPU, multi-core, and many-core architectures.« less

The role of zonal flows in the saturation of multi-scale gyrokinetic turbulence

DOE PAGES

Staebler, Gary M.; Candy, John; Howard, Nathan T.; ...

2016-06-29

The 2D spectrum of the saturated electric potential from gyrokinetic turbulence simulations that include both ion and electron scales (multi-scale) in axisymmetric tokamak geometry is analyzed. The paradigm that the turbulence is saturated when the zonal (axisymmetic) ExB flow shearing rate competes with linear growth is shown to not apply to the electron scale turbulence. Instead, it is the mixing rate by the zonal ExB velocity spectrum with the turbulent distribution function that competes with linear growth. A model of this mechanism is shown to be able to capture the suppression of electron-scale turbulence by ion-scale turbulence and the thresholdmore » for the increase in electron scale turbulence when the ion-scale turbulence is reduced. The model computes the strength of the zonal flow velocity and the saturated potential spectrum from the linear growth rate spectrum. The model for the saturated electric potential spectrum is applied to a quasilinear transport model and shown to accurately reproduce the electron and ion energy fluxes of the non-linear gyrokinetic multi-scale simulations. Finally, the zonal flow mixing saturation model is also shown to reproduce the non-linear upshift in the critical temperature gradient caused by zonal flows in ionscale gyrokinetic simulations.« less

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations

PubMed Central

Hallock, Michael J.; Stone, John E.; Roberts, Elijah; Fry, Corey; Luthey-Schulten, Zaida

2014-01-01

Simulation of in vivo cellular processes with the reaction-diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel e ciency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli. Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems. PMID:24882911

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations.

PubMed

Hallock, Michael J; Stone, John E; Roberts, Elijah; Fry, Corey; Luthey-Schulten, Zaida

2014-05-01

Simulation of in vivo cellular processes with the reaction-diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel e ciency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli . Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems.

Multi-objects recognition for distributed intelligent sensor networks

NASA Astrophysics Data System (ADS)

He, Haibo; Chen, Sheng; Cao, Yuan; Desai, Sachi; Hohil, Myron E.

2008-04-01

This paper proposes an innovative approach for multi-objects recognition for homeland security and defense based intelligent sensor networks. Unlike the conventional way of information analysis, data mining in such networks is typically characterized with high information ambiguity/uncertainty, data redundancy, high dimensionality and real-time constrains. Furthermore, since a typical military based network normally includes multiple mobile sensor platforms, ground forces, fortified tanks, combat flights, and other resources, it is critical to develop intelligent data mining approaches to fuse different information resources to understand dynamic environments, to support decision making processes, and finally to achieve the goals. This paper aims to address these issues with a focus on multi-objects recognition. Instead of classifying a single object as in the traditional image classification problems, the proposed method can automatically learn multiple objectives simultaneously. Image segmentation techniques are used to identify the interesting regions in the field, which correspond to multiple objects such as soldiers or tanks. Since different objects will come with different feature sizes, we propose a feature scaling method to represent each object in the same number of dimensions. This is achieved by linear/nonlinear scaling and sampling techniques. Finally, support vector machine (SVM) based learning algorithms are developed to learn and build the associations for different objects, and such knowledge will be adaptively accumulated for objects recognition in the testing stage. We test the effectiveness of proposed method in different simulated military environments.

Investigation of the Carbon Arc Source as an AM0 Solar Simulator for Use in Characterizing Multi-Junction Solar Cells

NASA Technical Reports Server (NTRS)

Xu, Jianzeng; Woodyward, James R.

2005-01-01

The operation of multi-junction solar cells used for production of space power is critically dependent on the spectral irradiance of the illuminating light source. Unlike single-junction cells where the spectral irradiance of the simulator and computational techniques may be used to optimized cell designs, optimization of multi-junction solar cell designs requires a solar simulator with a spectral irradiance that closely matches AM0.

Experimental techniques and computational methods toward the estimation of the effective two-phase flow coefficients and multi-scale heterogeneities of soils

NASA Astrophysics Data System (ADS)

Tsakiroglou, C. D.; Aggelopoulos, C. A.; Sygouni, V.

2009-04-01

A hierarchical, network-type, dynamic simulator of the immiscible displacement of water by oil in heterogeneous porous media is developed to simulate the rate-controlled displacement of two fluids at the soil column scale. A cubic network is constructed, where each node is assigned a permeability which is chosen randomly from a distribution function. The intensity of heterogeneities is quantified by the width of the permeability distribution function. The capillary pressure at each node is calculated by combining a generalized Leverett J-function with a Corey type model. Information about the heterogeneity of soils at the pore network scale is obtained by combining mercury intrusion porosimetry (MIP) data with back-scattered scanning electron microscope (BSEM) images [1]. In order to estimate the two-phase flow properties of nodes (relative permeability and capillary pressure functions, permeability distribution function) immiscible and miscible displacement experiments are performed on undisturbed soil columns. The transient responses of measured variables (pressure drop, fluid saturation averaged over five successive segments, solute concentration averaged over three cross-sections) are fitted with models accounting for the preferential flow paths at the micro- (multi-region model) and macro-scale (multi flowpath model) because of multi-scale heterogeneities [2,3]. Simulating the immiscible displacement of water by oil (drainage) in a large netork, at each time step, the fluid saturation and pressure of each node are calculated formulating mass balances at each node, accounting for capillary, viscous and gravity forces, and solving the system of coupled equations. At each iteration of the algorithm, the pressure drop is so selected that the total flow rate of the injected fluid is kept constant. The dynamic large-scale network simulator is used (1) to examine the sensitivity of the transient responses of the axial distribution of fluid saturation and total pressure drop across the network to the permeability distribution function, spatial correlations of permeability, and capillary number, and (2) to estimate the effective (up-scaled) relative permeability functions at the soil column scale. In an attempt to clarify potential effects of the permeability distribution and spatial permeability correlations on the transient responses of the pressure drop across a soil column, signal analysis with wavelets is performed [4] on experimental and simulated results. The transient variation of signal energy and frequency of pressure drop fluctuations at the wavelet domain are correlated with macroscopic properties such as the effective water and oil relative permeabilities of the porous medium, and microscopic properties such as the variation of the permeability distribution of oil-occupied nodes. Toward the solution of the inverse problem, a general procedure is suggested to identify macro-heterogeneities from the fast analysis of pressure drop signals. References 1. Tsakiroglou, C.D. and M.A. Ioannidis, "Dual porosity modeling of the pore structure and transport properties of a contaminated soil", Eur. J. Soil Sci., 59, 744-761 (2008). 2. Aggelopoulos, C.A., and C.D. Tsakiroglou, "Quantifying the Soil Heterogeneity from Solute Dispersion Experiments", Geoderma, 146, 412-424 (2008). 3. Aggelopoulos, C.A., and C.D. Tsakiroglou, "A multi-flow path approach to model immiscible displacement in undisturbed heterogeneous soil columns", J. Contam. Hydrol., in press (2009). 4. Sygouni, V., C.D. Tsakiroglou, and A.C. Payatakes, "Using wavelets to characterize the wettability of porous materials", Phys. Rev. E, 76, 056304 (2007).

Superhydrophobic to hydrophilic transition of multi-walled carbon nanotubes induced by Na+ ion irradiation

NASA Astrophysics Data System (ADS)

Das, Pritam; Dhal, Satyanarayan; Ghosh, Susanta; Chatterjee, Sriparna; Rout, Chandra S.; Ramgir, Niranjan; Chatterjee, Shyamal

2017-12-01

Multi-walled carbon nanotubes (MWCNT) having diameter in the range of 5-30 nm were coated on silicon wafer using spray coating technique. The coated film was irradiated with 5 keV Na+ at a fluence of 1 × 1016 ions·cm-2. A large-scale welding is observed in the post-irradiated nanotube assembly under scanning electron microscope. We have studied dynamic wetting properties of the nanotubes. While the pristine MWCNT shows superhydrophobic nature, the irradiated MWCNT turns into hydrophilic. Our simulation based on iradina and experimental evidences show defect formation in MWCNT due to ion irradiation. We have invoked mechanism based on defect mediated adsorption of water, which plays major role for transition from superhydrophobic to hydrophilic.

Load Balancing Strategies for Multi-Block Overset Grid Applications

NASA Technical Reports Server (NTRS)

Djomehri, M. Jahed; Biswas, Rupak; Lopez-Benitez, Noe; Biegel, Bryan (Technical Monitor)

2002-01-01

The multi-block overset grid method is a powerful technique for high-fidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process uses a grid system that discretizes the problem domain by using separately generated but overlapping structured grids that periodically update and exchange boundary information through interpolation. For efficient high performance computations of large-scale realistic applications using this methodology, the individual grids must be properly partitioned among the parallel processors. Overall performance, therefore, largely depends on the quality of load balancing. In this paper, we present three different load balancing strategies far overset grids and analyze their effects on the parallel efficiency of a Navier-Stokes CFD application running on an SGI Origin2000 machine.

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem

PubMed Central

Akutsah, Francis; Olusanya, Micheal O.; Adewumi, Aderemi O.

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems. PMID:29554662

Enhanced intelligent water drops algorithm for multi-depot vehicle routing problem.

PubMed

Ezugwu, Absalom E; Akutsah, Francis; Olusanya, Micheal O; Adewumi, Aderemi O

2018-01-01

The intelligent water drop algorithm is a swarm-based metaheuristic algorithm, inspired by the characteristics of water drops in the river and the environmental changes resulting from the action of the flowing river. Since its appearance as an alternative stochastic optimization method, the algorithm has found applications in solving a wide range of combinatorial and functional optimization problems. This paper presents an improved intelligent water drop algorithm for solving multi-depot vehicle routing problems. A simulated annealing algorithm was introduced into the proposed algorithm as a local search metaheuristic to prevent the intelligent water drop algorithm from getting trapped into local minima and also improve its solution quality. In addition, some of the potential problematic issues associated with using simulated annealing that include high computational runtime and exponential calculation of the probability of acceptance criteria, are investigated. The exponential calculation of the probability of acceptance criteria for the simulated annealing based techniques is computationally expensive. Therefore, in order to maximize the performance of the intelligent water drop algorithm using simulated annealing, a better way of calculating the probability of acceptance criteria is considered. The performance of the proposed hybrid algorithm is evaluated by using 33 standard test problems, with the results obtained compared with the solutions offered by four well-known techniques from the subject literature. Experimental results and statistical tests show that the new method possesses outstanding performance in terms of solution quality and runtime consumed. In addition, the proposed algorithm is suitable for solving large-scale problems.

A Coulomb collision algorithm for weighted particle simulations

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Combi, Michael R.

1994-01-01

A binary Coulomb collision algorithm is developed for weighted particle simulations employing Monte Carlo techniques. Charged particles within a given spatial grid cell are pair-wise scattered, explicitly conserving momentum and implicitly conserving energy. A similar algorithm developed by Takizuka and Abe (1977) conserves momentum and energy provided the particles are unweighted (each particle representing equal fractions of the total particle density). If applied as is to simulations incorporating weighted particles, the plasma temperatures equilibrate to an incorrect temperature, as compared to theory. Using the appropriate pairing statistics, a Coulomb collision algorithm is developed for weighted particles. The algorithm conserves energy and momentum and produces the appropriate relaxation time scales as compared to theoretical predictions. Such an algorithm is necessary for future work studying self-consistent multi-species kinetic transport.

A study of the parallel algorithm for large-scale DC simulation of nonlinear systems

NASA Astrophysics Data System (ADS)

Cortés Udave, Diego Ernesto; Ogrodzki, Jan; Gutiérrez de Anda, Miguel Angel

Newton-Raphson DC analysis of large-scale nonlinear circuits may be an extremely time consuming process even if sparse matrix techniques and bypassing of nonlinear models calculation are used. A slight decrease in the time required for this task may be enabled on multi-core, multithread computers if the calculation of the mathematical models for the nonlinear elements as well as the stamp management of the sparse matrix entries are managed through concurrent processes. This numerical complexity can be further reduced via the circuit decomposition and parallel solution of blocks taking as a departure point the BBD matrix structure. This block-parallel approach may give a considerable profit though it is strongly dependent on the system topology and, of course, on the processor type. This contribution presents the easy-parallelizable decomposition-based algorithm for DC simulation and provides a detailed study of its effectiveness.

Multirate Particle-in-Cell Time Integration Techniques of Vlasov-Maxwell Equations for Collisionless Kinetic Plasma Simulations

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

Chen, Guangye; Chacon, Luis; Knoll, Dana Alan

2015-07-31

A multi-rate PIC formulation was developed that employs large timesteps for slow field evolution, and small (adaptive) timesteps for particle orbit integrations. Implementation is based on a JFNK solver with nonlinear elimination and moment preconditioning. The approach is free of numerical instabilities (ω peΔt >>1, and Δx >> λ D), and requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant gains (vs. conventional explicit PIC) may be possible for large scale simulations. The paper is organized as follows: Vlasov-Maxwell Particle-in-cell (PIC) methods for plasmas; Explicit, semi-implicit, and implicit time integrations; Implicit PIC formulation (Jacobian-Free Newton-Krylovmore » (JFNK) with nonlinear elimination allows different treatments of disparate scales, discrete conservation properties (energy, charge, canonical momentum, etc.)); Some numerical examples; and Summary.« less

Hybrid Parallelization of Adaptive MHD-Kinetic Module in Multi-Scale Fluid-Kinetic Simulation Suite

DOE PAGES

Borovikov, Sergey; Heerikhuisen, Jacob; Pogorelov, Nikolai

2013-04-01

The Multi-Scale Fluid-Kinetic Simulation Suite has a computational tool set for solving partially ionized flows. In this paper we focus on recent developments of the kinetic module which solves the Boltzmann equation using the Monte-Carlo method. The module has been recently redesigned to utilize intra-node hybrid parallelization. We describe in detail the redesign process, implementation issues, and modifications made to the code. Finally, we conduct a performance analysis.

A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

DOE PAGES

Pau, G. S. H.; Bisht, G.; Riley, W. J.

2014-09-17

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

Optical characterization of shock-induced chemistry in the explosive nitromethane using DFT and time-dependent DFT

NASA Astrophysics Data System (ADS)

Pellouchoud, Lenson; Reed, Evan

2014-03-01

With continual improvements in ultrafast optical spectroscopy and new multi-scale methods for simulating chemistry for hundreds of picoseconds, the opportunity is beginning to exist to connect experiments with simulations on the same timescale. We compute the optical properties of the liquid phase energetic material nitromethane (CH3NO2) for the first 100 picoseconds behind the front of a simulated shock at 6.5km/s, close to the experimentally observed detonation shock speed. We utilize molecular dynamics trajectories computed using the multi-scale shock technique (MSST) for time-resolved optical spectrum calculations based on both linear response time-dependent DFT (TDDFT) and the Kubo-Greenwood (KG) formula within Kohn-Sham DFT. We find that TDDFT predicts optical conductivities 25-35% lower than KG-based values and provides better agreement with the experimentally measured index of refraction of unreacted nitromethane. We investigate the influence of electronic temperature on the KG spectra and find no significant effect at optical wavelengths. With all methods, the spectra evolve non-monotonically in time as shock-induced chemistry takes place. We attribute the time-resolved absorption at optical wavelengths to time-dependent populations of molecular decomposition products, including NO, CNO, CNOH, H2O, and larger molecules. Supported by NASA Space Technology Research Fellowship (NSTRF) #NNX12AM48H.

Uncertainty assessment of PM2.5 contamination mapping using spatiotemporal sequential indicator simulations and multi-temporal monitoring data.

PubMed

Yang, Yong; Christakos, George; Huang, Wei; Lin, Chengda; Fu, Peihong; Mei, Yang

2016-04-12

Because of the rapid economic growth in China, many regions are subjected to severe particulate matter pollution. Thus, improving the methods of determining the spatiotemporal distribution and uncertainty of air pollution can provide considerable benefits when developing risk assessments and environmental policies. The uncertainty assessment methods currently in use include the sequential indicator simulation (SIS) and indicator kriging techniques. However, these methods cannot be employed to assess multi-temporal data. In this work, a spatiotemporal sequential indicator simulation (STSIS) based on a non-separable spatiotemporal semivariogram model was used to assimilate multi-temporal data in the mapping and uncertainty assessment of PM2.5 distributions in a contaminated atmosphere. PM2.5 concentrations recorded throughout 2014 in Shandong Province, China were used as the experimental dataset. Based on the number of STSIS procedures, we assessed various types of mapping uncertainties, including single-location uncertainties over one day and multiple days and multi-location uncertainties over one day and multiple days. A comparison of the STSIS technique with the SIS technique indicate that a better performance was obtained with the STSIS method.

Uncertainty assessment of PM2.5 contamination mapping using spatiotemporal sequential indicator simulations and multi-temporal monitoring data

NASA Astrophysics Data System (ADS)

Yang, Yong; Christakos, George; Huang, Wei; Lin, Chengda; Fu, Peihong; Mei, Yang

2016-04-01

Because of the rapid economic growth in China, many regions are subjected to severe particulate matter pollution. Thus, improving the methods of determining the spatiotemporal distribution and uncertainty of air pollution can provide considerable benefits when developing risk assessments and environmental policies. The uncertainty assessment methods currently in use include the sequential indicator simulation (SIS) and indicator kriging techniques. However, these methods cannot be employed to assess multi-temporal data. In this work, a spatiotemporal sequential indicator simulation (STSIS) based on a non-separable spatiotemporal semivariogram model was used to assimilate multi-temporal data in the mapping and uncertainty assessment of PM2.5 distributions in a contaminated atmosphere. PM2.5 concentrations recorded throughout 2014 in Shandong Province, China were used as the experimental dataset. Based on the number of STSIS procedures, we assessed various types of mapping uncertainties, including single-location uncertainties over one day and multiple days and multi-location uncertainties over one day and multiple days. A comparison of the STSIS technique with the SIS technique indicate that a better performance was obtained with the STSIS method.

A Multi-Scale Method for Dynamics Simulation in Continuum Solvent Models I: Finite-Difference Algorithm for Navier-Stokes Equation.

PubMed

Xiao, Li; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

2014-11-25

A multi-scale framework is proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent. This article reports our initial efforts to formulate the physical concepts necessary for coupling the two mechanics and develop a 3D numerical algorithm to simulate the solvent fluid via the Navier-Stokes equation. The numerical algorithm was validated with multiple test cases. The validation shows that the algorithm is effective and stable, with observed accuracy consistent with our design.

Combining biophysical methods for the analysis of protein complex stoichiometry and affinity in SEDPHAT

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

Zhao, Huaying, E-mail: zhaoh3@mail.nih.gov; Schuck, Peter, E-mail: zhaoh3@mail.nih.gov

2015-01-01

Global multi-method analysis for protein interactions (GMMA) can increase the precision and complexity of binding studies for the determination of the stoichiometry, affinity and cooperativity of multi-site interactions. The principles and recent developments of biophysical solution methods implemented for GMMA in the software SEDPHAT are reviewed, their complementarity in GMMA is described and a new GMMA simulation tool set in SEDPHAT is presented. Reversible macromolecular interactions are ubiquitous in signal transduction pathways, often forming dynamic multi-protein complexes with three or more components. Multivalent binding and cooperativity in these complexes are often key motifs of their biological mechanisms. Traditional solution biophysicalmore » techniques for characterizing the binding and cooperativity are very limited in the number of states that can be resolved. A global multi-method analysis (GMMA) approach has recently been introduced that can leverage the strengths and the different observables of different techniques to improve the accuracy of the resulting binding parameters and to facilitate the study of multi-component systems and multi-site interactions. Here, GMMA is described in the software SEDPHAT for the analysis of data from isothermal titration calorimetry, surface plasmon resonance or other biosensing, analytical ultracentrifugation, fluorescence anisotropy and various other spectroscopic and thermodynamic techniques. The basic principles of these techniques are reviewed and recent advances in view of their particular strengths in the context of GMMA are described. Furthermore, a new feature in SEDPHAT is introduced for the simulation of multi-method data. In combination with specific statistical tools for GMMA in SEDPHAT, simulations can be a valuable step in the experimental design.« less

EIT image regularization by a new Multi-Objective Simulated Annealing algorithm.

PubMed

Castro Martins, Thiago; Sales Guerra Tsuzuki, Marcos

2015-01-01

Multi-Objective Optimization can be used to produce regularized Electrical Impedance Tomography (EIT) images where the weight of the regularization term is not known a priori. This paper proposes a novel Multi-Objective Optimization algorithm based on Simulated Annealing tailored for EIT image reconstruction. Images are reconstructed from experimental data and compared with images from other Multi and Single Objective optimization methods. A significant performance enhancement from traditional techniques can be inferred from the results.

Comparison of Two Stochastic Daily Rainfall Models and their Ability to Preserve Multi-year Rainfall Variability

NASA Astrophysics Data System (ADS)

Kamal Chowdhury, AFM; Lockart, Natalie; Willgoose, Garry; Kuczera, George; Kiem, Anthony; Parana Manage, Nadeeka

2016-04-01

Stochastic simulation of rainfall is often required in the simulation of streamflow and reservoir levels for water security assessment. As reservoir water levels generally vary on monthly to multi-year timescales, it is important that these rainfall series accurately simulate the multi-year variability. However, the underestimation of multi-year variability is a well-known issue in daily rainfall simulation. Focusing on this issue, we developed a hierarchical Markov Chain (MC) model in a traditional two-part MC-Gamma Distribution modelling structure, but with a new parameterization technique. We used two parameters of first-order MC process (transition probabilities of wet-to-wet and dry-to-dry days) to simulate the wet and dry days, and two parameters of Gamma distribution (mean and standard deviation of wet day rainfall) to simulate wet day rainfall depths. We found that use of deterministic Gamma parameter values results in underestimation of multi-year variability of rainfall depths. Therefore, we calculated the Gamma parameters for each month of each year from the observed data. Then, for each month, we fitted a multi-variate normal distribution to the calculated Gamma parameter values. In the model, we stochastically sampled these two Gamma parameters from the multi-variate normal distribution for each month of each year and used them to generate rainfall depth in wet days using the Gamma distribution. In another study, Mehrotra and Sharma (2007) proposed a semi-parametric Markov model. They also used a first-order MC process for rainfall occurrence simulation. But, the MC parameters were modified by using an additional factor to incorporate the multi-year variability. Generally, the additional factor is analytically derived from the rainfall over a pre-specified past periods (e.g. last 30, 180, or 360 days). They used a non-parametric kernel density process to simulate the wet day rainfall depths. In this study, we have compared the performance of our hierarchical MC model with the semi-parametric model in preserving rainfall variability in daily, monthly, and multi-year scales. To calibrate the parameters of both models and assess their ability to preserve observed statistics, we have used ground based data from 15 raingauge stations around Australia, which consist a wide range of climate zones including coastal, monsoonal, and arid climate characteristics. In preliminary results, both models show comparative performances in preserving the multi-year variability of rainfall depth and occurrence. However, the semi-parametric model shows a tendency of overestimating the mean rainfall depth, while our model shows a tendency of overestimating the number of wet days. We will discuss further the relative merits of the both models for hydrology simulation in the presentation.

Comparisons of Particle Tracking Techniques and Galerkin Finite Element Methods in Flow Simulations on Watershed Scales

NASA Astrophysics Data System (ADS)

Shih, D.; Yeh, G.

2009-12-01

This paper applies two numerical approximations, the particle tracking technique and Galerkin finite element method, to solve the diffusive wave equation in both one-dimensional and two-dimensional flow simulations. The finite element method is one of most commonly approaches in numerical problems. It can obtain accurate solutions, but calculation times may be rather extensive. The particle tracking technique, using either single-velocity or average-velocity tracks to efficiently perform advective transport, could use larger time-step sizes than the finite element method to significantly save computational time. Comparisons of the alternative approximations are examined in this poster. We adapt the model WASH123D to examine the work. WASH123D is an integrated multimedia, multi-processes, physics-based computational model suitable for various spatial-temporal scales, was first developed by Yeh et al., at 1998. The model has evolved in design capability and flexibility, and has been used for model calibrations and validations over the course of many years. In order to deliver a locally hydrological model in Taiwan, the Taiwan Typhoon and Flood Research Institute (TTFRI) is working with Prof. Yeh to develop next version of WASH123D. So, the work of our preliminary cooperationx is also sketched in this poster.

Goal-oriented robot navigation learning using a multi-scale space representation.

PubMed

Llofriu, M; Tejera, G; Contreras, M; Pelc, T; Fellous, J M; Weitzenfeld, A

2015-12-01

There has been extensive research in recent years on the multi-scale nature of hippocampal place cells and entorhinal grid cells encoding which led to many speculations on their role in spatial cognition. In this paper we focus on the multi-scale nature of place cells and how they contribute to faster learning during goal-oriented navigation when compared to a spatial cognition system composed of single scale place cells. The task consists of a circular arena with a fixed goal location, in which a robot is trained to find the shortest path to the goal after a number of learning trials. Synaptic connections are modified using a reinforcement learning paradigm adapted to the place cells multi-scale architecture. The model is evaluated in both simulation and physical robots. We find that larger scale and combined multi-scale representations favor goal-oriented navigation task learning. Copyright © 2015 Elsevier Ltd. All rights reserved.

Introducing Enabling Computational Tools to the Climate Sciences: Multi-Resolution Climate Modeling with Adaptive Cubed-Sphere Grids

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

Jablonowski, Christiane

The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively withmore » advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project demonstrate significant advances in all six research areas. The major conclusions are that statically-adaptive variable-resolution modeling is currently becoming mature in the climate sciences, and that AMR holds outstanding promise for future-generation weather and climate models on high-performance computing architectures.« less

Atomistic- and Meso-Scale Computational Simulations for Developing Multi-Timescale Theory for Radiation Degradation in Electronic and Optoelectronic Devices

DTIC Science & Technology

2017-02-13

3550 Aberdeen Ave., SE 11. SPONSOR/MONITOR’S REPORT Kirtland AFB, NM 87117-5776 NUMBER(S) AFRL -RV-PS-TR-2016-0161 12. DISTRIBUTION / AVAILABILITY...RVIL Kirtland AFB, NM 87117-5776 2 cys Official Record Copy AFRL /RVSW/David Cardimona 1 cy 22 Approved for public release; distribution is unlimited. ... AFRL -RV-PS- AFRL -RV-PS- TR-2016-0161 TR-2016-0161 ATOMISTIC- AND MESO-SCALE COMPUTATIONAL SIMULATIONS FOR DEVELOPING MULTI-TIMESCALE THEORY FOR

3D ion-scale dynamics of BBFs and their associated emissions in Earth's magnetotail using 3D hybrid simulations and MMS multi-spacecraft observations

NASA Astrophysics Data System (ADS)

Breuillard, H.; Aunai, N.; Le Contel, O.; Catapano, F.; Alexandrova, A.; Retino, A.; Cozzani, G.; Gershman, D. J.; Giles, B. L.; Khotyaintsev, Y. V.; Lindqvist, P. A.; Ergun, R.; Strangeway, R. J.; Russell, C. T.; Magnes, W.; Plaschke, F.; Nakamura, R.; Fuselier, S. A.; Turner, D. L.; Schwartz, S. J.; Torbert, R. B.; Burch, J.

2017-12-01

Transient and localized jets of hot plasma, also known as Bursty Bulk Flows (BBFs), play a crucial role in Earth's magnetotail dynamics because the energy input from the solar wind is partly dissipated in their vicinity, notably in their embedded dipolarization front (DF). This dissipation is in the form of strong low-frequency waves that can heat and accelerate energetic particles up to the high-latitude plasma sheet. The ion-scale dynamics of BBFs have been revealed by the Cluster and THEMIS multi-spacecraft missions. However, the dynamics of BBF propagation in the magnetotail are still under debate due to instrumental limitations and spacecraft separation distances, as well as simulation limitations. The NASA/MMS fleet, which features unprecedented high time resolution instruments and four spacecraft separated by kinetic-scale distances, has also shown recently that the DF normal dynamics and its associated emissions are below the ion gyroradius scale in this region. Large variations in the dawn-dusk direction were also observed. However, most of large-scale simulations are using the MHD approach and are assumed 2D in the XZ plane. Thus, in this study we take advantage of both multi-spacecraft observations by MMS and large-scale 3D hybrid simulations to investigate the 3D dynamics of BBFs and their associated emissions at ion-scale in Earth's magnetotail, and their impact on particle heating and acceleration.

Multi-scale heat and mass transfer modelling of cell and tissue cryopreservation

PubMed Central

Xu, Feng; Moon, Sangjun; Zhang, Xiaohui; Shao, Lei; Song, Young Seok; Demirci, Utkan

2010-01-01

Cells and tissues undergo complex physical processes during cryopreservation. Understanding the underlying physical phenomena is critical to improve current cryopreservation methods and to develop new techniques. Here, we describe multi-scale approaches for modelling cell and tissue cryopreservation including heat transfer at macroscale level, crystallization, cell volume change and mass transport across cell membranes at microscale level. These multi-scale approaches allow us to study cell and tissue cryopreservation. PMID:20047939

Numerical Upscaling of Solute Transport in Fractured Porous Media Based on Flow Aligned Blocks

NASA Astrophysics Data System (ADS)

Leube, P.; Nowak, W.; Sanchez-Vila, X.

2013-12-01

High-contrast or fractured-porous media (FPM) pose one of the largest unresolved challenges for simulating large hydrogeological systems. The high contrast in advective transport between fast conduits and low-permeability rock matrix, including complex mass transfer processes, leads to the typical complex characteristics of early bulk arrivals and long tailings. Adequate direct representation of FPM requires enormous numerical resolutions. For large scales, e.g. the catchment scale, and when allowing for uncertainty in the fracture network architecture or in matrix properties, computational costs quickly reach an intractable level. In such cases, multi-scale simulation techniques have become useful tools. They allow decreasing the complexity of models by aggregating and transferring their parameters to coarser scales and so drastically reduce the computational costs. However, these advantages come at a loss of detail and accuracy. In this work, we develop and test a new multi-scale or upscaled modeling approach based on block upscaling. The novelty is that individual blocks are defined by and aligned with the local flow coordinates. We choose a multi-rate mass transfer (MRMT) model to represent the remaining sub-block non-Fickian behavior within these blocks on the coarse scale. To make the scale transition simple and to save computational costs, we capture sub-block features by temporal moments (TM) of block-wise particle arrival times to be matched with the MRMT model. By predicting spatial mass distributions of injected tracers in a synthetic test scenario, our coarse-scale solution matches reasonably well with the corresponding fine-scale reference solution. For predicting higher TM-orders (such as arrival time and effective dispersion), the prediction accuracy steadily decreases. This is compensated to some extent by the MRMT model. If the MRMT model becomes too complex, it loses its effect. We also found that prediction accuracy is sensitive to the choice of the effective dispersion coefficients and on the block resolution. A key advantage of the flow-aligned blocks is that the small-scale velocity field is reproduced quite accurately on the block-scale through their flow alignment. Thus, the block-scale transverse dispersivities remain in the similar magnitude as local ones, and they do not have to represent macroscopic uncertainty. Also, the flow-aligned blocks minimize numerical dispersion when solving the large-scale transport problem.

A High-Performance Cellular Automaton Model of Tumor Growth with Dynamically Growing Domains

PubMed Central

Poleszczuk, Jan; Enderling, Heiko

2014-01-01

Tumor growth from a single transformed cancer cell up to a clinically apparent mass spans many spatial and temporal orders of magnitude. Implementation of cellular automata simulations of such tumor growth can be straightforward but computing performance often counterbalances simplicity. Computationally convenient simulation times can be achieved by choosing appropriate data structures, memory and cell handling as well as domain setup. We propose a cellular automaton model of tumor growth with a domain that expands dynamically as the tumor population increases. We discuss memory access, data structures and implementation techniques that yield high-performance multi-scale Monte Carlo simulations of tumor growth. We discuss tumor properties that favor the proposed high-performance design and present simulation results of the tumor growth model. We estimate to which parameters the model is the most sensitive, and show that tumor volume depends on a number of parameters in a non-monotonic manner. PMID:25346862

Applying multi-resolution numerical methods to geodynamics

NASA Astrophysics Data System (ADS)

Davies, David Rhodri

Computational models yield inaccurate results if the underlying numerical grid fails to provide the necessary resolution to capture a simulation's important features. For the large-scale problems regularly encountered in geodynamics, inadequate grid resolution is a major concern. The majority of models involve multi-scale dynamics, being characterized by fine-scale upwelling and downwelling activity in a more passive, large-scale background flow. Such configurations, when coupled to the complex geometries involved, present a serious challenge for computational methods. Current techniques are unable to resolve localized features and, hence, such models cannot be solved efficiently. This thesis demonstrates, through a series of papers and closely-coupled appendices, how multi-resolution finite-element methods from the forefront of computational engineering can provide a means to address these issues. The problems examined achieve multi-resolution through one of two methods. In two-dimensions (2-D), automatic, unstructured mesh refinement procedures are utilized. Such methods improve the solution quality of convection dominated problems by adapting the grid automatically around regions of high solution gradient, yielding enhanced resolution of the associated flow features. Thermal and thermo-chemical validation tests illustrate that the technique is robust and highly successful, improving solution accuracy whilst increasing computational efficiency. These points are reinforced when the technique is applied to geophysical simulations of mid-ocean ridge and subduction zone magmatism. To date, successful goal-orientated/error-guided grid adaptation techniques have not been utilized within the field of geodynamics. The work included herein is therefore the first geodynamical application of such methods. In view of the existing three-dimensional (3-D) spherical mantle dynamics codes, which are built upon a quasi-uniform discretization of the sphere and closely coupled structured grid solution strategies, the unstructured techniques utilized in 2-D would throw away the regular grid and, with it, the major benefits of the current solution algorithms. Alternative avenues towards multi-resolution must therefore be sought. A non-uniform structured method that produces similar advantages to unstructured grids is introduced here, in the context of the pre-existing 3-D spherical mantle dynamics code, TERRA. The method, based upon the multigrid refinement techniques employed in the field of computational engineering, is used to refine and solve on a radially non-uniform grid. It maintains the key benefits of TERRA's current configuration, whilst also overcoming many of its limitations. Highly efficient solutions to non-uniform problems are obtained. The scheme is highly resourceful in terms RAM, meaning that one can attempt calculations that would otherwise be impractical. In addition, the solution algorithm reduces the CPU-time needed to solve a given problem. Validation tests illustrate that the approach is accurate and robust. Furthermore, by being conceptually simple and straightforward to implement, the method negates the need to reformulate large sections of code. The technique is applied to highly advanced 3-D spherical mantle convection models. Due to its resourcefulness in terms of RAM, the modified code allows one to efficiently resolve thermal boundary layers at the dynamical regime of Earth's mantle. The simulations presented are therefore at superior vigor to the highest attained, to date, in 3-D spherical geometry, achieving Rayleigh numbers of order 109. Upwelling structures are examined, focussing upon the nature of deep mantle plumes. Previous studies have shown long-lived, anchored, coherent upwelling plumes to be a feature of low to moderate vigor convection. Since more vigorous convection traditionally shows greater time-dependence, the fixity of upwellings would not logically be expected for non-layered convection at higher vigors. However, such configurations have recently been observed. With hot-spots widely-regarded as the surface expression of deep mantle plumes, it is of great importance to ascertain whether or not these conclusions are valid at the dynamical regime of Earth's mantle. Results demonstrate that at these high vigors, steady plumes do arise. However, they do not dominate the planform as in lower vigor cases: they coexist with mobile and ephemeral plumes and display ranging characteristics, which are consistent with hot-spot observations on Earth. Those plumes that do remain steady alter in intensity throughout the simulation, strengthening and weakening over time. Such behavior is caused by an irregular supply of cold material to the core-mantle boundary region, suggesting that subducting slabs are partially responsible for episodic plume magmatism on Earth. With this in mind, the influence of the upper boundary condition upon the planform of mantle convection is further examined. With the modified code, the CPU-time needed to solve a given problem is reduced and, hence, several simulations can be run efficiently, allowing a relatively rapid parameter space mapping of various upper boundary conditions. Results, in accordance with the investigations on upwelling structures, demonstrate that the surface exerts a profound control upon internal dynamics, manifesting itself not only in convective structures, but also in thermal profiles, Nusselt numbers and velocity patterns. Since the majority of geodynamical simulations incorporate a surface condition that is not at all representative of Earth, this is a worrying, yet important conclusion. By failing to address the surface appropriately, geodynamical models, regardless of their sophistication, cannot be truly applicable to Earth. In summary, the techniques developed herein, in both 2- and 3-D, are extremely practical and highly efficient, yielding significant advantages for geodynamical simulations. Indeed, they allow one to solve problems that would otherwise be unfeasible.

3D Vectorial Time Domain Computational Integrated Photonics

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

Kallman, J S; Bond, T C; Koning, J M

2007-02-16

The design of integrated photonic structures poses considerable challenges. 3D-Time-Domain design tools are fundamental in enabling technologies such as all-optical logic, photonic bandgap sensors, THz imaging, and fast radiation diagnostics. Such technologies are essential to LLNL and WFO sponsors for a broad range of applications: encryption for communications and surveillance sensors (NSA, NAI and IDIV/PAT); high density optical interconnects for high-performance computing (ASCI); high-bandwidth instrumentation for NIF diagnostics; micro-sensor development for weapon miniaturization within the Stockpile Stewardship and DNT programs; and applications within HSO for CBNP detection devices. While there exist a number of photonics simulation tools on the market,more » they primarily model devices of interest to the communications industry. We saw the need to extend our previous software to match the Laboratory's unique emerging needs. These include modeling novel material effects (such as those of radiation induced carrier concentrations on refractive index) and device configurations (RadTracker bulk optics with radiation induced details, Optical Logic edge emitting lasers with lateral optical inputs). In addition we foresaw significant advantages to expanding our own internal simulation codes: parallel supercomputing could be incorporated from the start, and the simulation source code would be accessible for modification and extension. This work addressed Engineering's Simulation Technology Focus Area, specifically photonics. Problems addressed from the Engineering roadmap of the time included modeling the Auston switch (an important THz source/receiver), modeling Vertical Cavity Surface Emitting Lasers (VCSELs, which had been envisioned as part of fast radiation sensors), and multi-scale modeling of optical systems (for a variety of applications). We proposed to develop novel techniques to numerically solve the 3D multi-scale propagation problem for both the microchip laser logic devices as well as devices characterized by electromagnetic (EM) propagation in nonlinear materials with time-varying parameters. The deliverables for this project were extended versions of the laser logic device code Quench2D and the EM propagation code EMsolve with new modules containing the novel solutions incorporated by taking advantage of the existing software interface and structured computational modules. Our approach was multi-faceted since no single methodology can always satisfy the tradeoff between model runtime and accuracy requirements. We divided the problems to be solved into two main categories: those that required Full Wave Methods and those that could be modeled using Approximate Methods. Full Wave techniques are useful in situations where Maxwell's equations are not separable (or the problem is small in space and time), while approximate techniques can treat many of the remaining cases.« less

Space Geodetic Technique Co-location in Space: Simulation Results for the GRASP Mission

NASA Astrophysics Data System (ADS)

Kuzmicz-Cieslak, M.; Pavlis, E. C.

2011-12-01

The Global Geodetic Observing System-GGOS, places very stringent requirements in the accuracy and stability of future realizations of the International Terrestrial Reference Frame (ITRF): an origin definition at 1 mm or better at epoch and a temporal stability on the order of 0.1 mm/y, with similar numbers for the scale (0.1 ppb) and orientation components. These goals were derived from the requirements of Earth science problems that are currently the international community's highest priority. None of the geodetic positioning techniques can achieve this goal alone. This is due in part to the non-observability of certain attributes from a single technique. Another limitation is imposed from the extent and uniformity of the tracking network and the schedule of observational availability and number of suitable targets. The final limitation derives from the difficulty to "tie" the reference points of each technique at the same site, to an accuracy that will support the GGOS goals. The future GGOS network will address decisively the ground segment and to certain extent the space segment requirements. The JPL-proposed multi-technique mission GRASP (Geodetic Reference Antenna in Space) attempts to resolve the accurate tie between techniques, using their co-location in space, onboard a well-designed spacecraft equipped with GNSS receivers, a SLR retroreflector array, a VLBI beacon and a DORIS system. Using the anticipated system performance for all four techniques at the time the GGOS network is completed (ca 2020), we generated a number of simulated data sets for the development of a TRF. Our simulation studies examine the degree to which GRASP can improve the inter-technique "tie" issue compared to the classical approach, and the likely modus operandi for such a mission. The success of the examined scenarios is judged by the quality of the origin and scale definition of the resulting TRF.

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

DOE PAGES

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

2015-12-07

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

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

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

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

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

Multi-Objective Approach for Energy-Aware Workflow Scheduling in Cloud Computing Environments

PubMed Central

Kadima, Hubert; Granado, Bertrand

2013-01-01

We address the problem of scheduling workflow applications on heterogeneous computing systems like cloud computing infrastructures. In general, the cloud workflow scheduling is a complex optimization problem which requires considering different criteria so as to meet a large number of QoS (Quality of Service) requirements. Traditional research in workflow scheduling mainly focuses on the optimization constrained by time or cost without paying attention to energy consumption. The main contribution of this study is to propose a new approach for multi-objective workflow scheduling in clouds, and present the hybrid PSO algorithm to optimize the scheduling performance. Our method is based on the Dynamic Voltage and Frequency Scaling (DVFS) technique to minimize energy consumption. This technique allows processors to operate in different voltage supply levels by sacrificing clock frequencies. This multiple voltage involves a compromise between the quality of schedules and energy. Simulation results on synthetic and real-world scientific applications highlight the robust performance of the proposed approach. PMID:24319361

Multi-objective approach for energy-aware workflow scheduling in cloud computing environments.

PubMed

Yassa, Sonia; Chelouah, Rachid; Kadima, Hubert; Granado, Bertrand

2013-01-01

We address the problem of scheduling workflow applications on heterogeneous computing systems like cloud computing infrastructures. In general, the cloud workflow scheduling is a complex optimization problem which requires considering different criteria so as to meet a large number of QoS (Quality of Service) requirements. Traditional research in workflow scheduling mainly focuses on the optimization constrained by time or cost without paying attention to energy consumption. The main contribution of this study is to propose a new approach for multi-objective workflow scheduling in clouds, and present the hybrid PSO algorithm to optimize the scheduling performance. Our method is based on the Dynamic Voltage and Frequency Scaling (DVFS) technique to minimize energy consumption. This technique allows processors to operate in different voltage supply levels by sacrificing clock frequencies. This multiple voltage involves a compromise between the quality of schedules and energy. Simulation results on synthetic and real-world scientific applications highlight the robust performance of the proposed approach.

[The research on bidirectional reflectance computer simulation of forest canopy at pixel scale].

PubMed

Song, Jin-Ling; Wang, Jin-Di; Shuai, Yan-Min; Xiao, Zhi-Qiang

2009-08-01

Computer simulation is based on computer graphics to generate the realistic 3D structure scene of vegetation, and to simulate the canopy regime using radiosity method. In the present paper, the authors expand the computer simulation model to simulate forest canopy bidirectional reflectance at pixel scale. But usually, the trees are complex structures, which are tall and have many branches. So there is almost a need for hundreds of thousands or even millions of facets to built up the realistic structure scene for the forest It is difficult for the radiosity method to compute so many facets. In order to make the radiosity method to simulate the forest scene at pixel scale, in the authors' research, the authors proposed one idea to simplify the structure of forest crowns, and abstract the crowns to ellipsoids. And based on the optical characteristics of the tree component and the characteristics of the internal energy transmission of photon in real crown, the authors valued the optical characteristics of ellipsoid surface facets. In the computer simulation of the forest, with the idea of geometrical optics model, the gap model is considered to get the forest canopy bidirectional reflectance at pixel scale. Comparing the computer simulation results with the GOMS model, and Multi-angle Imaging SpectroRadiometer (MISR) multi-angle remote sensing data, the simulation results are in agreement with the GOMS simulation result and MISR BRF. But there are also some problems to be solved. So the authors can conclude that the study has important value for the application of multi-angle remote sensing and the inversion of vegetation canopy structure parameters.

Research on techniques for computer three-dimensional simulation of satellites and night sky

NASA Astrophysics Data System (ADS)

Yan, Guangwei; Hu, Haitao

2007-11-01

To study space attack-defense technology, a simulation of satellites is needed. We design and implement a 3d simulating system of satellites. The satellites are rendered under the Night sky background. The system structure is as follows: one computer is used to simulate the orbital of satellites, the other computers are used to render 3d simulation scene. To get a realistic effect, a three-channel multi-projector display system is constructed. We use MultiGen Creator to construct satellite and star models. We use MultiGen Distributed Vega to render the three-channel scene. There are one master and three slaves. The master controls the three slaves to render three channels separately. To get satellites' positions and attitudes, the master communicates with the satellite orbit simulator based on TCP/IP protocol. Then it calculates the observer's position, the satellites' position, the moon's and the sun's position and transmits the data to the slaves. To get a smooth orbit of target satellites, an orbit prediction method is used. Because the target satellite data packets and the attack satellite data packets cannot keep synchronization in the network, a target satellite dithering phenomenon will occur when the scene is rendered. To resolve this problem, an anti-dithering algorithm is designed. To render Night sky background, a file which stores stars' position and brightness data is used. According to the brightness of each star, the stars are classified into different magnitude. The star model is scaled according to the magnitude. All the stars are distributed on a celestial sphere. Experiments show, the whole system can run correctly, and the frame rate can reach 30Hz. The system can be used in a space attack-defense simulation field.

The Parallel System for Integrating Impact Models and Sectors (pSIMS)

NASA Technical Reports Server (NTRS)

Elliott, Joshua; Kelly, David; Chryssanthacopoulos, James; Glotter, Michael; Jhunjhnuwala, Kanika; Best, Neil; Wilde, Michael; Foster, Ian

2014-01-01

We present a framework for massively parallel climate impact simulations: the parallel System for Integrating Impact Models and Sectors (pSIMS). This framework comprises a) tools for ingesting and converting large amounts of data to a versatile datatype based on a common geospatial grid; b) tools for translating this datatype into custom formats for site-based models; c) a scalable parallel framework for performing large ensemble simulations, using any one of a number of different impacts models, on clusters, supercomputers, distributed grids, or clouds; d) tools and data standards for reformatting outputs to common datatypes for analysis and visualization; and e) methodologies for aggregating these datatypes to arbitrary spatial scales such as administrative and environmental demarcations. By automating many time-consuming and error-prone aspects of large-scale climate impacts studies, pSIMS accelerates computational research, encourages model intercomparison, and enhances reproducibility of simulation results. We present the pSIMS design and use example assessments to demonstrate its multi-model, multi-scale, and multi-sector versatility.

Sub-discretized surface model with application to contact mechanics in multi-body simulation

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

Johnson, S; Williams, J

2008-02-28

The mechanics of contact between rough and imperfectly spherical adhesive powder grains are often complicated by a variety of factors, including several which vary over sub-grain length scales. These include several traction factors that vary spatially over the surface of the individual grains, including high energy electron and acceptor sites (electrostatic), hydrophobic and hydrophilic sites (electrostatic and capillary), surface energy (general adhesion), geometry (van der Waals and mechanical), and elasto-plastic deformation (mechanical). For mechanical deformation and reaction, coupled motions, such as twisting with bending and sliding, as well as surface roughness add an asymmetry to the contact force which invalidatesmore » assumptions for popular models of contact, such as the Hertzian and its derivatives, for the non-adhesive case, and the JKR and DMT models for adhesive contacts. Though several contact laws have been offered to ameliorate these drawbacks, they are often constrained to particular loading paths (most often normal loading) and are relatively complicated for computational implementation. This paper offers a simple and general computational method for augmenting contact law predictions in multi-body simulations through characterization of the contact surfaces using a hierarchically-defined surface sub-discretization. For the case of adhesive contact between powder grains in low stress regimes, this technique can allow a variety of existing contact laws to be resolved across scales, allowing for moments and torques about the contact area as well as normal and tangential tractions to be resolved. This is especially useful for multi-body simulation applications where the modeler desires statistical distributions and calibration for parameters in contact laws commonly used for resolving near-surface contact mechanics. The approach is verified against analytical results for the case of rough, elastic spheres.« less

Method of Obtaining High Resolution Intrinsic Wire Boom Damping Parameters for Multi-Body Dynamics Simulations

NASA Technical Reports Server (NTRS)

Yew, Alvin G.; Chai, Dean J.; Olney, David J.

2010-01-01

The goal of NASA's Magnetospheric MultiScale (MMS) mission is to understand magnetic reconnection with sensor measurements from four spinning satellites flown in a tight tetrahedron formation. Four of the six electric field sensors on each satellite are located at the end of 60- meter wire booms to increase measurement sensitivity in the spin plane and to minimize motion coupling from perturbations on the main body. A propulsion burn however, might induce boom oscillations that could impact science measurements if oscillations do not damp to values on the order of 0.1 degree in a timely fashion. Large damping time constants could also adversely affect flight dynamics and attitude control performance. In this paper, we will discuss the implementation of a high resolution method for calculating the boom's intrinsic damping, which was used in multi-body dynamics simulations. In summary, experimental data was obtained with a scaled-down boom, which was suspended as a pendulum in vacuum. Optical techniques were designed to accurately measure the natural decay of angular position and subsequently, data processing algorithms resulted in excellent spatial and temporal resolutions. This method was repeated in a parametric study for various lengths, root tensions and vacuum levels. For all data sets, regression models for damping were applied, including: nonlinear viscous, frequency-independent hysteretic, coulomb and some combination of them. Our data analysis and dynamics models have shown that the intrinsic damping for the baseline boom is insufficient, thereby forcing project management to explore mitigation strategies.

Time and length scales within a fire and implications for numerical simulation

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

TIESZEN,SHELDON R.

2000-02-02

A partial non-dimensionalization of the Navier-Stokes equations is used to obtain order of magnitude estimates of the rate-controlling transport processes in the reacting portion of a fire plume as a function of length scale. Over continuum length scales, buoyant times scales vary as the square root of the length scale; advection time scales vary as the length scale, and diffusion time scales vary as the square of the length scale. Due to the variation with length scale, each process is dominant over a given range. The relationship of buoyancy and baroclinc vorticity generation is highlighted. For numerical simulation, first principlesmore » solution for fire problems is not possible with foreseeable computational hardware in the near future. Filtered transport equations with subgrid modeling will be required as two to three decades of length scale are captured by solution of discretized conservation equations. By whatever filtering process one employs, one must have humble expectations for the accuracy obtainable by numerical simulation for practical fire problems that contain important multi-physics/multi-length-scale coupling with up to 10 orders of magnitude in length scale.« less

Laboratory instrumentation and techniques for characterizing multi-junction solar cells for space applications

NASA Technical Reports Server (NTRS)

Woodyard, James R.

1995-01-01

Multi-junction solar cells are attractive for space applications because they can be designed to convert a larger fraction of AMO into electrical power at a lower cost than single-junction cells. The performance of multi-junction cells is much more sensitive to the spectral irradiance of the illuminating source than single-junction cells. The design of high efficiency multi-junction cells for space applications requires matching the optoelectronic properties of the junctions to AMO spectral irradiance. Unlike single-junction cells, it is not possible to carry out quantum efficiency measurements using only a monochromatic probe beam and determining the cell short-circuit current assuming linearity of the quantum efficiency. Additionally, current-voltage characteristics can not be calculated from measurements under non-AMO light sources using spectral-correction methods. There are reports in the literature on characterizing the performance of multi junction cells by measuring and convoluting the quantum efficiency of each junction with the spectral irradiance; the technique is of limited value for the characterization of cell performance under AMO power-generating conditions. We report the results of research to develop instrumentation and techniques for characterizing multi junction solar cells for space . An integrated system is described which consists of a standard lamp, spectral radiometer, dual-source solar simulator, and personal computer based current-voltage and quantum efficiency equipment. The spectral radiometer is calibrated regularly using the tungsten-halogen standard lamp which has a calibration based on NIST scales. The solar simulator produces the light bias beam for current-voltage and cell quantum efficiency measurements. The calibrated spectral radiometer is used to 'fit' the spectral irradiance of the dual-source solar simulator to WRL AMO data. The quantum efficiency apparatus includes a monochromatic probe beam for measuring the absolute cell quantum efficiency at various voltage biases, including the voltage bias corresponding to the maximum-power point under AMO light bias. The details of the procedures to 'fit' the spectral irradiance to AMO will be discussed. An assessment of the role of the accuracy of the 'fit' of the spectral irradiance and probe beam intensity on measured cell characteristics will be presented. quantum efficiencies were measured with both spectral light bias and AMO light bias; the measurements show striking differences. Spectral irradiances were convoluted with cell quantum efficiencies to calculate cell currents as function of voltage. The calculated currents compare with measured currents at the 1% level. Measurements on a variety of multi-junction cells will be presented. The dependence of defects in junctions on cell quantum efficiencies measured under light and voltage bias conditions will be presented. Comments will be made on issues related to standards for calibration, and limitations of the instrumentation and techniques. Expeditious development of multi-junction solar cell technology for space presents challenges for cell characterization in the laboratory.

How well do the GCMs/RCMs capture the multi-scale temporal variability of precipitation in the Southwestern United States?

NASA Astrophysics Data System (ADS)

Jiang, Peng; Gautam, Mahesh R.; Zhu, Jianting; Yu, Zhongbo

2013-02-01

SummaryMulti-scale temporal variability of precipitation has an established relationship with floods and droughts. In this paper, we present the diagnostics on the ability of 16 General Circulation Models (GCMs) from Bias Corrected and Downscaled (BCSD) World Climate Research Program's (WCRP's) Coupled Model Inter-comparison Project Phase 3 (CMIP3) projections and 10 Regional Climate Models (RCMs) that participated in the North American Regional Climate Change Assessment Program (NARCCAP) to represent multi-scale temporal variability determined from the observed station data. Four regions (Los Angeles, Las Vegas, Tucson, and Cimarron) in the Southwest United States are selected as they represent four different precipitation regions classified by clustering method. We investigate how storm properties and seasonal, inter-annual, and decadal precipitation variabilities differed between GCMs/RCMs and observed records in these regions. We find that current GCMs/RCMs tend to simulate longer storm duration and lower storm intensity compared to those from observed records. Most GCMs/RCMs fail to produce the high-intensity summer storms caused by local convective heat transport associated with the summer monsoon. Both inter-annual and decadal bands are present in the GCM/RCM-simulated precipitation time series; however, these do not line up to the patterns of large-scale ocean oscillations such as El Nino/La Nina Southern Oscillation (ENSO) and Pacific Decadal Oscillation (PDO). Our results show that the studied GCMs/RCMs can capture long-term monthly mean as the examined data is bias-corrected and downscaled, but fail to simulate the multi-scale precipitation variability including flood generating extreme events, which suggests their inadequacy for studies on floods and droughts that are strongly associated with multi-scale temporal precipitation variability.

Electron Temperature Gradient Scale Measurements in ICRF Heated Plasmas at Alcator C-Mod

NASA Astrophysics Data System (ADS)

Houshmandyar, Saeid; Phillips, Perry E.; Rowan, William L.; Howard, Nathaniel T.; Greenwald, Martin

2016-10-01

It is generally believed that the temperature gradient is a driving mechanism for the turbulent transport in hot and magnetically confined plasmas. A feature of many anomalous transport models is the critical threshold value (LC) for the gradient scale length, above which both the turbulence and the heat transport increases. This threshold is also predicted by the recent multi-scale gyrokinetic simulations, which are focused on addressing the electron (and ion) heat transport in tokamaks. Recently, we have established an accurate technique (BT-jog) to directly measure the electron temperature gradient scale length (LTe =Te / ∇T) profile, using a high-spatial resolution radiometer-based electron cyclotron emission (ECE) diagnostic. For the work presented here, electrons are heated by ion cyclotron range of frequencies (ICRF) through minority heating in L-mode plasmas at different power levels, TRANSP runs determine the electron heat fluxes and the scale lengths are measured through the BT-jog technique. Furthermore, the experiment is extended for different plasma current and electron densities by which the parametric dependence of LC on magnetic shear, safety factor and density will be investigated. This work is supported by U.S. DoE OFES, under Award No. DE-FG03-96ER-54373.

Threshold for plasma phase transition of aluminum single crystal induced by hypervelocity impact

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

Ju, Yuanyuan; Zhang, Qingming, E-mail: qmzhang@bit.edu.cn

2015-12-15

Molecular dynamics method is used to study the threshold for plasma phase transition of aluminum single crystal induced by hypervelocity impact. Two effective simulation methods, piston-driven method and multi-scale shock technique, are used to simulate the shock wave. The simulation results from the two methods agree well with the experimental data, indicating that the shock wave velocity is linearly dependent on the particle velocity. The atom is considered to be ionized if the increase of its internal energy is larger than the first ionization energy. The critical impact velocity for plasma phase transition is about 13.0 km/s, corresponding to the thresholdmore » of pressure and temperature which is about 220 GPa and 11.0 × 10{sup 3 }K on the shock Hugoniot, respectively.« less

A Multi-Scale Method for Dynamics Simulation in Continuum Solvent Models I: Finite-Difference Algorithm for Navier-Stokes Equation

PubMed Central

Xiao, Li; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

2014-01-01

A multi-scale framework is proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent. This article reports our initial efforts to formulate the physical concepts necessary for coupling the two mechanics and develop a 3D numerical algorithm to simulate the solvent fluid via the Navier-Stokes equation. The numerical algorithm was validated with multiple test cases. The validation shows that the algorithm is effective and stable, with observed accuracy consistent with our design. PMID:25404761

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator.

PubMed

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation.

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator

PubMed Central

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation. PMID:28596730

Multi-hybrid method for investigation of EM scattering from inhomogeneous object above a dielectric rough surface

NASA Astrophysics Data System (ADS)

Li, Jie; Guo, LiXin; He, Qiong; Wei, Bing

2012-10-01

An iterative strategy combining Kirchhoff approximation^(KA) with the hybrid finite element-boundary integral (FE-BI) method is presented in this paper to study the interactions between the inhomogeneous object and the underlying rough surface. KA is applied to study scattering from underlying rough surfaces, whereas FE-BI deals with scattering from the above target. Both two methods use updated excitation sources. Huygens equivalence principle and an iterative strategy are employed to consider the multi-scattering effects. This hybrid FE-BI-KA scheme is an improved and generalized version of previous hybrid Kirchhoff approximation-method of moments (KA-MoM). This newly presented hybrid method has the following advantages: (1) the feasibility of modeling multi-scale scattering problems (large scale underlying surface and small scale target); (2) low memory requirement as in hybrid KA-MoM; (3) the ability to deal with scattering from inhomogeneous (including coated or layered) scatterers above rough surfaces. The numerical results are given to evaluate the accuracy of the multi-hybrid technique; the computing time and memory requirements consumed in specific numerical simulation of FE-BI-KA are compared with those of MoM. The convergence performance is analyzed by studying the iteration number variation caused by related parameters. Then bistatic scattering from inhomogeneous object of different configurations above dielectric Gaussian rough surface is calculated and the influences of dielectric compositions and surface roughness on the scattering pattern are discussed.

Numerical Investigation of Fracture Propagation in Geomaterials

NASA Astrophysics Data System (ADS)

Newell, P.; Borowski, E.; Major, J. R.; Eichhubl, P.

2015-12-01

Fracture in geomaterials is a critical behavior that affects the long-term structural response of geosystems. The processes involving fracture initiation and growth in rocks often span broad time scales and size scales, contributing to the complexity of these problems. To better understand fracture behavior, the authors propose an initial investigation comparing the fracture testing techniques of notched three-point bending (N3PB), short rod (SR), and double torsion (DT) on geomaterials using computational analysis. Linear softening cohesive fracture modeling (LCFM) was applied using ABAQUS to computationally simulate the three experimental set-ups. By applying material properties obtained experimentally, these simulations are intended to predict single-trace fracture growth. The advantages and limitations of the three testing techniques were considered for application to subcritical fracture propagation taking into account the accuracy of constraints, load applications, and modes of fracture. This work is supported as part of the Geomechanics of CO2 Reservoir Seals, a DOE-NETL funded under Award Number DE-FOA-0001037. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Cardiac Light-Sheet Fluorescent Microscopy for Multi-Scale and Rapid Imaging of Architecture and Function

NASA Astrophysics Data System (ADS)

Fei, Peng; Lee, Juhyun; Packard, René R. Sevag; Sereti, Konstantina-Ioanna; Xu, Hao; Ma, Jianguo; Ding, Yichen; Kang, Hanul; Chen, Harrison; Sung, Kevin; Kulkarni, Rajan; Ardehali, Reza; Kuo, C.-C. Jay; Xu, Xiaolei; Ho, Chih-Ming; Hsiai, Tzung K.

2016-03-01

Light Sheet Fluorescence Microscopy (LSFM) enables multi-dimensional and multi-scale imaging via illuminating specimens with a separate thin sheet of laser. It allows rapid plane illumination for reduced photo-damage and superior axial resolution and contrast. We hereby demonstrate cardiac LSFM (c-LSFM) imaging to assess the functional architecture of zebrafish embryos with a retrospective cardiac synchronization algorithm for four-dimensional reconstruction (3-D space + time). By combining our approach with tissue clearing techniques, we reveal the entire cardiac structures and hypertrabeculation of adult zebrafish hearts in response to doxorubicin treatment. By integrating the resolution enhancement technique with c-LSFM to increase the resolving power under a large field-of-view, we demonstrate the use of low power objective to resolve the entire architecture of large-scale neonatal mouse hearts, revealing the helical orientation of individual myocardial fibers. Therefore, our c-LSFM imaging approach provides multi-scale visualization of architecture and function to drive cardiovascular research with translational implication in congenital heart diseases.

A theory for protein dynamics: Global anisotropy and a normal mode approach to local complexity

NASA Astrophysics Data System (ADS)

Copperman, Jeremy; Romano, Pablo; Guenza, Marina

2014-03-01

We propose a novel Langevin equation description for the dynamics of biological macromolecules by projecting the solvent and all atomic degrees of freedom onto a set of coarse-grained sites at the single residue level. We utilize a multi-scale approach where molecular dynamic simulations are performed to obtain equilibrium structural correlations input to a modified Rouse-Zimm description which can be solved analytically. The normal mode solution provides a minimal basis set to account for important properties of biological polymers such as the anisotropic global structure, and internal motion on a complex free-energy surface. This multi-scale modeling method predicts the dynamics of both global rotational diffusion and constrained internal motion from the picosecond to the nanosecond regime, and is quantitative when compared to both simulation trajectory and NMR relaxation times. Utilizing non-equilibrium sampling techniques and an explicit treatment of the free-energy barriers in the mode coordinates, the model is extended to include biologically important fluctuations in the microsecond regime, such as bubble and fork formation in nucleic acids, and protein domain motion. This work supported by the NSF under the Graduate STEM Fellows in K-12 Education (GK-12) program, grant DGE-0742540 and NSF grant DMR-0804145, computational support from XSEDE and ACISS.

Coupling biomechanics to a cellular level model: an approach to patient-specific image driven multi-scale and multi-physics tumor simulation.

PubMed

May, Christian P; Kolokotroni, Eleni; Stamatakos, Georgios S; Büchler, Philippe

2011-10-01

Modeling of tumor growth has been performed according to various approaches addressing different biocomplexity levels and spatiotemporal scales. Mathematical treatments range from partial differential equation based diffusion models to rule-based cellular level simulators, aiming at both improving our quantitative understanding of the underlying biological processes and, in the mid- and long term, constructing reliable multi-scale predictive platforms to support patient-individualized treatment planning and optimization. The aim of this paper is to establish a multi-scale and multi-physics approach to tumor modeling taking into account both the cellular and the macroscopic mechanical level. Therefore, an already developed biomodel of clinical tumor growth and response to treatment is self-consistently coupled with a biomechanical model. Results are presented for the free growth case of the imageable component of an initially point-like glioblastoma multiforme tumor. The composite model leads to significant tumor shape corrections that are achieved through the utilization of environmental pressure information and the application of biomechanical principles. Using the ratio of smallest to largest moment of inertia of the tumor material to quantify the effect of our coupled approach, we have found a tumor shape correction of 20% by coupling biomechanics to the cellular simulator as compared to a cellular simulation without preferred growth directions. We conclude that the integration of the two models provides additional morphological insight into realistic tumor growth behavior. Therefore, it might be used for the development of an advanced oncosimulator focusing on tumor types for which morphology plays an important role in surgical and/or radio-therapeutic treatment planning. Copyright © 2011 Elsevier Ltd. All rights reserved.

Scale Interactions in the Tropics from a Simple Multi-Cloud Model

NASA Astrophysics Data System (ADS)

Niu, X.; Biello, J. A.

2017-12-01

Our lack of a complete understanding of the interaction between the moisture convection and equatorial waves remains an impediment in the numerical simulation of large-scale organization, such as the Madden-Julian Oscillation (MJO). The aim of this project is to understand interactions across spatial scales in the tropics from a simplified framework for scale interactions while a using a simplified framework to describe the basic features of moist convection. Using multiple asymptotic scales, Biello and Majda[1] derived a multi-scale model of moist tropical dynamics (IMMD[1]), which separates three regimes: the planetary scale climatology, the synoptic scale waves, and the planetary scale anomalies regime. The scales and strength of the observed MJO would categorize it in the regime of planetary scale anomalies - which themselves are forced from non-linear upscale fluxes from the synoptic scales waves. In order to close this model and determine whether it provides a self-consistent theory of the MJO. A model for diabatic heating due to moist convection must be implemented along with the IMMD. The multi-cloud parameterization is a model proposed by Khouider and Majda[2] to describe the three basic cloud types (congestus, deep and stratiform) that are most responsible for tropical diabatic heating. We implement a simplified version of the multi-cloud model that is based on results derived from large eddy simulations of convection [3]. We present this simplified multi-cloud model and show results of numerical experiments beginning with a variety of convective forcing states. Preliminary results on upscale fluxes, from synoptic scales to planetary scale anomalies, will be presented. [1] Biello J A, Majda A J. Intraseasonal multi-scale moist dynamics of the tropical atmosphere[J]. Communications in Mathematical Sciences, 2010, 8(2): 519-540. [2] Khouider B, Majda A J. A simple multicloud parameterization for convectively coupled tropical waves. Part I: Linear analysis[J]. Journal of the atmospheric sciences, 2006, 63(4): 1308-1323. [3] Dorrestijn J, Crommelin D T, Biello J A, et al. A data-driven multi-cloud model for stochastic parametrization of deep convection[J]. Philosophical Transactions of the Royal Society of London A: Mathematical, Physical and Engineering Sciences, 2013, 371(1991): 20120374.

Facing the scaling problem: A multi-methodical approach to simulate soil erosion at hillslope and catchment scale

NASA Astrophysics Data System (ADS)

Schmengler, A. C.; Vlek, P. L. G.

2012-04-01

Modelling soil erosion requires a holistic understanding of the sediment dynamics in a complex environment. As most erosion models are scale-dependent and their parameterization is spatially limited, their application often requires special care, particularly in data-scarce environments. This study presents a hierarchical approach to overcome the limitations of a single model by using various quantitative methods and soil erosion models to cope with the issues of scale. At hillslope scale, the physically-based Water Erosion Prediction Project (WEPP)-model is used to simulate soil loss and deposition processes. Model simulations of soil loss vary between 5 to 50 t ha-1 yr-1 dependent on the spatial location on the hillslope and have only limited correspondence with the results of the 137Cs technique. These differences in absolute soil loss values could be either due to internal shortcomings of each approach or to external scale-related uncertainties. Pedo-geomorphological soil investigations along a catena confirm that estimations by the 137Cs technique are more appropriate in reflecting both the spatial extent and magnitude of soil erosion at hillslope scale. In order to account for sediment dynamics at a larger scale, the spatially-distributed WaTEM/SEDEM model is used to simulate soil erosion at catchment scale and to predict sediment delivery rates into a small water reservoir. Predicted sediment yield rates are compared with results gained from a bathymetric survey and sediment core analysis. Results show that specific sediment rates of 0.6 t ha-1 yr-1 by the model are in close agreement with observed sediment yield calculated from stratigraphical changes and downcore variations in 137Cs concentrations. Sediment erosion rates averaged over the entire catchment of 1 to 2 t ha-1 yr-1 are significantly lower than results obtained at hillslope scale confirming an inverse correlation between the magnitude of erosion rates and the spatial scale of the model. The study has shown that the use of multiple methods facilitates the calibration and validation of models and might provide a more accurate measure for soil erosion rates in ungauged catchments. Moreover, the approach could be used to identify the most appropriate working and operational scales for soil erosion modelling.

Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling.

PubMed

Martins-Costa, Marilia T C; Ruiz-López, Manuel F

2017-04-15

We report an enhanced sampling technique that allows to reach the multi-nanosecond timescale in quantum mechanics/molecular mechanics molecular dynamics simulations. The proposed technique, called horsetail sampling, is a specific type of multiple molecular dynamics approach exhibiting high parallel efficiency. It couples a main simulation with a large number of shorter trajectories launched on independent processors at periodic time intervals. The technique is applied to study hydrogen peroxide at the water liquid-vapor interface, a system of considerable atmospheric relevance. A total simulation time of a little more than 6 ns has been attained for a total CPU time of 5.1 years representing only about 20 days of wall-clock time. The discussion of the results highlights the strong influence of the solvation effects at the interface on the structure and the electronic properties of the solute. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Evaluation of the phase properties of hydrating cement composite using simulated nanoindentation technique

NASA Astrophysics Data System (ADS)

Gautham, S.; Sindu, B. S.; Sasmal, Saptarshi

2017-10-01

Properties and distribution of the products formed during the hydration of cementitious composite at the microlevel are investigated using a nanoindentation technique. First, numerical nanoindentation using nonlinear contact mechanics is carried out on three different phase compositions of cement paste, viz. mono-phase Tri-calcium Silicate (C3S), Di-calcium Silicate (C2S) and Calcium-Silicate-Hydrate (CSH) individually), bi-phase (C3S-CSH, C2S-CSH) and multi-phase (more than 10 individual phases including water pores). To reflect the multi-phase characteristics of hydrating cement composite, a discretized multi-phase microstructural model of cement composite during the progression of hydration is developed. Further, a grid indentation technique for simulated nanoindentation is established, and employed to evaluate the mechanical characteristics of the hydrated multi-phase cement paste. The properties obtained from the numerical studies are compared with those obtained from experimental grid nanoindentation. The influence of composition and distribution of individual phase properties on the properties obtained from indentation are closely investigated. The study paves the way to establishing the procedure for simulated grid nanoindentation to evaluate the mechanical properties of heterogeneous composites, and facilitates the design of experimental nanoindentation.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

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

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

A Unified Multi-scale Model for Cross-Scale Evaluation and Integration of Hydrological and Biogeochemical Processes

NASA Astrophysics Data System (ADS)

Liu, C.; Yang, X.; Bailey, V. L.; Bond-Lamberty, B. P.; Hinkle, C.

2013-12-01

Mathematical representations of hydrological and biogeochemical processes in soil, plant, aquatic, and atmospheric systems vary with scale. Process-rich models are typically used to describe hydrological and biogeochemical processes at the pore and small scales, while empirical, correlation approaches are often used at the watershed and regional scales. A major challenge for multi-scale modeling is that water flow, biogeochemical processes, and reactive transport are described using different physical laws and/or expressions at the different scales. For example, the flow is governed by the Navier-Stokes equations at the pore-scale in soils, by the Darcy law in soil columns and aquifer, and by the Navier-Stokes equations again in open water bodies (ponds, lake, river) and atmosphere surface layer. This research explores whether the physical laws at the different scales and in different physical domains can be unified to form a unified multi-scale model (UMSM) to systematically investigate the cross-scale, cross-domain behavior of fundamental processes at different scales. This presentation will discuss our research on the concept, mathematical equations, and numerical execution of the UMSM. Three-dimensional, multi-scale hydrological processes at the Disney Wilderness Preservation (DWP) site, Florida will be used as an example for demonstrating the application of the UMSM. In this research, the UMSM was used to simulate hydrological processes in rooting zones at the pore and small scales including water migration in soils under saturated and unsaturated conditions, root-induced hydrological redistribution, and role of rooting zone biogeochemical properties (e.g., root exudates and microbial mucilage) on water storage and wetting/draining. The small scale simulation results were used to estimate effective water retention properties in soil columns that were superimposed on the bulk soil water retention properties at the DWP site. The UMSM parameterized from smaller scale simulations were then used to simulate coupled flow and moisture migration in soils in saturated and unsaturated zones, surface and groundwater exchange, and surface water flow in streams and lakes at the DWP site under dynamic precipitation conditions. Laboratory measurements of soil hydrological and biogeochemical properties are used to parameterize the UMSM at the small scales, and field measurements are used to evaluate the UMSM.

SMR Re-Scaling and Modeling for Load Following Studies

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

Hoover, K.; Wu, Q.; Bragg-Sitton, S.

2016-11-01

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

Fast and Accurate Simulation of the Cray XMT Multithreaded Supercomputer

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

Villa, Oreste; Tumeo, Antonino; Secchi, Simone

Irregular applications, such as data mining and analysis or graph-based computations, show unpredictable memory/network access patterns and control structures. Highly multithreaded architectures with large processor counts, like the Cray MTA-1, MTA-2 and XMT, appear to address their requirements better than commodity clusters. However, the research on highly multithreaded systems is currently limited by the lack of adequate architectural simulation infrastructures due to issues such as size of the machines, memory footprint, simulation speed, accuracy and customization. At the same time, Shared-memory MultiProcessors (SMPs) with multi-core processors have become an attractive platform to simulate large scale machines. In this paper, wemore » introduce a cycle-level simulator of the highly multithreaded Cray XMT supercomputer. The simulator runs unmodified XMT applications. We discuss how we tackled the challenges posed by its development, detailing the techniques introduced to make the simulation as fast as possible while maintaining a high accuracy. By mapping XMT processors (ThreadStorm with 128 hardware threads) to host computing cores, the simulation speed remains constant as the number of simulated processors increases, up to the number of available host cores. The simulator supports zero-overhead switching among different accuracy levels at run-time and includes a network model that takes into account contention. On a modern 48-core SMP host, our infrastructure simulates a large set of irregular applications 500 to 2000 times slower than real time when compared to a 128-processor XMT, while remaining within 10\\% of accuracy. Emulation is only from 25 to 200 times slower than real time.« less

Strategies for efficient numerical implementation of hybrid multi-scale agent-based models to describe biological systems

PubMed Central

Cilfone, Nicholas A.; Kirschner, Denise E.; Linderman, Jennifer J.

2015-01-01

Biologically related processes operate across multiple spatiotemporal scales. For computational modeling methodologies to mimic this biological complexity, individual scale models must be linked in ways that allow for dynamic exchange of information across scales. A powerful methodology is to combine a discrete modeling approach, agent-based models (ABMs), with continuum models to form hybrid models. Hybrid multi-scale ABMs have been used to simulate emergent responses of biological systems. Here, we review two aspects of hybrid multi-scale ABMs: linking individual scale models and efficiently solving the resulting model. We discuss the computational choices associated with aspects of linking individual scale models while simultaneously maintaining model tractability. We demonstrate implementations of existing numerical methods in the context of hybrid multi-scale ABMs. Using an example model describing Mycobacterium tuberculosis infection, we show relative computational speeds of various combinations of numerical methods. Efficient linking and solution of hybrid multi-scale ABMs is key to model portability, modularity, and their use in understanding biological phenomena at a systems level. PMID:26366228

Simulating neural systems with Xyce.

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

Schiek, Richard Louis; Thornquist, Heidi K.; Mei, Ting

2012-12-01

Sandias parallel circuit simulator, Xyce, can address large scale neuron simulations in a new way extending the range within which one can perform high-fidelity, multi-compartment neuron simulations. This report documents the implementation of neuron devices in Xyce, their use in simulation and analysis of neuron systems.

Modeling and simulation of multi-physics multi-scale transport phenomenain bio-medical applications

NASA Astrophysics Data System (ADS)

Kenjereš, Saša

2014-08-01

We present a short overview of some of our most recent work that combines the mathematical modeling, advanced computer simulations and state-of-the-art experimental techniques of physical transport phenomena in various bio-medical applications. In the first example, we tackle predictions of complex blood flow patterns in the patient-specific vascular system (carotid artery bifurcation) and transfer of the so-called "bad" cholesterol (low-density lipoprotein, LDL) within the multi-layered artery wall. This two-way coupling between the blood flow and corresponding mass transfer of LDL within the artery wall is essential for predictions of regions where atherosclerosis can develop. It is demonstrated that a recently developed mathematical model, which takes into account the complex multi-layer arterial-wall structure, produced LDL profiles within the artery wall in good agreement with in-vivo experiments in rabbits, and it can be used for predictions of locations where the initial stage of development of atherosclerosis may take place. The second example includes a combination of pulsating blood flow and medical drug delivery and deposition controlled by external magnetic field gradients in the patient specific carotid artery bifurcation. The results of numerical simulations are compared with own PIV (Particle Image Velocimetry) and MRI (Magnetic Resonance Imaging) in the PDMS (silicon-based organic polymer) phantom. A very good agreement between simulations and experiments is obtained for different stages of the pulsating cycle. Application of the magnetic drug targeting resulted in an increase of up to ten fold in the efficiency of local deposition of the medical drug at desired locations. Finally, the LES (Large Eddy Simulation) of the aerosol distribution within the human respiratory system that includes up to eight bronchial generations is performed. A very good agreement between simulations and MRV (Magnetic Resonance Velocimetry) measurements is obtained. Magnetic steering of aerosols towards the left or right part of lungs proved to be possible, which can open new strategies for medical treatment of respiratory diseases.

Use of simulated evaporation to assess the potential for scale formation during reverse osmosis desalination

USGS Publications Warehouse

Huff, G.F.

2004-01-01

The tendency of solutes in input water to precipitate efficiency lowering scale deposits on the membranes of reverse osmosis (RO) desalination systems is an important factor in determining the suitability of input water for desalination. Simulated input water evaporation can be used as a technique to quantitatively assess the potential for scale formation in RO desalination systems. The technique was demonstrated by simulating the increase in solute concentrations required to form calcite, gypsum, and amorphous silica scales at 25??C and 40??C from 23 desalination input waters taken from the literature. Simulation results could be used to quantitatively assess the potential of a given input water to form scale or to compare the potential of a number of input waters to form scale during RO desalination. Simulated evaporation of input waters cannot accurately predict the conditions under which scale will form owing to the effects of potentially stable supersaturated solutions, solution velocity, and residence time inside RO systems. However, the simulated scale-forming potential of proposed input waters could be compared with the simulated scale-forming potentials and actual scale-forming properties of input waters having documented operational histories in RO systems. This may provide a technique to estimate the actual performance and suitability of proposed input waters during RO.

Sculpting Mountains: Interactive Terrain Modeling Based on Subsurface Geology.

PubMed

Cordonnier, Guillaume; Cani, Marie-Paule; Benes, Bedrich; Braun, Jean; Galin, Eric

2018-05-01

Most mountain ranges are formed by the compression and folding of colliding tectonic plates. Subduction of one plate causes large-scale asymmetry while their layered composition (or stratigraphy) explains the multi-scale folded strata observed on real terrains. We introduce a novel interactive modeling technique to generate visually plausible, large scale terrains that capture these phenomena. Our method draws on both geological knowledge for consistency and on sculpting systems for user interaction. The user is provided hands-on control on the shape and motion of tectonic plates, represented using a new geologically-inspired model for the Earth crust. The model captures their volume preserving and complex folding behaviors under collision, causing mountains to grow. It generates a volumetric uplift map representing the growth rate of subsurface layers. Erosion and uplift movement are jointly simulated to generate the terrain. The stratigraphy allows us to render folded strata on eroded cliffs. We validated the usability of our sculpting interface through a user study, and compare the visual consistency of the earth crust model with geological simulation results and real terrains.

Multi-level methods and approximating distribution functions

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

Wilson, D., E-mail: daniel.wilson@dtc.ox.ac.uk; Baker, R. E.

2016-07-15

Biochemical reaction networks are often modelled using discrete-state, continuous-time Markov chains. System statistics of these Markov chains usually cannot be calculated analytically and therefore estimates must be generated via simulation techniques. There is a well documented class of simulation techniques known as exact stochastic simulation algorithms, an example of which is Gillespie’s direct method. These algorithms often come with high computational costs, therefore approximate stochastic simulation algorithms such as the tau-leap method are used. However, in order to minimise the bias in the estimates generated using them, a relatively small value of tau is needed, rendering the computational costs comparablemore » to Gillespie’s direct method. The multi-level Monte Carlo method (Anderson and Higham, Multiscale Model. Simul. 10:146–179, 2012) provides a reduction in computational costs whilst minimising or even eliminating the bias in the estimates of system statistics. This is achieved by first crudely approximating required statistics with many sample paths of low accuracy. Then correction terms are added until a required level of accuracy is reached. Recent literature has primarily focussed on implementing the multi-level method efficiently to estimate a single system statistic. However, it is clearly also of interest to be able to approximate entire probability distributions of species counts. We present two novel methods that combine known techniques for distribution reconstruction with the multi-level method. We demonstrate the potential of our methods using a number of examples.« less

Multi-Modal Transportation System Simulation

DOT National Transportation Integrated Search

1971-01-01

THE PRESENT STATUS OF A LABORATORY BEING DEVELOPED FOR REAL-TIME SIMULATION OF COMMAND AND CONTROL FUNCTIONS IN TRANSPORTATION SYSTEMS IS DISCUSSED. DETAILS ARE GIVEN ON THE SIMULATION MODELS AND ON PROGRAMMING TECHNIQUES USED IN DEFINING AND EVALUAT...

Structural and Practical Identifiability Issues of Immuno-Epidemiological Vector-Host Models with Application to Rift Valley Fever.

PubMed

Tuncer, Necibe; Gulbudak, Hayriye; Cannataro, Vincent L; Martcheva, Maia

2016-09-01

In this article, we discuss the structural and practical identifiability of a nested immuno-epidemiological model of arbovirus diseases, where host-vector transmission rate, host recovery, and disease-induced death rates are governed by the within-host immune system. We incorporate the newest ideas and the most up-to-date features of numerical methods to fit multi-scale models to multi-scale data. For an immunological model, we use Rift Valley Fever Virus (RVFV) time-series data obtained from livestock under laboratory experiments, and for an epidemiological model we incorporate a human compartment to the nested model and use the number of human RVFV cases reported by the CDC during the 2006-2007 Kenya outbreak. We show that the immunological model is not structurally identifiable for the measurements of time-series viremia concentrations in the host. Thus, we study the non-dimensionalized and scaled versions of the immunological model and prove that both are structurally globally identifiable. After fixing estimated parameter values for the immunological model derived from the scaled model, we develop a numerical method to fit observable RVFV epidemiological data to the nested model for the remaining parameter values of the multi-scale system. For the given (CDC) data set, Monte Carlo simulations indicate that only three parameters of the epidemiological model are practically identifiable when the immune model parameters are fixed. Alternatively, we fit the multi-scale data to the multi-scale model simultaneously. Monte Carlo simulations for the simultaneous fitting suggest that the parameters of the immunological model and the parameters of the immuno-epidemiological model are practically identifiable. We suggest that analytic approaches for studying the structural identifiability of nested models are a necessity, so that identifiable parameter combinations can be derived to reparameterize the nested model to obtain an identifiable one. This is a crucial step in developing multi-scale models which explain multi-scale data.

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

USDA-ARS?s Scientific Manuscript database

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

Predicting agricultural impacts of large-scale drought: 2012 and the case for better modeling

USDA-ARS?s Scientific Manuscript database

We present an example of a simulation-based forecast for the 2012 U.S. maize growing season produced as part of a high-resolution, multi-scale, predictive mechanistic modeling study designed for decision support, risk management, and counterfactual analysis. The simulations undertaken for this analy...

Application of multi-objective nonlinear optimization technique for coordinated ramp-metering

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

Haj Salem, Habib; Farhi, Nadir; Lebacque, Jean Patrick, E-mail: abib.haj-salem@ifsttar.fr, E-mail: nadir.frahi@ifsttar.fr, E-mail: jean-patrick.lebacque@ifsttar.fr

2015-03-10

This paper aims at developing a multi-objective nonlinear optimization algorithm applied to coordinated motorway ramp metering. The multi-objective function includes two components: traffic and safety. Off-line simulation studies were performed on A4 France Motorway including 4 on-ramps.

Multi-Scale Models for the Scale Interaction of Organized Tropical Convection

NASA Astrophysics Data System (ADS)

Yang, Qiu

Assessing the upscale impact of organized tropical convection from small spatial and temporal scales is a research imperative, not only for having a better understanding of the multi-scale structures of dynamical and convective fields in the tropics, but also for eventually helping in the design of new parameterization strategies to improve the next-generation global climate models. Here self-consistent multi-scale models are derived systematically by following the multi-scale asymptotic methods and used to describe the hierarchical structures of tropical atmospheric flows. The advantages of using these multi-scale models lie in isolating the essential components of multi-scale interaction and providing assessment of the upscale impact of the small-scale fluctuations onto the large-scale mean flow through eddy flux divergences of momentum and temperature in a transparent fashion. Specifically, this thesis includes three research projects about multi-scale interaction of organized tropical convection, involving tropical flows at different scaling regimes and utilizing different multi-scale models correspondingly. Inspired by the observed variability of tropical convection on multiple temporal scales, including daily and intraseasonal time scales, the goal of the first project is to assess the intraseasonal impact of the diurnal cycle on the planetary-scale circulation such as the Hadley cell. As an extension of the first project, the goal of the second project is to assess the intraseasonal impact of the diurnal cycle over the Maritime Continent on the Madden-Julian Oscillation. In the third project, the goals are to simulate the baroclinic aspects of the ITCZ breakdown and assess its upscale impact on the planetary-scale circulation over the eastern Pacific. These simple multi-scale models should be useful to understand the scale interaction of organized tropical convection and help improve the parameterization of unresolved processes in global climate models.

Mapping of land cover in northern California with simulated hyperspectral satellite imagery

NASA Astrophysics Data System (ADS)

Clark, Matthew L.; Kilham, Nina E.

2016-09-01

Land-cover maps are important science products needed for natural resource and ecosystem service management, biodiversity conservation planning, and assessing human-induced and natural drivers of land change. Analysis of hyperspectral, or imaging spectrometer, imagery has shown an impressive capacity to map a wide range of natural and anthropogenic land cover. Applications have been mostly with single-date imagery from relatively small spatial extents. Future hyperspectral satellites will provide imagery at greater spatial and temporal scales, and there is a need to assess techniques for mapping land cover with these data. Here we used simulated multi-temporal HyspIRI satellite imagery over a 30,000 km2 area in the San Francisco Bay Area, California to assess its capabilities for mapping classes defined by the international Land Cover Classification System (LCCS). We employed a mapping methodology and analysis framework that is applicable to regional and global scales. We used the Random Forests classifier with three sets of predictor variables (reflectance, MNF, hyperspectral metrics), two temporal resolutions (summer, spring-summer-fall), two sample scales (pixel, polygon) and two levels of classification complexity (12, 20 classes). Hyperspectral metrics provided a 16.4-21.8% and 3.1-6.7% increase in overall accuracy relative to MNF and reflectance bands, respectively, depending on pixel or polygon scales of analysis. Multi-temporal metrics improved overall accuracy by 0.9-3.1% over summer metrics, yet increases were only significant at the pixel scale of analysis. Overall accuracy at pixel scales was 72.2% (Kappa 0.70) with three seasons of metrics. Anthropogenic and homogenous natural vegetation classes had relatively high confidence and producer and user accuracies were over 70%; in comparison, woodland and forest classes had considerable confusion. We next focused on plant functional types with relatively pure spectra by removing open-canopy shrublands, woodlands and mixed forests from the classification. This 12-class map had significantly improved accuracy of 85.1% (Kappa 0.83) and most classes had over 70% producer and user accuracies. Finally, we summarized important metrics from the multi-temporal Random Forests to infer the underlying chemical and structural properties that best discriminated our land-cover classes across seasons.

Reduced and Validated Kinetic Mechanisms for Hydrogen-CO-sir Combustion in Gas Turbines

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

Yiguang Ju; Frederick Dryer

2009-02-07

Rigorous experimental, theoretical, and numerical investigation of various issues relevant to the development of reduced, validated kinetic mechanisms for synthetic gas combustion in gas turbines was carried out - including the construction of new radiation models for combusting flows, improvement of flame speed measurement techniques, measurements and chemical kinetic analysis of H{sub 2}/CO/CO{sub 2}/O{sub 2}/diluent mixtures, revision of the H{sub 2}/O{sub 2} kinetic model to improve flame speed prediction capabilities, and development of a multi-time scale algorithm to improve computational efficiency in reacting flow simulations.

Neural simulations on multi-core architectures.

PubMed

Eichner, Hubert; Klug, Tobias; Borst, Alexander

2009-01-01

Neuroscience is witnessing increasing knowledge about the anatomy and electrophysiological properties of neurons and their connectivity, leading to an ever increasing computational complexity of neural simulations. At the same time, a rather radical change in personal computer technology emerges with the establishment of multi-cores: high-density, explicitly parallel processor architectures for both high performance as well as standard desktop computers. This work introduces strategies for the parallelization of biophysically realistic neural simulations based on the compartmental modeling technique and results of such an implementation, with a strong focus on multi-core architectures and automation, i.e. user-transparent load balancing.

Neural Simulations on Multi-Core Architectures

PubMed Central

Eichner, Hubert; Klug, Tobias; Borst, Alexander

2009-01-01

Neuroscience is witnessing increasing knowledge about the anatomy and electrophysiological properties of neurons and their connectivity, leading to an ever increasing computational complexity of neural simulations. At the same time, a rather radical change in personal computer technology emerges with the establishment of multi-cores: high-density, explicitly parallel processor architectures for both high performance as well as standard desktop computers. This work introduces strategies for the parallelization of biophysically realistic neural simulations based on the compartmental modeling technique and results of such an implementation, with a strong focus on multi-core architectures and automation, i.e. user-transparent load balancing. PMID:19636393

Impact of Variable-Resolution Meshes on Regional Climate Simulations

NASA Astrophysics Data System (ADS)

Fowler, L. D.; Skamarock, W. C.; Bruyere, C. L.

2014-12-01

The Model for Prediction Across Scales (MPAS) is currently being used for seasonal-scale simulations on globally-uniform and regionally-refined meshes. Our ongoing research aims at analyzing simulations of tropical convective activity and tropical cyclone development during one hurricane season over the North Atlantic Ocean, contrasting statistics obtained with a variable-resolution mesh against those obtained with a quasi-uniform mesh. Analyses focus on the spatial distribution, frequency, and intensity of convective and grid-scale precipitations, and their relative contributions to the total precipitation as a function of the horizontal scale. Multi-month simulations initialized on May 1st 2005 using ERA-Interim re-analyses indicate that MPAS performs satisfactorily as a regional climate model for different combinations of horizontal resolutions and transitions between the coarse and refined meshes. Results highlight seamless transitions for convection, cloud microphysics, radiation, and land-surface processes between the quasi-uniform and locally- refined meshes, despite the fact that the physics parameterizations were not developed for variable resolution meshes. Our goal of analyzing the performance of MPAS is twofold. First, we want to establish that MPAS can be successfully used as a regional climate model, bypassing the need for nesting and nudging techniques at the edges of the computational domain as done in traditional regional climate modeling. Second, we want to assess the performance of our convective and cloud microphysics parameterizations as the horizontal resolution varies between the lower-resolution quasi-uniform and higher-resolution locally-refined areas of the global domain.

Impact of Variable-Resolution Meshes on Regional Climate Simulations

NASA Astrophysics Data System (ADS)

Fowler, L. D.; Skamarock, W. C.; Bruyere, C. L.

2013-12-01

The Model for Prediction Across Scales (MPAS) is currently being used for seasonal-scale simulations on globally-uniform and regionally-refined meshes. Our ongoing research aims at analyzing simulations of tropical convective activity and tropical cyclone development during one hurricane season over the North Atlantic Ocean, contrasting statistics obtained with a variable-resolution mesh against those obtained with a quasi-uniform mesh. Analyses focus on the spatial distribution, frequency, and intensity of convective and grid-scale precipitations, and their relative contributions to the total precipitation as a function of the horizontal scale. Multi-month simulations initialized on May 1st 2005 using NCEP/NCAR re-analyses indicate that MPAS performs satisfactorily as a regional climate model for different combinations of horizontal resolutions and transitions between the coarse and refined meshes. Results highlight seamless transitions for convection, cloud microphysics, radiation, and land-surface processes between the quasi-uniform and locally-refined meshes, despite the fact that the physics parameterizations were not developed for variable resolution meshes. Our goal of analyzing the performance of MPAS is twofold. First, we want to establish that MPAS can be successfully used as a regional climate model, bypassing the need for nesting and nudging techniques at the edges of the computational domain as done in traditional regional climate modeling. Second, we want to assess the performance of our convective and cloud microphysics parameterizations as the horizontal resolution varies between the lower-resolution quasi-uniform and higher-resolution locally-refined areas of the global domain.

Study on bubbly flow behavior in natural circulation reactor by thermal-hydraulic simulation tests with SF6-Gas and ethanol liquid

NASA Astrophysics Data System (ADS)

Kondo, Yoshiyuki; Suga, Keishi; Hibi, Koki; Okazaki, Toshihiko; Komeno, Toshihiro; Kunugi, Tomoaki; Serizawa, Akimi; Yoneda, Kimitoshi; Arai, Takahiro

2009-02-01

An advanced experimental technique has been developed to simulate two-phase flow behavior in a light water reactor (LWR). The technique applies three kinds of methods; (1) use of sulfur-hexafluoride (SF6) gas and ethanol (C2H5OH) liquid at atmospheric temperature and a pressure less than 1.0MPa, where the fluid properties are similar to steam-water ones in the LWR, (2) generation of bubble with a sintering tube, which simulates bubble generation on heated surface in the LWR, (3) measurement of detailed bubble distribution data with a bi-optical probe (BOP), (4) and measurement of liquid velocities with the tracer liquid. This experimental technique provides easy visualization of flows by using a large scale experimental apparatus, which gives three-dimensional flows, and measurement of detailed spatial distributions of two-phase flow. With this technique, we have carried out experiments simulating two-phase flow behavior in a single-channel geometry, a multi-rod-bundle one, and a horizontal-tube-bundle one on a typical natural circulation reactor system. Those experiments have clarified a) a flow regime map in a rod bundle on the transient region between bubbly and churn flow, b) three-dimensional flow behaviour in rod-bundles where inter-subassembly cross-flow occurs, c) bubble-separation behavior with consideration of reactor internal structures. The data have given analysis models for the natural circulation reactor design with good extrapolation.

Engineering design of sub-micron topographies for simultaneously adherent and reflective metal-polymer interfaces

NASA Technical Reports Server (NTRS)

Brown, Christopher A.

1993-01-01

The approach of the project is to base the design of multi-function, reflective topographies on the theory that topographically dependent phenomena react with surfaces and interfaces at certain scales. The first phase of the project emphasizes the development of methods for understanding the sizes of topographic features which influence reflectivity. Subsequent phases, if necessary, will address the scales of interaction for adhesion and manufacturing processes. A simulation of the interaction of electromagnetic radiation, or light, with a reflective surface is performed using specialized software. Reflectivity of the surface as a function of scale is evaluated and the results from the simulation are compared with reflectivity measurements made on multi-function, reflective surfaces.

3D printing application and numerical simulations in a fracture system

NASA Astrophysics Data System (ADS)

Yoon, H.; Martinez, M. J.

2017-12-01

The hydrogeological and mechanical properties in fractured and porous media are fundamental to predicting coupled multiphysics processes in the subsurface. Recent advances in experimental methods and multi-scale imaging capabilities have revolutionized our ability to quantitatively characterize geomaterials and digital counterparts are now routinely used for numerical simulations to characterize petrophysical and mechanical properties across scales. 3D printing is a very effective and creative technique that reproduce the digital images in a controlled way. For geoscience applications, 3D printing can be co-opted to print reproducible porous and fractured structures derived from CT-imaging of actual rocks and theoretical algorithms for experimental testing. In this work we used a stereolithography (SLA) method to create a single fracture network. The fracture in shale was first scanned using a microCT system and then the digital fracture network was printed into two parts and assembled. Aperture ranges from 0.3 to 1 mm. In particular, we discuss the design of single fracture network and the progress of printing practices to reproduce the fracture network system. Printed samples at different scales are used to measure the permeability and surface roughness. Various numerical simulations including (non-)reactive transport and multiphase flow cases are performed to study fluid flow characterization. We will also discuss the innovative advancement of 3D printing techniques applicable for coupled processes in the subsurface. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

NASA Langley Distributed Propulsion VTOL Tilt-Wing Aircraft Testing, Modeling, Simulation, Control, and Flight Test Development

NASA Technical Reports Server (NTRS)

Rothhaar, Paul M.; Murphy, Patrick C.; Bacon, Barton J.; Gregory, Irene M.; Grauer, Jared A.; Busan, Ronald C.; Croom, Mark A.

2014-01-01

Control of complex Vertical Take-Off and Landing (VTOL) aircraft traversing from hovering to wing born flight mode and back poses notoriously difficult modeling, simulation, control, and flight-testing challenges. This paper provides an overview of the techniques and advances required to develop the GL-10 tilt-wing, tilt-tail, long endurance, VTOL aircraft control system. The GL-10 prototype's unusual and complex configuration requires application of state-of-the-art techniques and some significant advances in wind tunnel infrastructure automation, efficient Design Of Experiments (DOE) tunnel test techniques, modeling, multi-body equations of motion, multi-body actuator models, simulation, control algorithm design, and flight test avionics, testing, and analysis. The following compendium surveys key disciplines required to develop an effective control system for this challenging vehicle in this on-going effort.

Failure analysis of fuel cell electrodes using three-dimensional multi-length scale X-ray computed tomography

NASA Astrophysics Data System (ADS)

Pokhrel, A.; El Hannach, M.; Orfino, F. P.; Dutta, M.; Kjeang, E.

2016-10-01

X-ray computed tomography (XCT), a non-destructive technique, is proposed for three-dimensional, multi-length scale characterization of complex failure modes in fuel cell electrodes. Comparative tomography data sets are acquired for a conditioned beginning of life (BOL) and a degraded end of life (EOL) membrane electrode assembly subjected to cathode degradation by voltage cycling. Micro length scale analysis shows a five-fold increase in crack size and 57% thickness reduction in the EOL cathode catalyst layer, indicating widespread action of carbon corrosion. Complementary nano length scale analysis shows a significant reduction in porosity, increased pore size, and dramatically reduced effective diffusivity within the remaining porous structure of the catalyst layer at EOL. Collapsing of the structure is evident from the combination of thinning and reduced porosity, as uniquely determined by the multi-length scale approach. Additionally, a novel image processing based technique developed for nano scale segregation of pore, ionomer, and Pt/C dominated voxels shows an increase in ionomer volume fraction, Pt/C agglomerates, and severe carbon corrosion at the catalyst layer/membrane interface at EOL. In summary, XCT based multi-length scale analysis enables detailed information needed for comprehensive understanding of the complex failure modes observed in fuel cell electrodes.

High-rate RTK and PPP multi-GNSS positioning for small-scale dynamic displacements monitoring

NASA Astrophysics Data System (ADS)

Paziewski, Jacek; Sieradzki, Rafał; Baryła, Radosław; Wielgosz, Pawel

2017-04-01

The monitoring of dynamic displacements and deformations of engineering structures such as buildings, towers and bridges is of great interest due to several practical and theoretical reasons. The most important is to provide information required for safe maintenance of the constructions. High temporal resolution and precision of GNSS observations predestine this technology to be applied to most demanding application in terms of accuracy, availability and reliability. GNSS technique supported by appropriate processing methodology may meet the specific demands and requirements of ground and structures monitoring. Thus, high-rate multi-GNSS signals may be used as reliable source of information on dynamic displacements of ground and engineering structures, also in real time applications. In this study we present initial results of application of precise relative GNSS positioning for detection of small scale (cm level) high temporal resolution dynamic displacements. Methodology and algorithms applied in self-developed software allowing for relative positioning using high-rate dual-frequency phase and pseudorange GPS+Galileo observations are also given. Additionally, an approach was also made to use the Precise Point Positioning technique to such application. In the experiment were used the observations obtained from high-rate (20 Hz) geodetic receivers. The dynamic displacements were simulated using specially constructed device moving GNSS antenna with dedicated amplitude and frequency. The obtained results indicate on possibility of detection of dynamic displacements of the GNSS antenna even at the level of few millimetres using both relative and Precise Point Positioning techniques after suitable signals processing.

Ultrafast semi-metallic layer formation in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, M. Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2008-03-01

We present the first quantum molecular dynamics simulations behind a detonation front (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic density of states around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness and conductivity followed by a reduction around 100 picoseconds behind the front. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution. The transient transformation to a semi-metallic state can be understood within the Anderson picture of metallization.

A semi-metallic layer in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2007-06-01

We present the first ever glimpse behind a detonation front in a chemically reactive quantum molecular dynamics simulation (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic DOS around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness followed by a reduction in optical thickness hundreds of picoseconds behind the front, explaining recent experimental observations. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution and a possible Mott metal-insulator transition.

Dynamics analysis of the fast-slow hydro-turbine governing system with different time-scale coupling

NASA Astrophysics Data System (ADS)

Zhang, Hao; Chen, Diyi; Wu, Changzhi; Wang, Xiangyu

2018-01-01

Multi-time scales modeling of hydro-turbine governing system is crucial in precise modeling of hydropower plant and provides support for the stability analysis of the system. Considering the inertia and response time of the hydraulic servo system, the hydro-turbine governing system is transformed into the fast-slow hydro-turbine governing system. The effects of the time-scale on the dynamical behavior of the system are analyzed and the fast-slow dynamical behaviors of the system are investigated with different time-scale. Furthermore, the theoretical analysis of the stable regions is presented. The influences of the time-scale on the stable region are analyzed by simulation. The simulation results prove the correctness of the theoretical analysis. More importantly, the methods and results of this paper provide a perspective to multi-time scales modeling of hydro-turbine governing system and contribute to the optimization analysis and control of the system.

Multi-fluid Dynamics for Supersonic Jet-and-Crossflows and Liquid Plug Rupture

NASA Astrophysics Data System (ADS)

Hassan, Ezeldin A.

Multi-fluid dynamics simulations require appropriate numerical treatments based on the main flow characteristics, such as flow speed, turbulence, thermodynamic state, and time and length scales. In this thesis, two distinct problems are investigated: supersonic jet and crossflow interactions; and liquid plug propagation and rupture in an airway. Gaseous non-reactive ethylene jet and air crossflow simulation represents essential physics for fuel injection in SCRAMJET engines. The regime is highly unsteady, involving shocks, turbulent mixing, and large-scale vortical structures. An eddy-viscosity-based multi-scale turbulence model is proposed to resolve turbulent structures consistent with grid resolution and turbulence length scales. Predictions of the time-averaged fuel concentration from the multi-scale model is improved over Reynolds-averaged Navier-Stokes models originally derived from stationary flow. The response to the multi-scale model alone is, however, limited, in cases where the vortical structures are small and scattered thus requiring prohibitively expensive grids in order to resolve the flow field accurately. Statistical information related to turbulent fluctuations is utilized to estimate an effective turbulent Schmidt number, which is shown to be highly varying in space. Accordingly, an adaptive turbulent Schmidt number approach is proposed, by allowing the resolved field to adaptively influence the value of turbulent Schmidt number in the multi-scale turbulence model. The proposed model estimates a time-averaged turbulent Schmidt number adapted to the computed flowfield, instead of the constant value common to the eddy-viscosity-based Navier-Stokes models. This approach is assessed using a grid-refinement study for the normal injection case, and tested with 30 degree injection, showing improved results over the constant turbulent Schmidt model both in mean and variance of fuel concentration predictions. For the incompressible liquid plug propagation and rupture study, numerical simulations are conducted using an Eulerian-Lagrangian approach with a continuous-interface method. A reconstruction scheme is developed to allow topological changes during plug rupture by altering the connectivity information of the interface mesh. Rupture time is shown to be delayed as the initial precursor film thickness increases. During the plug rupture process, a sudden increase of mechanical stresses on the tube wall is recorded, which can cause tissue damage.

Multi-scale and multi-physics simulations using the multi-fluid plasma model

DTIC Science & Technology

2017-04-25

small The simulation uses 512 second-order elements Bz = 1.0, Te = Ti = 0.01, ui = ue = 0 ne = ni = 1.0 + e−10(x−6) 2 Baboolal, Math . and Comp. Sim. 55...DISTRIBUTION Clearance No. 17211 23 / 31 SUMMARY The blended finite element method (BFEM) is presented DG spatial discretization with explicit Runge...Kutta (i+, n) CG spatial discretization with implicit Crank-Nicolson (e−, fileds) DG captures shocks and discontinuities CG is efficient and robust for

Space Simulation, 7th. [facilities and testing techniques

NASA Technical Reports Server (NTRS)

1973-01-01

Space simulation facilities and techniques are outlined that encompass thermal scale modeling, computerized simulations, reentry materials, spacecraft contamination, solar simulation, vacuum tests, and heat transfer studies.

A large-scale forest landscape model incorporating multi-scale processes and utilizing forest inventory data

Treesearch

Wen J. Wang; Hong S. He; Martin A. Spetich; Stephen R. Shifley; Frank R. Thompson III; David R. Larsen; Jacob S. Fraser; Jian Yang

2013-01-01

Two challenges confronting forest landscape models (FLMs) are how to simulate fine, standscale processes while making large-scale (i.e., .107 ha) simulation possible, and how to take advantage of extensive forest inventory data such as U.S. Forest Inventory and Analysis (FIA) data to initialize and constrain model parameters. We present the LANDIS PRO model that...

Novel patch modelling method for efficient simulation and prediction uncertainty analysis of multi-scale groundwater flow and transport processes

NASA Astrophysics Data System (ADS)

Sreekanth, J.; Moore, Catherine

2018-04-01

The application of global sensitivity and uncertainty analysis techniques to groundwater models of deep sedimentary basins are typically challenged by large computational burdens combined with associated numerical stability issues. The highly parameterized approaches required for exploring the predictive uncertainty associated with the heterogeneous hydraulic characteristics of multiple aquifers and aquitards in these sedimentary basins exacerbate these issues. A novel Patch Modelling Methodology is proposed for improving the computational feasibility of stochastic modelling analysis of large-scale and complex groundwater models. The method incorporates a nested groundwater modelling framework that enables efficient simulation of groundwater flow and transport across multiple spatial and temporal scales. The method also allows different processes to be simulated within different model scales. Existing nested model methodologies are extended by employing 'joining predictions' for extrapolating prediction-salient information from one model scale to the next. This establishes a feedback mechanism supporting the transfer of information from child models to parent models as well as parent models to child models in a computationally efficient manner. This feedback mechanism is simple and flexible and ensures that while the salient small scale features influencing larger scale prediction are transferred back to the larger scale, this does not require the live coupling of models. This method allows the modelling of multiple groundwater flow and transport processes using separate groundwater models that are built for the appropriate spatial and temporal scales, within a stochastic framework, while also removing the computational burden associated with live model coupling. The utility of the method is demonstrated by application to an actual large scale aquifer injection scheme in Australia.

Probabilistic Multi-Scale, Multi-Level, Multi-Disciplinary Analysis and Optimization of Engine Structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2000-01-01

Aircraft engines are assemblies of dynamically interacting components. Engine updates to keep present aircraft flying safely and engines for new aircraft are progressively required to operate in more demanding technological and environmental requirements. Designs to effectively meet those requirements are necessarily collections of multi-scale, multi-level, multi-disciplinary analysis and optimization methods and probabilistic methods are necessary to quantify respective uncertainties. These types of methods are the only ones that can formally evaluate advanced composite designs which satisfy those progressively demanding requirements while assuring minimum cost, maximum reliability and maximum durability. Recent research activities at NASA Glenn Research Center have focused on developing multi-scale, multi-level, multidisciplinary analysis and optimization methods. Multi-scale refers to formal methods which describe complex material behavior metal or composite; multi-level refers to integration of participating disciplines to describe a structural response at the scale of interest; multidisciplinary refers to open-ended for various existing and yet to be developed discipline constructs required to formally predict/describe a structural response in engine operating environments. For example, these include but are not limited to: multi-factor models for material behavior, multi-scale composite mechanics, general purpose structural analysis, progressive structural fracture for evaluating durability and integrity, noise and acoustic fatigue, emission requirements, hot fluid mechanics, heat-transfer and probabilistic simulations. Many of these, as well as others, are encompassed in an integrated computer code identified as Engine Structures Technology Benefits Estimator (EST/BEST) or Multi-faceted/Engine Structures Optimization (MP/ESTOP). The discipline modules integrated in MP/ESTOP include: engine cycle (thermodynamics), engine weights, internal fluid mechanics, cost, mission and coupled structural/thermal, various composite property simulators and probabilistic methods to evaluate uncertainty effects (scatter ranges) in all the design parameters. The objective of the proposed paper is to briefly describe a multi-faceted design analysis and optimization capability for coupled multi-discipline engine structures optimization. Results are presented for engine and aircraft type metrics to illustrate the versatility of that capability. Results are also presented for reliability, noise and fatigue to illustrate its inclusiveness. For example, replacing metal rotors with composites reduces the engine weight by 20 percent, 15 percent noise reduction, and an order of magnitude improvement in reliability. Composite designs exist to increase fatigue life by at least two orders of magnitude compared to state-of-the-art metals.

A hybrid approach to simulation of electron transfer in complex molecular systems

PubMed Central

Kubař, Tomáš; Elstner, Marcus

2013-01-01

Electron transfer (ET) reactions in biomolecular systems represent an important class of processes at the interface of physics, chemistry and biology. The theoretical description of these reactions constitutes a huge challenge because extensive systems require a quantum-mechanical treatment and a broad range of time scales are involved. Thus, only small model systems may be investigated with the modern density functional theory techniques combined with non-adiabatic dynamics algorithms. On the other hand, model calculations based on Marcus's seminal theory describe the ET involving several assumptions that may not always be met. We review a multi-scale method that combines a non-adiabatic propagation scheme and a linear scaling quantum-chemical method with a molecular mechanics force field in such a way that an unbiased description of the dynamics of excess electron is achieved and the number of degrees of freedom is reduced effectively at the same time. ET reactions taking nanoseconds in systems with hundreds of quantum atoms can be simulated, bridging the gap between non-adiabatic ab initio simulations and model approaches such as the Marcus theory. A major recent application is hole transfer in DNA, which represents an archetypal ET reaction in a polarizable medium. Ongoing work focuses on hole transfer in proteins, peptides and organic semi-conductors. PMID:23883952

Science based integrated approach to advanced nuclear fuel development - integrated multi-scale multi-physics hierarchical modeling and simulation framework Part III: cladding

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

Tome, Carlos N; Caro, J A; Lebensohn, R A

2010-01-01

Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Reactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems to develop predictive tools is critical. Not only are fabrication and performance models needed to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating themore » phase and microstructural behavior of the nuclear fuel system materials and matrices. In this paper we review the current status of the advanced modeling and simulation of nuclear reactor cladding, with emphasis on what is available and what is to be developed in each scale of the project, how we propose to pass information from one scale to the next, and what experimental information is required for benchmarking and advancing the modeling at each scale level.« less

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

NASA Astrophysics Data System (ADS)

Liu, Yushi; Poh, Hee Joo

2014-11-01

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

Multi-Scale Modeling of Microstructural Evolution in Structural Metallic Systems

NASA Astrophysics Data System (ADS)

Zhao, Lei

Metallic alloys are a widely used class of structural materials, and the mechanical properties of these alloys are strongly dependent on the microstructure. Therefore, the scientific design of metallic materials with superior mechanical properties requires the understanding of the microstructural evolution. Computational models and simulations offer a number of advantages over experimental techniques in the prediction of microstructural evolution, because they can allow studies of microstructural evolution in situ, i.e., while the material is mechanically loaded (meso-scale simulations), and bring atomic-level insights into the microstructure (atomistic simulations). In this thesis, we applied a multi-scale modeling approach to study the microstructural evolution in several metallic systems, including polycrystalline materials and metallic glasses (MGs). Specifically, for polycrystalline materials, we developed a coupled finite element model that combines phase field method and crystal plasticity theory to study the plasticity effect on grain boundary (GB) migration. Our model is not only coupled strongly (i.e., we include plastic driving force on GB migration directly) and concurrently (i.e., coupled equations are solved simultaneously), but also it qualitatively captures such phenomena as the dislocation absorption by mobile GBs. The developed model provides a tool to study the microstructural evolution in plastically deformed metals and alloys. For MGs, we used molecular dynamics (MD) simulations to investigate the nucleation kinetics in the primary crystallization in Al-Sm system. We calculated the time-temperature-transformation curves for low Sm concentrations, from which the strong suppressing effect of Sm solute on Al nucleation and its influencing mechanism are revealed. Also, through the comparative analysis of both Al attachment and Al diffusion in MGs, it has been found that the nucleation kinetics is controlled by interfacial attachment of Al, and that the attachment behavior takes place collectively and heterogeneously, similarly to Al diffusion in MGs. Finally, we applied the MD technique to study the origin of five-fold twinning nucleation during the solidification of Al base alloys. We studied several model alloys and reported the observed nucleation pathway. We found that the key factors controlling the five-fold twinning are the twin boundary energy and the formation of pentagon structures, and the twin boundary energy plays the dominant role in the five-fold twinning in the model alloys studied.

Multi-scale statistical analysis of coronal solar activity

DOE PAGES

Gamborino, Diana; del-Castillo-Negrete, Diego; Martinell, Julio J.

2016-07-08

Multi-filter images from the solar corona are used to obtain temperature maps that are analyzed using techniques based on proper orthogonal decomposition (POD) in order to extract dynamical and structural information at various scales. Exploring active regions before and after a solar flare and comparing them with quiet regions, we show that the multi-scale behavior presents distinct statistical properties for each case that can be used to characterize the level of activity in a region. Information about the nature of heat transport is also to be extracted from the analysis.

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

NASA Astrophysics Data System (ADS)

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

2017-01-01

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

Multi-scale pixel-based image fusion using multivariate empirical mode decomposition.

PubMed

Rehman, Naveed ur; Ehsan, Shoaib; Abdullah, Syed Muhammad Umer; Akhtar, Muhammad Jehanzaib; Mandic, Danilo P; McDonald-Maier, Klaus D

2015-05-08

A novel scheme to perform the fusion of multiple images using the multivariate empirical mode decomposition (MEMD) algorithm is proposed. Standard multi-scale fusion techniques make a priori assumptions regarding input data, whereas standard univariate empirical mode decomposition (EMD)-based fusion techniques suffer from inherent mode mixing and mode misalignment issues, characterized respectively by either a single intrinsic mode function (IMF) containing multiple scales or the same indexed IMFs corresponding to multiple input images carrying different frequency information. We show that MEMD overcomes these problems by being fully data adaptive and by aligning common frequency scales from multiple channels, thus enabling their comparison at a pixel level and subsequent fusion at multiple data scales. We then demonstrate the potential of the proposed scheme on a large dataset of real-world multi-exposure and multi-focus images and compare the results against those obtained from standard fusion algorithms, including the principal component analysis (PCA), discrete wavelet transform (DWT) and non-subsampled contourlet transform (NCT). A variety of image fusion quality measures are employed for the objective evaluation of the proposed method. We also report the results of a hypothesis testing approach on our large image dataset to identify statistically-significant performance differences.

Multi-Scale Pixel-Based Image Fusion Using Multivariate Empirical Mode Decomposition

PubMed Central

Rehman, Naveed ur; Ehsan, Shoaib; Abdullah, Syed Muhammad Umer; Akhtar, Muhammad Jehanzaib; Mandic, Danilo P.; McDonald-Maier, Klaus D.

2015-01-01

A novel scheme to perform the fusion of multiple images using the multivariate empirical mode decomposition (MEMD) algorithm is proposed. Standard multi-scale fusion techniques make a priori assumptions regarding input data, whereas standard univariate empirical mode decomposition (EMD)-based fusion techniques suffer from inherent mode mixing and mode misalignment issues, characterized respectively by either a single intrinsic mode function (IMF) containing multiple scales or the same indexed IMFs corresponding to multiple input images carrying different frequency information. We show that MEMD overcomes these problems by being fully data adaptive and by aligning common frequency scales from multiple channels, thus enabling their comparison at a pixel level and subsequent fusion at multiple data scales. We then demonstrate the potential of the proposed scheme on a large dataset of real-world multi-exposure and multi-focus images and compare the results against those obtained from standard fusion algorithms, including the principal component analysis (PCA), discrete wavelet transform (DWT) and non-subsampled contourlet transform (NCT). A variety of image fusion quality measures are employed for the objective evaluation of the proposed method. We also report the results of a hypothesis testing approach on our large image dataset to identify statistically-significant performance differences. PMID:26007714

A dynamic multi-scale Markov model based methodology for remaining life prediction

NASA Astrophysics Data System (ADS)

Yan, Jihong; Guo, Chaozhong; Wang, Xing

2011-05-01

The ability to accurately predict the remaining life of partially degraded components is crucial in prognostics. In this paper, a performance degradation index is designed using multi-feature fusion techniques to represent deterioration severities of facilities. Based on this indicator, an improved Markov model is proposed for remaining life prediction. Fuzzy C-Means (FCM) algorithm is employed to perform state division for Markov model in order to avoid the uncertainty of state division caused by the hard division approach. Considering the influence of both historical and real time data, a dynamic prediction method is introduced into Markov model by a weighted coefficient. Multi-scale theory is employed to solve the state division problem of multi-sample prediction. Consequently, a dynamic multi-scale Markov model is constructed. An experiment is designed based on a Bently-RK4 rotor testbed to validate the dynamic multi-scale Markov model, experimental results illustrate the effectiveness of the methodology.

ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS

PubMed Central

Cao, Youfang; Terebus, Anna; Liang, Jie

2016-01-01

The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multi-scale nature of many networks where reaction rates have large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the Accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multi-finite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes, and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be pre-computed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multi-scale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks. PMID:27761104

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Blade Displacement Measurements of the Full-Scale UH-60A Airloads Rotor

NASA Technical Reports Server (NTRS)

Barrows, Danny A.; Burner, Alpheus W.; Abrego, Anita I.; Olson, Lawrence E.

2011-01-01

Blade displacement measurements were acquired during a wind tunnel test of the full-scale UH-60A Airloads rotor. The test was conducted in the 40- by 80-Foot Wind Tunnel of the National Full-Scale Aerodynamics Complex at NASA Ames Research Center. Multi-camera photogrammetry was used to measure the blade displacements of the four-bladed rotor. These measurements encompass a range of test conditions that include advance ratios from 0.15 to unique slowed-rotor simulations as high as 1.0, thrust coefficient to rotor solidity ratios from 0.01 to 0.13, and rotor shaft angles from -10.0 to 8.0 degrees. The objective of these measurements is to provide a benchmark blade displacement database to be utilized in the development and validation of rotorcraft computational tools. The methodology, system development, measurement techniques, and preliminary sample blade displacement measurements are presented.

Multi-Resolution Unstructured Grid-Generation for Geophysical Applications on the Sphere

NASA Technical Reports Server (NTRS)

Engwirda, Darren

2015-01-01

An algorithm for the generation of non-uniform unstructured grids on ellipsoidal geometries is described. This technique is designed to generate high quality triangular and polygonal meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric and ocean simulation, and numerical weather predication. Using a recently developed Frontal-Delaunay-refinement technique, a method for the construction of high-quality unstructured ellipsoidal Delaunay triangulations is introduced. A dual polygonal grid, derived from the associated Voronoi diagram, is also optionally generated as a by-product. Compared to existing techniques, it is shown that the Frontal-Delaunay approach typically produces grids with near-optimal element quality and smooth grading characteristics, while imposing relatively low computational expense. Initial results are presented for a selection of uniform and non-uniform ellipsoidal grids appropriate for large-scale geophysical applications. The use of user-defined mesh-sizing functions to generate smoothly graded, non-uniform grids is discussed.

Multi-scale heterogeneity of the 2011 Great Tohoku-oki Earthquake from dynamic simulations

NASA Astrophysics Data System (ADS)

Aochi, H.; Ide, S.

2011-12-01

In order to explain the scaling issues of earthquakes of different sizes, multi-scale heterogeneity conception is necessary to characterize earthquake faulting property (Ide and Aochi, JGR, 2005; Aochi and Ide, JGR, 2009).The 2011 Great Tohoku-oki earthquake (M9) is characterized by a slow initial phase of about M7, a M8 class deep rupture, and a M9 main rupture with quite large slip near the trench (e.g. Ide et al., Science, 2011) as well as the presence of foreshocks. We dynamically model these features based on the multi-scale conception. We suppose a significantly large fracture energy (corresponding to slip-weakening distance of 3.2 m) in most of the fault dimension to represent the M9 rupture. However we give local heterogeneity with relatively small circular patches of smaller fracture energy, by assuming the linear scaling relation between the radius and fracture energy. The calculation is carried out using 3D Boundary Integral Equation Method. We first begin only with the mainshock (Aochi and Ide, EPS, 2011), but later we find it important to take into account of a series of foreshocks since the 9th March (M7.4). The smaller patches including the foreshock area are necessary to launch the M9 rupture area of large fracture energy. We then simulate the ground motion in low frequencies using Finite Difference Method. Qualitatively, the observed tendency is consistent with our simulations, in the meaning of the transition from the central part to the southern part in low frequencies (10 - 20 sec). At higher frequencies (1-10 sec), further small asperities are inferred in the observed signals, and this feature matches well with our multi-scale conception.

Multidisciplinary tailoring of hot composite structures

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Chamis, Christos C.

1993-01-01

A computational simulation procedure is described for multidisciplinary analysis and tailoring of layered multi-material hot composite engine structural components subjected to simultaneous multiple discipline-specific thermal, structural, vibration, and acoustic loads. The effect of aggressive environments is also simulated. The simulation is based on a three-dimensional finite element analysis technique in conjunction with structural mechanics codes, thermal/acoustic analysis methods, and tailoring procedures. The integrated multidisciplinary simulation procedure is general-purpose including the coupled effects of nonlinearities in structure geometry, material, loading, and environmental complexities. The composite material behavior is assessed at all composite scales, i.e., laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization hygro-thermo-mechanical model. Sample tailoring cases exhibiting nonlinear material/loading/environmental behavior of aircraft engine fan blades, are presented. The various multidisciplinary loads lead to different tailored designs, even those competing with each other, as in the case of minimum material cost versus minimum structure weight and in the case of minimum vibration frequency versus minimum acoustic noise.

Based on a multi-agent system for multi-scale simulation and application of household's LUCC: a case study for Mengcha village, Mizhi county, Shaanxi province.

PubMed

Chen, Hai; Liang, Xiaoying; Li, Rui

2013-01-01

Multi-Agent Systems (MAS) offer a conceptual approach to include multi-actor decision making into models of land use change. Through the simulation based on the MAS, this paper tries to show the application of MAS in the micro scale LUCC, and reveal the transformation mechanism of difference scale. This paper starts with a description of the context of MAS research. Then, it adopts the Nested Spatial Choice (NSC) method to construct the multi-scale LUCC decision-making model. And a case study for Mengcha village, Mizhi County, Shaanxi Province is reported. Finally, the potentials and drawbacks of the following approach is discussed and concluded. From our design and implementation of the MAS in multi-scale model, a number of observations and conclusions can be drawn on the implementation and future research directions. (1) The use of the LUCC decision-making and multi-scale transformation framework provides, according to us, a more realistic modeling of multi-scale decision making process. (2) By using continuous function, rather than discrete function, to construct the decision-making of the households is more realistic to reflect the effect. (3) In this paper, attempts have been made to give a quantitative analysis to research the household interaction. And it provides the premise and foundation for researching the communication and learning among the households. (4) The scale transformation architecture constructed in this paper helps to accumulate theory and experience for the interaction research between the micro land use decision-making and the macro land use landscape pattern. Our future research work will focus on: (1) how to rational use risk aversion principle, and put the rule on rotation between household parcels into model. (2) Exploring the methods aiming at researching the household decision-making over a long period, it allows us to find the bridge between the long-term LUCC data and the short-term household decision-making. (3) Researching the quantitative method and model, especially the scenario analysis model which may reflect the interaction among different household types.

Final Technical Report: Mathematical Foundations for Uncertainty Quantification in Materials Design

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

Plechac, Petr; Vlachos, Dionisios G.

We developed path-wise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of non-equilibrium extended molecular systems. The combination of these novel methodologies provided the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale stochastic models such as (bio)chemical reaction networks, with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, hybrid micro-macro systems,more » etc. A particular computational challenge arises in simulations of multi-scale reaction networks and molecular systems. Mathematical techniques were applied to in silico prediction of novel materials with emphasis on the effect of microstructure on model uncertainty quantification (UQ). We outline acceleration methods to make calculations of real chemistry feasible followed by two complementary tasks on structure optimization and microstructure-induced UQ.« less

Multiscale modeling and simulation of brain blood flow

NASA Astrophysics Data System (ADS)

Perdikaris, Paris; Grinberg, Leopold; Karniadakis, George Em

2016-02-01

The aim of this work is to present an overview of recent advances in multi-scale modeling of brain blood flow. In particular, we present some approaches that enable the in silico study of multi-scale and multi-physics phenomena in the cerebral vasculature. We discuss the formulation of continuum and atomistic modeling approaches, present a consistent framework for their concurrent coupling, and list some of the challenges that one needs to overcome in achieving a seamless and scalable integration of heterogeneous numerical solvers. The effectiveness of the proposed framework is demonstrated in a realistic case involving modeling the thrombus formation process taking place on the wall of a patient-specific cerebral aneurysm. This highlights the ability of multi-scale algorithms to resolve important biophysical processes that span several spatial and temporal scales, potentially yielding new insight into the key aspects of brain blood flow in health and disease. Finally, we discuss open questions in multi-scale modeling and emerging topics of future research.

Experience in using a numerical scheme with artificial viscosity at solving the Riemann problem for a multi-fluid model of multiphase flow

NASA Astrophysics Data System (ADS)

Bulovich, S. V.; Smirnov, E. M.

2018-05-01

The paper covers application of the artificial viscosity technique to numerical simulation of unsteady one-dimensional multiphase compressible flows on the base of the multi-fluid approach. The system of the governing equations is written under assumption of the pressure equilibrium between the "fluids" (phases). No interfacial exchange is taken into account. A model for evaluation of the artificial viscosity coefficient that (i) assumes identity of this coefficient for all interpenetrating phases and (ii) uses the multiphase-mixture Wood equation for evaluation of a scale speed of sound has been suggested. Performance of the artificial viscosity technique has been evaluated via numerical solution of a model problem of pressure discontinuity breakdown in a three-fluid medium. It has been shown that a relatively simple numerical scheme, explicit and first-order, combined with the suggested artificial viscosity model, predicts a physically correct behavior of the moving shock and expansion waves, and a subsequent refinement of the computational grid results in a monotonic approaching to an asymptotic time-dependent solution, without non-physical oscillations.

A coupling method for a cardiovascular simulation model which includes the Kalman filter.

PubMed

Hasegawa, Yuki; Shimayoshi, Takao; Amano, Akira; Matsuda, Tetsuya

2012-01-01

Multi-scale models of the cardiovascular system provide new insight that was unavailable with in vivo and in vitro experiments. For the cardiovascular system, multi-scale simulations provide a valuable perspective in analyzing the interaction of three phenomenons occurring at different spatial scales: circulatory hemodynamics, ventricular structural dynamics, and myocardial excitation-contraction. In order to simulate these interactions, multiscale cardiovascular simulation systems couple models that simulate different phenomena. However, coupling methods require a significant amount of calculation, since a system of non-linear equations must be solved for each timestep. Therefore, we proposed a coupling method which decreases the amount of calculation by using the Kalman filter. In our method, the Kalman filter calculates approximations for the solution to the system of non-linear equations at each timestep. The approximations are then used as initial values for solving the system of non-linear equations. The proposed method decreases the number of iterations required by 94.0% compared to the conventional strong coupling method. When compared with a smoothing spline predictor, the proposed method required 49.4% fewer iterations.

Multifractal characterisation of a simulated surface flow: A case study with Multi-Hydro in Jouy-en-Josas, France

NASA Astrophysics Data System (ADS)

Gires, Auguste; Abbes, Jean-Baptiste; da Silva Rocha Paz, Igor; Tchiguirinskaia, Ioulia; Schertzer, Daniel

2018-03-01

In this paper we suggest to innovatively use scaling laws and more specifically Universal Multifractals (UM) to analyse simulated surface runoff and compare the retrieved scaling features with the rainfall ones. The methodology is tested on a 3 km2 semi-urbanised with a steep slope study area located in the Paris area along the Bièvre River. First Multi-Hydro, a fully distributed model is validated on this catchment for four rainfall events measured with the help of a C-band radar. The uncertainty associated with small scale unmeasured rainfall, i.e. occurring below the 1 km × 1 km × 5 min observation scale, is quantified with the help of stochastic downscaled rainfall fields. It is rather significant for simulated flow and more limited on overland water depth for these rainfall events. Overland depth is found to exhibit a scaling behaviour over small scales (10 m-80 m) which can be related to fractal features of the sewer network. No direct and obvious dependency between the overland depth multifractal features (quality of the scaling and UM parameters) and the rainfall ones was found.

Mesoscale Effective Property Simulations Incorporating Conductive Binder

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

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Mesoscale Effective Property Simulations Incorporating Conductive Binder

DOE PAGES

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.; ...

2017-07-26

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Using Multi-Spacecraft Technique to Identify the Structure of Magnetic Field in CMEs

NASA Astrophysics Data System (ADS)

Al-haddad, N. A.; Jacobs, C.; Poedts, S.; Moestl, C.; Farrugia, C. J.; Lugaz, N.

2013-12-01

In order to understand the magnetic field structure of coronal mass ejections (CMEs), it is often required to investigate its local configuration at different positions of the CME. While this could be very challenging to implement observationally; it is rather applicable when using numerical simulations. In this work, we study the properties of a simulated CME using multi-spacecraft technique. We have shown previously how the reconstruction of magnetic fields from a single spacecraft, may yield misleading results. Here, we look into the reconstruction of the magnetic field using sets of two, and three spacecrafts at different longitudes, and discuss the effectiveness of this technique. This type of work can pave the way for future out-of-the-ecliptic missions such as Solar Probe or Solar Orbiter. Grad-Shafranov reconstruction of simulated satellite measurements of a CME containing writhed field lines.

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

Kant, Deepender, E-mail: dkc@ceeri.ernet.in; Joshi, L. M.; Janyani, Vijay

The klystron is a well-known microwave amplifier which uses kinetic energy of an electron beam for amplification of the RF signal. There are some limitations of conventional single beam klystron such as high operating voltage, low efficiency and bulky size at higher power levels, which are very effectively handled in Multi Beam Klystron (MBK) that uses multiple low purveyance electron beams for RF interaction. Each beam propagates along its individual transit path through a resonant cavity structure. Multi-Beam klystron cavity design is a critical task due to asymmetric cavity structure and can be simulated by 3D code only. The presentmore » paper shall discuss the design of multi beam RF cavities for klystrons operating at 2856 MHz (S-band) and 5 GHz (C-band) respectively. The design approach uses some scaling laws for finding the electron beam parameters of the multi beam device from their single beam counter parts. The scaled beam parameters are then used for finding the design parameters of the multi beam cavities. Design of the desired multi beam cavity can be optimized through iterative simulations in CST Microwave Studio.« less

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

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

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

DOE PAGES

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...

2016-04-25

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Climate variability in China during the last millennium based on reconstructions and simulations

NASA Astrophysics Data System (ADS)

García-Bustamante, E.; Luterbacher, J.; Xoplaki, E.; Werner, J. P.; Jungclaus, J.; Zorita, E.; González-Rouco, J. F.; Fernández-Donado, L.; Hegerl, G.; Ge, Q.; Hao, Z.; Wagner, S.

2012-04-01

Multi-decadal to centennial climate variability in China during the last millennium is analysed. We compare the low frequency temperature and precipitation variations from proxy-based reconstructions and palaeo-simulations from climate models. Focusing on the regional responses to the global climate evolution is of high relevance due to the complexity of the interactions between physical mechanisms at different spatio-temporal scales and the potential severity of the derived multiple socio-economic impacts. China stands out as a particularly interesting region, not only due to its complex climatic features, ranging from the semiarid northwestern Tibetan Plateau to the tropical monsoon southeastern climates, but also because of its wealth of proxy data. However, comprehensive assessments of proxy- and model-based information about palaeo-climatic variations in China are, to our knowledge, still lacking. In addition, existing studies depict a general lack of agreement between reconstructions and model simulations with respect to the amplitude and/or occurrence of warmer/colder and wetter/drier periods during the last millennium and the magnitude of the 20th century warming trend. Furthermore, these works are mainly focused on eastern China regions that show a denser proxy data coverage. We investigate how last millennium palaeo-runs compare to independent evidences from an unusual large number of proxy reconstructions over the study area by employing state-of-the-art palaeo-simulations with multi-member ensembles from the CMIP5/PMIP3 project. This shapes an ideal frame for the evaluation of the uncertainties associated to internal and intermodel model variability. Preliminary results indicate that despite the strong regional and seasonal dependencies, temperature reconstructions in China evidence coherent variations among all regions at centennial scale, especially during the last 500 years. The spatial consistency of low frequency temperature changes is an interesting aspect and of relevance for the assessment of forced climatic responses in China. The comparison between reconstructions and simulations from climate models show that, apart from the 20th century warming trend, the variance of the reconstructed mean China temperature lies in the envelope (uncertainty range) spanned by the temperature simulations. The uncertainty arises from the internal (multi-member ensembles) and the inter-model variability. Centennial variations tend to be broadly synchronous in the reconstructions and the simulations. However, the simulations show a delay of the warm period 1000-1300 AD. This warm medieval period both in the simulations and the reconstructions is followed by cooling till 1800 AD. Based on the simulations, the recent warming is not unprecedented and is comparable to the medieval warming. Further steps of this study will address the individual contribution of anthropogenic and natural forcings on climate variability and change during the last millennium in China. We will make use of of models that provide runs including single forcings (fingerprints) for the attribution of climate variations from decadal to multi-centennial time scales. With this aim, we will implement statistical techniques for the detection of optimal signal-to-noise-ratio between external forcings and internal variability of reconstructed temperatures and precipitation. To apply these approaches the uncertainties associated with both reconstructions and simulations will be estimated. The latter will shed some light into the mechanisms behind current climate evolution and will help to constrain uncertainties in the sensitivity of model simulations to increasing CO2 scenarios of future climate change. This work will also contribute to the overall aims of the PAGES 2k initiative in Asia (http://www.pages.unibe.ch/workinggroups/2k-network)

Evaluating the accuracy of climate change pattern emulation for low warming targets

NASA Astrophysics Data System (ADS)

Tebaldi, Claudia; Knutti, Reto

2018-05-01

Global climate policy is increasingly debating the value of very low warming targets, yet not many experiments conducted with global climate models in their fully coupled versions are currently available to help inform studies of the corresponding impacts. This raises the question whether a map of warming or precipitation change in a world 1.5 °C warmer than preindustrial can be emulated from existing simulations that reach higher warming targets, or whether entirely new simulations are required. Here we show that also for this type of low warming in strong mitigation scenarios, climate change signals are quite linear as a function of global temperature. Therefore, emulation techniques amounting to linear rescaling on the basis of global temperature change ratios (like simple pattern scaling) provide a viable way forward. The errors introduced are small relative to the spread in the forced response to a given scenario that we can assess from a multi-model ensemble. They are also small relative to the noise introduced into the estimates of the forced response by internal variability within a single model, which we can assess from either control simulations or initial condition ensembles. Challenges arise when scaling inadvertently reduces the inter-model spread or suppresses the internal variability, both important sources of uncertainty for impact assessment, or when the scenarios have very different characteristics in the composition of the forcings. Taking advantage of an available suite of coupled model simulations under low-warming and intermediate scenarios, we evaluate the accuracy of these emulation techniques and show that they are unlikely to represent a substantial contribution to the total uncertainty.

The scale invariant generator technique for quantifying anisotropic scale invariance

NASA Astrophysics Data System (ADS)

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

1999-11-01

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

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

Pau, G. S. H.; Bisht, G.; Riley, W. J.

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: A multi-scale simulation analysis

USGS Publications Warehouse

Knightes, Christopher D.; Golden, Heather E.; Journey, Celeste A.; Davis, Gary M.; Conrads, Paul; Marvin-DiPasquale, Mark; Brigham, Mark E.; Bradley, Paul M.

2014-01-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km2) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km2 and 25 km2) and the encompassing watershed (79 km2). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, David; Agarwal, Deborah A.; Sun, Xin

2011-09-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, D.; Agarwal, D.; Sun, X.

2011-01-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

Enhancement of low visibility aerial images using histogram truncation and an explicit Retinex representation for balancing contrast and color consistency

NASA Astrophysics Data System (ADS)

Liu, Changjiang; Cheng, Irene; Zhang, Yi; Basu, Anup

2017-06-01

This paper presents an improved multi-scale Retinex (MSR) based enhancement for ariel images under low visibility. For traditional multi-scale Retinex, three scales are commonly employed, which limits its application scenarios. We extend our research to a general purpose enhanced method, and design an MSR with more than three scales. Based on the mathematical analysis and deductions, an explicit multi-scale representation is proposed that balances image contrast and color consistency. In addition, a histogram truncation technique is introduced as a post-processing strategy to remap the multi-scale Retinex output to the dynamic range of the display. Analysis of experimental results and comparisons with existing algorithms demonstrate the effectiveness and generality of the proposed method. Results on image quality assessment proves the accuracy of the proposed method with respect to both objective and subjective criteria.

Probabilistic Simulation of Multi-Scale Composite Behavior

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2012-01-01

A methodology is developed to computationally assess the non-deterministic composite response at all composite scales (from micro to structural) due to the uncertainties in the constituent (fiber and matrix) properties, in the fabrication process and in structural variables (primitive variables). The methodology is computationally efficient for simulating the probability distributions of composite behavior, such as material properties, laminate and structural responses. Bi-products of the methodology are probabilistic sensitivities of the composite primitive variables. The methodology has been implemented into the computer codes PICAN (Probabilistic Integrated Composite ANalyzer) and IPACS (Integrated Probabilistic Assessment of Composite Structures). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in composite typical laminates and comparing the results with the Monte Carlo simulation method. Available experimental data of composite laminate behavior at all scales fall within the scatters predicted by PICAN. Multi-scaling is extended to simulate probabilistic thermo-mechanical fatigue and to simulate the probabilistic design of a composite redome in order to illustrate its versatility. Results show that probabilistic fatigue can be simulated for different temperature amplitudes and for different cyclic stress magnitudes. Results also show that laminate configurations can be selected to increase the redome reliability by several orders of magnitude without increasing the laminate thickness--a unique feature of structural composites. The old reference denotes that nothing fundamental has been done since that time.

On the formalization of multi-scale and multi-science processes for integrative biology

PubMed Central

Díaz-Zuccarini, Vanessa; Pichardo-Almarza, César

2011-01-01

The aim of this work is to introduce the general concept of ‘Bond Graph’ (BG) techniques applied in the context of multi-physics and multi-scale processes. BG modelling has a natural place in these developments. BGs are inherently coherent as the relationships defined between the ‘elements’ of the graph are strictly defined by causality rules and power (energy) conservation. BGs clearly show how power flows between components of the systems they represent. The ‘effort’ and ‘flow’ variables enable bidirectional information flow in the BG model. When the power level of a system is low, BGs degenerate into signal flow graphs in which information is mainly one-dimensional and power is minimal, i.e. they find a natural limitation when dealing with populations of individuals or purely kinetic models, as the concept of energy conservation in these systems is no longer relevant. The aim of this work is twofold: on the one hand, we will introduce the general concept of BG techniques applied in the context of multi-science and multi-scale models and, on the other hand, we will highlight some of the most promising features in the BG methodology by comparing with examples developed using well-established modelling techniques/software that could suggest developments or refinements to the current state-of-the-art tools, by providing a consistent framework from a structural and energetic point of view. PMID:22670211

A point-by-point multi-scale surface temperature reconstruction method and tests by pseudo proxy experiments

NASA Astrophysics Data System (ADS)

Chen, X.

2016-12-01

This study present a multi-scale approach combining Mode Decomposition and Variance Matching (MDVM) method and basic process of Point-by-Point Regression (PPR) method. Different from the widely applied PPR method, the scanning radius for each grid box, were re-calculated considering the impact from topography (i.e. mean altitudes and fluctuations). Thus, appropriate proxy records were selected to be candidates for reconstruction. The results of this multi-scale methodology could not only provide the reconstructed gridded temperature, but also the corresponding uncertainties of the four typical timescales. In addition, this method can bring in another advantage that spatial distribution of the uncertainty for different scales could be quantified. To interpreting the necessity of scale separation in calibration, with proxy records location over Eastern Asia, we perform two sets of pseudo proxy experiments (PPEs) based on different ensembles of climate model simulation. One consist of 7 simulated results by 5 models (BCC-CSM1-1, CSIRO-MK3L-1-2, HadCM3, MPI-ESM-P, and Giss-E2-R) of the "past1000" simulation from Coupled Model Intercomparison Project Phase 5. The other is based on the simulations of Community Earth System Model Last Millennium Ensemble (CESM-LME). The pseudo-records network were obtained by adding the white noise with signal-to-noise ratio (SNR) increasing from 0.1 to 1.0 to the simulated true state and the locations mainly followed the PAGES-2k network in Asia. Totally, 400 years (1601-2000) simulation was used for calibration and 600 years (1001-1600) for verification. The reconstructed results were evaluated by three metrics 1) root mean squared error (RMSE), 2) correlation and 3) reduction of error (RE) score. The PPE verification results have shown that, in comparison with ordinary linear calibration method (variance matching), the RMSE and RE score of PPR-MDVM are improved, especially for the area with sparse proxy records. To be noted, in some periods with large volcanic activities, the RMSE of MDVM get larger than VM for higher SNR cases. It should be inferred that the volcanic eruptions might blur the intrinsic characteristics of multi-scales variabilities of the climate system and the MDVM method would show less advantage in that case.

Moose: An Open-Source Framework to Enable Rapid Development of Collaborative, Multi-Scale, Multi-Physics Simulation Tools

NASA Astrophysics Data System (ADS)

Slaughter, A. E.; Permann, C.; Peterson, J. W.; Gaston, D.; Andrs, D.; Miller, J.

2014-12-01

The Idaho National Laboratory (INL)-developed Multiphysics Object Oriented Simulation Environment (MOOSE; www.mooseframework.org), is an open-source, parallel computational framework for enabling the solution of complex, fully implicit multiphysics systems. MOOSE provides a set of computational tools that scientists and engineers can use to create sophisticated multiphysics simulations. Applications built using MOOSE have computed solutions for chemical reaction and transport equations, computational fluid dynamics, solid mechanics, heat conduction, mesoscale materials modeling, geomechanics, and others. To facilitate the coupling of diverse and highly-coupled physical systems, MOOSE employs the Jacobian-free Newton-Krylov (JFNK) method when solving the coupled nonlinear systems of equations arising in multiphysics applications. The MOOSE framework is written in C++, and leverages other high-quality, open-source scientific software packages such as LibMesh, Hypre, and PETSc. MOOSE uses a "hybrid parallel" model which combines both shared memory (thread-based) and distributed memory (MPI-based) parallelism to ensure efficient resource utilization on a wide range of computational hardware. MOOSE-based applications are inherently modular, which allows for simulation expansion (via coupling of additional physics modules) and the creation of multi-scale simulations. Any application developed with MOOSE supports running (in parallel) any other MOOSE-based application. Each application can be developed independently, yet easily communicate with other applications (e.g., conductivity in a slope-scale model could be a constant input, or a complete phase-field micro-structure simulation) without additional code being written. This method of development has proven effective at INL and expedites the development of sophisticated, sustainable, and collaborative simulation tools.

Tailoring non-equilibrium atmospheric pressure plasmas for healthcare technologies

NASA Astrophysics Data System (ADS)

Gans, Timo

2012-10-01

Non-equilibrium plasmas operated at ambient atmospheric pressure are very efficient sources for energy transport through reactive neutral particles (radicals and metastables), charged particles (ions and electrons), UV radiation, and electro-magnetic fields. This includes the unique opportunity to deliver short-lived highly reactive species such as atomic oxygen and atomic nitrogen. Reactive oxygen and nitrogen species can initiate a wide range of reactions in biochemical systems, both therapeutic and toxic. The toxicological implications are not clear, e.g. potential risks through DNA damage. It is anticipated that interactions with biological systems will be governed through synergies between two or more species. Suitable optimized plasma sources are improbable through empirical investigations. Quantifying the power dissipation and energy transport mechanisms through the different interfaces from the plasma regime to ambient air, towards the liquid interface and associated impact on the biological system through a new regime of liquid chemistry initiated by the synergy of delivering multiple energy carrying species, is crucial. The major challenge to overcome the obstacles of quantifying energy transport and controlling power dissipation has been the severe lack of suitable plasma sources and diagnostic techniques. Diagnostics and simulations of this plasma regime are very challenging; the highly pronounced collision dominated plasma dynamics at very small dimensions requires extraordinary high resolution - simultaneously in space (microns) and time (picoseconds). Numerical simulations are equally challenging due to the inherent multi-scale character with very rapid electron collisions on the one extreme and the transport of chemically stable species characterizing completely different domains. This presentation will discuss our recent progress actively combining both advance optical diagnostics and multi-scale computer simulations.

Modeling Impact-induced Failure of Polysilicon MEMS: A Multi-scale Approach.

PubMed

Mariani, Stefano; Ghisi, Aldo; Corigliano, Alberto; Zerbini, Sarah

2009-01-01

Failure of packaged polysilicon micro-electro-mechanical systems (MEMS) subjected to impacts involves phenomena occurring at several length-scales. In this paper we present a multi-scale finite element approach to properly allow for: (i) the propagation of stress waves inside the package; (ii) the dynamics of the whole MEMS; (iii) the spreading of micro-cracking in the failing part(s) of the sensor. Through Monte Carlo simulations, some effects of polysilicon micro-structure on the failure mode are elucidated.

Imaging complex nutrient dynamics in mycelial networks.

PubMed

Fricker, M D; Lee, J A; Bebber, D P; Tlalka, M; Hynes, J; Darrah, P R; Watkinson, S C; Boddy, L

2008-08-01

Transport networks are vital components of multi-cellular organisms, distributing nutrients and removing waste products. Animal cardiovascular and respiratory systems, and plant vasculature, are branching trees whose architecture is thought to determine universal scaling laws in these organisms. In contrast, the transport systems of many multi-cellular fungi do not fit into this conceptual framework, as they have evolved to explore a patchy environment in search of new resources, rather than ramify through a three-dimensional organism. These fungi grow as a foraging mycelium, formed by the branching and fusion of threadlike hyphae, that gives rise to a complex network. To function efficiently, the mycelial network must both transport nutrients between spatially separated source and sink regions and also maintain its integrity in the face of continuous attack by mycophagous insects or random damage. Here we review the development of novel imaging approaches and software tools that we have used to characterise nutrient transport and network formation in foraging mycelia over a range of spatial scales. On a millimetre scale, we have used a combination of time-lapse confocal imaging and fluorescence recovery after photobleaching to quantify the rate of diffusive transport through the unique vacuole system in individual hyphae. These data then form the basis of a simulation model to predict the impact of such diffusion-based movement on a scale of several millimetres. On a centimetre scale, we have used novel photon-counting scintillation imaging techniques to visualize radiolabel movement in small microcosms. This approach has revealed novel N-transport phenomena, including rapid, preferential N-resource allocation to C-rich sinks, induction of simultaneous bi-directional transport, abrupt switching between different pre-existing transport routes, and a strong pulsatile component to transport in some species. Analysis of the pulsatile transport component using Fourier techniques shows that as the colony forms, it self-organizes into well demarcated domains that are identifiable by differences in the phase relationship of the pulses. On the centimetre to metre scale, we have begun to use techniques borrowed from graph theory to characterize the development and dynamics of the network, and used these abstracted network models to predict the transport characteristics, resilience, and cost of the network.

DEVELOPMENT AND ANALYSIS OF AIR QUALITY MODELING SIMULATIONS FOR HAZARDOUS AIR POLLUTANTS

EPA Science Inventory

The concentrations of five hazardous air pollutants were simulated using the Community Multi Scale Air Quality (CMAQ) modeling system. Annual simulations were performed over the continental United States for the entire year of 2001 to support human exposure estimates. Results a...

Multi-scale gyrokinetic simulations: Comparison with experiment and implications for predicting turbulence and transport

NASA Astrophysics Data System (ADS)

Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Candy, J.; Creely, A. J.

2016-05-01

To better understand the role of cross-scale coupling in experimental conditions, a series of multi-scale gyrokinetic simulations were performed on Alcator C-Mod, L-mode plasmas. These simulations, performed using all experimental inputs and realistic ion to electron mass ratio ((mi/me)1/2 = 60.0), simultaneously capture turbulence at the ion ( kθρs˜O (1.0 ) ) and electron-scales ( kθρe˜O (1.0 ) ). Direct comparison with experimental heat fluxes and electron profile stiffness indicates that Electron Temperature Gradient (ETG) streamers and strong cross-scale turbulence coupling likely exist in both of the experimental conditions studied. The coupling between ion and electron-scales exists in the form of energy cascades, modification of zonal flow dynamics, and the effective shearing of ETG turbulence by long wavelength, Ion Temperature Gradient (ITG) turbulence. The tightly coupled nature of ITG and ETG turbulence in these realistic plasma conditions is shown to have significant implications for the interpretation of experimental transport and fluctuations. Initial attempts are made to develop a "rule of thumb" based on linear physics, to help predict when cross-scale coupling plays an important role and to inform future modeling of experimental discharges. The details of the simulations, comparisons with experimental measurements, and implications for both modeling and experimental interpretation are discussed.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis

PubMed Central

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-01-01

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods. PMID:29690526

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis.

PubMed

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-04-21

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods.

Asynchronous adaptive time step in quantitative cellular automata modeling

PubMed Central

Zhu, Hao; Pang, Peter YH; Sun, Yan; Dhar, Pawan

2004-01-01

Background The behaviors of cells in metazoans are context dependent, thus large-scale multi-cellular modeling is often necessary, for which cellular automata are natural candidates. Two related issues are involved in cellular automata based multi-cellular modeling: how to introduce differential equation based quantitative computing to precisely describe cellular activity, and upon it, how to solve the heavy time consumption issue in simulation. Results Based on a modified, language based cellular automata system we extended that allows ordinary differential equations in models, we introduce a method implementing asynchronous adaptive time step in simulation that can considerably improve efficiency yet without a significant sacrifice of accuracy. An average speedup rate of 4–5 is achieved in the given example. Conclusions Strategies for reducing time consumption in simulation are indispensable for large-scale, quantitative multi-cellular models, because even a small 100 × 100 × 100 tissue slab contains one million cells. Distributed and adaptive time step is a practical solution in cellular automata environment. PMID:15222901

Effect of accelerated crucible rotation on the segregation of impurities in vertical Bridgman growth of multi-crystalline silicon

NASA Astrophysics Data System (ADS)

Bellmann, M. P.; Meese, E. A.; Arnberg, L.

2011-03-01

We have performed axisymmetric, transient simulations of the vertical Bridgman growth of mc-silicon to study the effect of the accelerated crucible rotation technique (ACRT) on the melt flow and impurity segregation. A solute transport model has been applied to predict the final segregation pattern of impurities in a circular ingot. The sinusoidal ACRT rotation cycle considered here suppresses mixing in the melt near the center, resulting in diffusion-limited mass transport. Therefore the radial impurity segregation is increased towards the center. The effect of increased radial segregation is intensified for low values of the Ekman time scale.

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

NASA Astrophysics Data System (ADS)

Linkmann, Moritz; Buzzicotti, Michele; Biferale, Luca

2018-06-01

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

Multi-Scale Impact and Compression-After-Impact Modeling of Reinforced Benzoxazine/Epoxy Composites using Micromechanics Approach

NASA Astrophysics Data System (ADS)

Montero, Marc Villa; Barjasteh, Ehsan; Baid, Harsh K.; Godines, Cody; Abdi, Frank; Nikbin, Kamran

A multi-scale micromechanics approach along with finite element (FE) model predictive tool is developed to analyze low-energy-impact damage footprint and compression-after-impact (CAI) of composite laminates which is also tested and verified with experimental data. Effective fiber and matrix properties were reverse-engineered from lamina properties using an optimization algorithm and used to assess damage at the micro-level during impact and post-impact FE simulations. Progressive failure dynamic analysis (PFDA) was performed for a two step-process simulation. Damage mechanisms at the micro-level were continuously evaluated during the analyses. Contribution of each failure mode was tracked during the simulations and damage and delamination footprint size and shape were predicted to understand when, where and why failure occurred during both impact and CAI events. The composite laminate was manufactured by the vacuum infusion of the aero-grade toughened Benzoxazine system into the fabric preform. Delamination footprint was measured using C-scan data from the impacted panels and compared with the predicated values obtained from proposed multi-scale micromechanics coupled with FE analysis. Furthermore, the residual strength was predicted from the load-displacement curve and compared with the experimental values as well.

Generating multi-double-scroll attractors via nonautonomous approach.

PubMed

Hong, Qinghui; Xie, Qingguo; Shen, Yi; Wang, Xiaoping

2016-08-01

It is a common phenomenon that multi-scroll attractors are realized by introducing the various nonlinear functions with multiple breakpoints in double scroll chaotic systems. Differently, we present a nonautonomous approach for generating multi-double-scroll attractors (MDSA) without changing the original nonlinear functions. By using the multi-level-logic pulse excitation technique in double scroll chaotic systems, MDSA can be generated. A Chua's circuit, a Jerk circuit, and a modified Lorenz system are given as designed example and the Matlab simulation results are presented. Furthermore, the corresponding realization circuits are designed. The Pspice results are in agreement with numerical simulation results, which verify the availability and feasibility of this method.

Multi-Algorithm Particle Simulations with Spatiocyte.

PubMed

Arjunan, Satya N V; Takahashi, Koichi

2017-01-01

As quantitative biologists get more measurements of spatially regulated systems such as cell division and polarization, simulation of reaction and diffusion of proteins using the data is becoming increasingly relevant to uncover the mechanisms underlying the systems. Spatiocyte is a lattice-based stochastic particle simulator for biochemical reaction and diffusion processes. Simulations can be performed at single molecule and compartment spatial scales simultaneously. Molecules can diffuse and react in 1D (filament), 2D (membrane), and 3D (cytosol) compartments. The implications of crowded regions in the cell can be investigated because each diffusing molecule has spatial dimensions. Spatiocyte adopts multi-algorithm and multi-timescale frameworks to simulate models that simultaneously employ deterministic, stochastic, and particle reaction-diffusion algorithms. Comparison of light microscopy images to simulation snapshots is supported by Spatiocyte microscopy visualization and molecule tagging features. Spatiocyte is open-source software and is freely available at http://spatiocyte.org .

Collaborative Multi-Scale 3d City and Infrastructure Modeling and Simulation

NASA Astrophysics Data System (ADS)

Breunig, M.; Borrmann, A.; Rank, E.; Hinz, S.; Kolbe, T.; Schilcher, M.; Mundani, R.-P.; Jubierre, J. R.; Flurl, M.; Thomsen, A.; Donaubauer, A.; Ji, Y.; Urban, S.; Laun, S.; Vilgertshofer, S.; Willenborg, B.; Menninghaus, M.; Steuer, H.; Wursthorn, S.; Leitloff, J.; Al-Doori, M.; Mazroobsemnani, N.

2017-09-01

Computer-aided collaborative and multi-scale 3D planning are challenges for complex railway and subway track infrastructure projects in the built environment. Many legal, economic, environmental, and structural requirements have to be taken into account. The stringent use of 3D models in the different phases of the planning process facilitates communication and collaboration between the stake holders such as civil engineers, geological engineers, and decision makers. This paper presents concepts, developments, and experiences gained by an interdisciplinary research group coming from civil engineering informatics and geo-informatics banding together skills of both, the Building Information Modeling and the 3D GIS world. New approaches including the development of a collaborative platform and 3D multi-scale modelling are proposed for collaborative planning and simulation to improve the digital 3D planning of subway tracks and other infrastructures. Experiences during this research and lessons learned are presented as well as an outlook on future research focusing on Building Information Modeling and 3D GIS applications for cities of the future.

Interface-Resolving Simulation of Collision Efficiency of Cloud Droplets

NASA Astrophysics Data System (ADS)

Wang, Lian-Ping; Peng, Cheng; Rosa, Bodgan; Onishi, Ryo

2017-11-01

Small-scale air turbulence could enhance the geometric collision rate of cloud droplets while large-scale air turbulence could augment the diffusional growth of cloud droplets. Air turbulence could also enhance the collision efficiency of cloud droplets. Accurate simulation of collision efficiency, however, requires capture of the multi-scale droplet-turbulence and droplet-droplet interactions, which has only been partially achieved in the recent past using the hybrid direct numerical simulation (HDNS) approach. % where Stokes disturbance flow is assumed. The HDNS approach has two major drawbacks: (1) the short-range droplet-droplet interaction is not treated rigorously; (2) the finite-Reynolds number correction to the collision efficiency is not included. In this talk, using two independent numerical methods, we will develop an interface-resolved simulation approach in which the disturbance flows are directly resolved numerically, combined with a rigorous lubrication correction model for near-field droplet-droplet interaction. This multi-scale approach is first used to study the effect of finite flow Reynolds numbers on the droplet collision efficiency in still air. Our simulation results show a significant finite-Re effect on collision efficiency when the droplets are of similar sizes. Preliminary results on integrating this approach in a turbulent flow laden with droplets will also be presented. This work is partially supported by the National Science Foundation.

Accelerating large-scale simulation of seismic wave propagation by multi-GPUs and three-dimensional domain decomposition

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi; Aoki, Takayuki

2010-12-01

We adopted the GPU (graphics processing unit) to accelerate the large-scale finite-difference simulation of seismic wave propagation. The simulation can benefit from the high-memory bandwidth of GPU because it is a "memory intensive" problem. In a single-GPU case we achieved a performance of about 56 GFlops, which was about 45-fold faster than that achieved by a single core of the host central processing unit (CPU). We confirmed that the optimized use of fast shared memory and registers were essential for performance. In the multi-GPU case with three-dimensional domain decomposition, the non-contiguous memory alignment in the ghost zones was found to impose quite long time in data transfer between GPU and the host node. This problem was solved by using contiguous memory buffers for ghost zones. We achieved a performance of about 2.2 TFlops by using 120 GPUs and 330 GB of total memory: nearly (or more than) 2200 cores of host CPUs would be required to achieve the same performance. The weak scaling was nearly proportional to the number of GPUs. We therefore conclude that GPU computing for large-scale simulation of seismic wave propagation is a promising approach as a faster simulation is possible with reduced computational resources compared to CPUs.

An Expanded Multi-scale Monte Carlo Simulation Method for Personalized Radiobiological Effect Estimation in Radiotherapy: a feasibility study

NASA Astrophysics Data System (ADS)

Zhang, Ying; Feng, Yuanming; Wang, Wei; Yang, Chengwen; Wang, Ping

2017-03-01

A novel and versatile “bottom-up” approach is developed to estimate the radiobiological effect of clinic radiotherapy. The model consists of multi-scale Monte Carlo simulations from organ to cell levels. At cellular level, accumulated damages are computed using a spectrum-based accumulation algorithm and predefined cellular damage database. The damage repair mechanism is modeled by an expanded reaction-rate two-lesion kinetic model, which were calibrated through replicating a radiobiological experiment. Multi-scale modeling is then performed on a lung cancer patient under conventional fractionated irradiation. The cell killing effects of two representative voxels (isocenter and peripheral voxel of the tumor) are computed and compared. At microscopic level, the nucleus dose and damage yields vary among all nucleuses within the voxels. Slightly larger percentage of cDSB yield is observed for the peripheral voxel (55.0%) compared to the isocenter one (52.5%). For isocenter voxel, survival fraction increase monotonically at reduced oxygen environment. Under an extreme anoxic condition (0.001%), survival fraction is calculated to be 80% and the hypoxia reduction factor reaches a maximum value of 2.24. In conclusion, with biological-related variations, the proposed multi-scale approach is more versatile than the existing approaches for evaluating personalized radiobiological effects in radiotherapy.

Scale-dependent intrinsic entropies of complex time series.

PubMed

Yeh, Jia-Rong; Peng, Chung-Kang; Huang, Norden E

2016-04-13

Multi-scale entropy (MSE) was developed as a measure of complexity for complex time series, and it has been applied widely in recent years. The MSE algorithm is based on the assumption that biological systems possess the ability to adapt and function in an ever-changing environment, and these systems need to operate across multiple temporal and spatial scales, such that their complexity is also multi-scale and hierarchical. Here, we present a systematic approach to apply the empirical mode decomposition algorithm, which can detrend time series on various time scales, prior to analysing a signal's complexity by measuring the irregularity of its dynamics on multiple time scales. Simulated time series of fractal Gaussian noise and human heartbeat time series were used to study the performance of this new approach. We show that our method can successfully quantify the fractal properties of the simulated time series and can accurately distinguish modulations in human heartbeat time series in health and disease. © 2016 The Author(s).

A split-step method to include electron–electron collisions via Monte Carlo in multiple rate equation simulations

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

Huthmacher, Klaus; Molberg, Andreas K.; Rethfeld, Bärbel

2016-10-01

A split-step numerical method for calculating ultrafast free-electron dynamics in dielectrics is introduced. The two split steps, independently programmed in C++11 and FORTRAN 2003, are interfaced via the presented open source wrapper. The first step solves a deterministic extended multi-rate equation for the ionization, electron–phonon collisions, and single photon absorption by free-carriers. The second step is stochastic and models electron–electron collisions using Monte-Carlo techniques. This combination of deterministic and stochastic approaches is a unique and efficient method of calculating the nonlinear dynamics of 3D materials exposed to high intensity ultrashort pulses. Results from simulations solving the proposed model demonstrate howmore » electron–electron scattering relaxes the non-equilibrium electron distribution on the femtosecond time scale.« less

A multi-scale model for geared transmission aero-thermodynamics

NASA Astrophysics Data System (ADS)

McIntyre, Sean M.

A multi-scale, multi-physics computational tool for the simulation of high-per- formance gearbox aero-thermodynamics was developed and applied to equilibrium and pathological loss-of-lubrication performance simulation. The physical processes at play in these systems include multiphase compressible ow of the air and lubricant within the gearbox, meshing kinematics and tribology, as well as heat transfer by conduction, and free and forced convection. These physics are coupled across their representative space and time scales in the computational framework developed in this dissertation. These scales span eight orders of magnitude, from the thermal response of the full gearbox O(100 m; 10 2 s), through effects at the tooth passage time scale O(10-2 m; 10-4 s), down to tribological effects on the meshing gear teeth O(10-6 m; 10-6 s). Direct numerical simulation of these coupled physics and scales is intractable. Accordingly, a scale-segregated simulation strategy was developed by partitioning and treating the contributing physical mechanisms as sub-problems, each with associated space and time scales, and appropriate coupling mechanisms. These are: (1) the long time scale thermal response of the system, (2) the multiphase (air, droplets, and film) aerodynamic flow and convective heat transfer within the gearbox, (3) the high-frequency, time-periodic thermal effects of gear tooth heating while in mesh and its subsequent cooling through the rest of rotation, (4) meshing effects including tribology and contact mechanics. The overarching goal of this dissertation was to develop software and analysis procedures for gearbox loss-of-lubrication performance. To accommodate these four physical effects and their coupling, each is treated in the CFD code as a sub problem. These physics modules are coupled algorithmically. Specifically, the high- frequency conduction analysis derives its local heat transfer coefficient and near-wall air temperature boundary conditions from a quasi-steady cyclic-symmetric simulation of the internal flow. This high-frequency conduction solution is coupled directly with a model for the meshing friction, developed by a collaborator, which was adapted for use in a finite-volume CFD code. The local surface heat flux on solid surfaces is calculated by time-averaging the heat flux in the high-frequency analysis. This serves as a fixed-flux boundary condition in the long time scale conduction module. The temperature distribution from this long time scale heat transfer calculation serves as a boundary condition for the internal convection simulation, and as the initial condition for the high-frequency heat transfer module. Using this multi-scale model, simulations were performed for equilibrium and loss-of-lubrication operation of the NASA Glenn Research Center test stand. Results were compared with experimental measurements. In addition to the multi-scale model itself, several other specific contributions were made. Eulerian models for droplets and wall-films were developed and im- plemented in the CFD code. A novel approach to retaining liquid film on the solid surfaces, and strategies for its mass exchange with droplets, were developed and verified. Models for interfacial transfer between droplets and wall-film were implemented, and include the effects of droplet deposition, splashing, bouncing, as well as film breakup. These models were validated against airfoil data. To mitigate the observed slow convergence of CFD simulations of the enclosed aerodynamic flows within gearboxes, Fourier stability analysis was applied to the SIMPLE-C fractional-step algorithm. From this, recommendations to accelerate the convergence rate through enhanced pressure-velocity coupling were made. These were shown to be effective. A fast-running finite-volume reduced-order-model of the gearbox aero-thermo- dynamics was developed, and coupled with the tribology model to investigate the sensitivity of loss-of-lubrication predictions to various model and physical param- eters. This sensitivity study was instrumental in guiding efforts toward improving the accuracy of the multi-scale model without undue increase in computational cost. In addition, the reduced-order model is now used extensively by a collaborator in tribology model development and testing. Experimental measurements of high-speed gear windage in partially and fully- shrouded configurations were performed to supplement the paucity of available validation data. This measurement program provided measurements of windage loss for a gear of design-relevant size and operating speed, as well as guidance for increasing the accuracy of future measurements.

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

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

Tourret, D.; Mertens, J. C. E.; Lieberman, E.

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure,more » supported by quantitative simulations of microstructure formation and its mechanical behavior.« less

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

DOE PAGES

Tourret, D.; Mertens, J. C. E.; Lieberman, E.; ...

2017-09-13

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure,more » supported by quantitative simulations of microstructure formation and its mechanical behavior.« less

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

NASA Astrophysics Data System (ADS)

Tourret, D.; Mertens, J. C. E.; Lieberman, E.; Imhoff, S. D.; Gibbs, J. W.; Henderson, K.; Fezzaa, K.; Deriy, A. L.; Sun, T.; Lebensohn, R. A.; Patterson, B. M.; Clarke, A. J.

2017-11-01

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure, supported by quantitative simulations of microstructure formation and its mechanical behavior.

Application of the Geophysical Scale Multi-Block Transport Modeling System to Hydrodynamic Forcing of Dredged Material Placement Sediment Transport within the James River Estuary

NASA Astrophysics Data System (ADS)

Kim, S. C.; Hayter, E. J.; Pruhs, R.; Luong, P.; Lackey, T. C.

2016-12-01

The geophysical scale circulation of the Mid Atlantic Bight and hydrologic inputs from adjacent Chesapeake Bay watersheds and tributaries influences the hydrodynamics and transport of the James River estuary. Both barotropic and baroclinic transport govern the hydrodynamics of this partially stratified estuary. Modeling the placement of dredged sediment requires accommodating this wide spectrum of atmospheric and hydrodynamic scales. The Geophysical Scale Multi-Block (GSMB) Transport Modeling System is a collection of multiple well established and USACE approved process models. Taking advantage of the parallel computing capability of multi-block modeling, we performed one year three-dimensional modeling of hydrodynamics in supporting simulation of dredged sediment placements transport and morphology changes. Model forcing includes spatially and temporally varying meteorological conditions and hydrological inputs from the watershed. Surface heat flux estimates were derived from the National Solar Radiation Database (NSRDB). The open water boundary condition for water level was obtained from an ADCIRC model application of the U. S. East Coast. Temperature-salinity boundary conditions were obtained from the Environmental Protection Agency (EPA) Chesapeake Bay Program (CBP) long-term monitoring stations database. Simulated water levels were calibrated and verified by comparison with National Oceanic and Atmospheric Administration (NOAA) tide gage locations. A harmonic analysis of the modeled tides was performed and compared with NOAA tide prediction data. In addition, project specific circulation was verified using US Army Corps of Engineers (USACE) drogue data. Salinity and temperature transport was verified at seven CBP long term monitoring stations along the navigation channel. Simulation and analysis of model results suggest that GSMB is capable of resolving the long duration, multi-scale processes inherent to practical engineering problems such as dredged material placement stability.

INTERDEPENDENCIES OF MULTI-POLLUTANT CONTROL SIMULATIONS IN AN AIR QUALITY MODEL

EPA Science Inventory

In this work, we use the Community Multi-Scale Air Quality (CMAQ) modeling system to examine the effect of several control strategies on simultaneous concentrations of ozone, PM_2.5, and three important HAPs: formaldehyde, acetaldehyde and benzene.

Simulation and Analyses of Multi-Body Separation in Launch Vehicle Staging Environment

NASA Technical Reports Server (NTRS)

Pamadi, Bandu N.; Hotchko, Nathaniel J.; Samareh, Jamshid; Covell, Peter F.; Tartabini, Paul V.

2006-01-01

The development of methodologies, techniques, and tools for analysis and simulation of multi-body separation is critically needed for successful design and operation of next generation launch vehicles. As a part of this activity, ConSep simulation tool is being developed. ConSep is a generic MATLAB-based front-and-back-end to the commercially available ADAMS. solver, an industry standard package for solving multi-body dynamic problems. This paper discusses the 3-body separation capability in ConSep and its application to the separation of the Shuttle Solid Rocket Boosters (SRBs) from the External Tank (ET) and the Orbiter. The results are compared with STS-1 flight data.

Towards European-scale convection-resolving climate simulations with GPUs: a study with COSMO 4.19

NASA Astrophysics Data System (ADS)

Leutwyler, David; Fuhrer, Oliver; Lapillonne, Xavier; Lüthi, Daniel; Schär, Christoph

2016-09-01

The representation of moist convection in climate models represents a major challenge, due to the small scales involved. Using horizontal grid spacings of O(1km), convection-resolving weather and climate models allows one to explicitly resolve deep convection. However, due to their extremely demanding computational requirements, they have so far been limited to short simulations and/or small computational domains. Innovations in supercomputing have led to new hybrid node designs, mixing conventional multi-core hardware and accelerators such as graphics processing units (GPUs). One of the first atmospheric models that has been fully ported to these architectures is the COSMO (Consortium for Small-scale Modeling) model.Here we present the convection-resolving COSMO model on continental scales using a version of the model capable of using GPU accelerators. The verification of a week-long simulation containing winter storm Kyrill shows that, for this case, convection-parameterizing simulations and convection-resolving simulations agree well. Furthermore, we demonstrate the applicability of the approach to longer simulations by conducting a 3-month-long simulation of the summer season 2006. Its results corroborate the findings found on smaller domains such as more credible representation of the diurnal cycle of precipitation in convection-resolving models and a tendency to produce more intensive hourly precipitation events. Both simulations also show how the approach allows for the representation of interactions between synoptic-scale and meso-scale atmospheric circulations at scales ranging from 1000 to 10 km. This includes the formation of sharp cold frontal structures, convection embedded in fronts and small eddies, or the formation and organization of propagating cold pools. Finally, we assess the performance gain from using heterogeneous hardware equipped with GPUs relative to multi-core hardware. With the COSMO model, we now use a weather and climate model that has all the necessary modules required for real-case convection-resolving regional climate simulations on GPUs.

Simulations of multi-contrast x-ray imaging using near-field speckles

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

Zdora, Marie-Christine; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom and Department of Physics & Astronomy, University College London, London, WC1E 6BT; Thibault, Pierre

2016-01-28

X-ray dark-field and phase-contrast imaging using near-field speckles is a novel technique that overcomes limitations inherent in conventional absorption x-ray imaging, i.e. poor contrast for features with similar density. Speckle-based imaging yields a wealth of information with a simple setup tolerant to polychromatic and divergent beams, and simple data acquisition and analysis procedures. Here, we present a simulation software used to model the image formation with the speckle-based technique, and we compare simulated results on a phantom sample with experimental synchrotron data. Thorough simulation of a speckle-based imaging experiment will help for better understanding and optimising the technique itself.

Parameterisation of multi-scale continuum perfusion models from discrete vascular networks.

PubMed

Hyde, Eoin R; Michler, Christian; Lee, Jack; Cookson, Andrew N; Chabiniok, Radek; Nordsletten, David A; Smith, Nicolas P

2013-05-01

Experimental data and advanced imaging techniques are increasingly enabling the extraction of detailed vascular anatomy from biological tissues. Incorporation of anatomical data within perfusion models is non-trivial, due to heterogeneous vessel density and disparate radii scales. Furthermore, previous idealised networks have assumed a spatially repeating motif or periodic canonical cell, thereby allowing for a flow solution via homogenisation. However, such periodicity is not observed throughout anatomical networks. In this study, we apply various spatial averaging methods to discrete vascular geometries in order to parameterise a continuum model of perfusion. Specifically, a multi-compartment Darcy model was used to provide vascular scale separation for the fluid flow. Permeability tensor fields were derived from both synthetic and anatomically realistic networks using (1) porosity-scaled isotropic, (2) Huyghe and Van Campen, and (3) projected-PCA methods. The Darcy pressure fields were compared via a root-mean-square error metric to an averaged Poiseuille pressure solution over the same domain. The method of Huyghe and Van Campen performed better than the other two methods in all simulations, even for relatively coarse networks. Furthermore, inter-compartment volumetric flux fields, determined using the spatially averaged discrete flux per unit pressure difference, were shown to be accurate across a range of pressure boundary conditions. This work justifies the application of continuum flow models to characterise perfusion resulting from flow in an underlying vascular network.

Hybrid network modeling and the effect of image resolution on digitally-obtained petrophysical and two-phase flow properties

NASA Astrophysics Data System (ADS)

Aghaei, A.

2017-12-01

Digital imaging and modeling of rocks and subsequent simulation of physical phenomena in digitally-constructed rock models are becoming an integral part of core analysis workflows. One of the inherent limitations of image-based analysis, at any given scale, is image resolution. This limitation becomes more evident when the rock has multiple scales of porosity such as in carbonates and tight sandstones. Multi-scale imaging and constructions of hybrid models that encompass images acquired at multiple scales and resolutions are proposed as a solution to this problem. In this study, we investigate the effect of image resolution and unresolved porosity on petrophysical and two-phase flow properties calculated based on images. A helical X-ray micro-CT scanner with a high cone-angle is used to acquire digital rock images that are free of geometric distortion. To remove subjectivity from the analyses, a semi-automated image processing technique is used to process and segment the acquired data into multiple phases. Direct and pore network based models are used to simulate physical phenomena and obtain absolute permeability, formation factor and two-phase flow properties such as relative permeability and capillary pressure. The effect of image resolution on each property is investigated. Finally a hybrid network model incorporating images at multiple resolutions is built and used for simulations. The results from the hybrid model are compared against results from the model built at the highest resolution and those from laboratory tests.

Dynamic evaluation of two decades of WRF-CMAQ ozone simulations over the contiguous United States

EPA Science Inventory

Dynamic evaluation of the fully coupled Weather Research and Forecasting (WRF)– Community Multi-scale Air Quality (CMAQ) model ozone simulations over the contiguous United States (CONUS) using two decades of simulations covering the period from 1990 to 2010 is conducted to ...

Dynamic evaluation of two decades of WRF-CMAQ ozone simulations over the contiguous United States

EPA Science Inventory

Dynamic evaluation of the fully coupled Weather Research and Forecasting (WRF)– Community Multi-scale Air Quality (CMAQ) model ozone simulations over the contiguous United States (CONUS) using two decades of simulations covering the period from 1990 to 2010 is conducted to assess...

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: A multi-scale simulation analysis

EPA Science Inventory

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale me...

Multi-Subband Ensemble Monte Carlo simulations of scaled GAA MOSFETs

NASA Astrophysics Data System (ADS)

Donetti, L.; Sampedro, C.; Ruiz, F. G.; Godoy, A.; Gamiz, F.

2018-05-01

We developed a Multi-Subband Ensemble Monte Carlo simulator for non-planar devices, taking into account two-dimensional quantum confinement. It couples self-consistently the solution of the 3D Poisson equation, the 2D Schrödinger equation, and the 1D Boltzmann transport equation with the Ensemble Monte Carlo method. This simulator was employed to study MOS devices based on ultra-scaled Gate-All-Around Si nanowires with diameters in the range from 4 nm to 8 nm with gate length from 8 nm to 14 nm. We studied the output and transfer characteristics, interpreting the behavior in the sub-threshold region and in the ON state in terms of the spatial charge distribution and the mobility computed with the same simulator. We analyzed the results, highlighting the contribution of different valleys and subbands and the effect of the gate bias on the energy and velocity profiles. Finally the scaling behavior was studied, showing that only the devices with D = 4nm maintain a good control of the short channel effects down to the gate length of 8nm .

Analysis of the Effect of Interior Nudging on Temperature and Precipitation Distributions of Multi-year Regional Climate Simulations

NASA Astrophysics Data System (ADS)

Nolte, C. G.; Otte, T. L.; Bowden, J. H.; Otte, M. J.

2010-12-01

There is disagreement in the regional climate modeling community as to the appropriateness of the use of internal nudging. Some investigators argue that the regional model should be minimally constrained and allowed to respond to regional-scale forcing, while others have noted that in the absence of interior nudging, significant large-scale discrepancies develop between the regional model solution and the driving coarse-scale fields. These discrepancies lead to reduced confidence in the ability of regional climate models to dynamically downscale global climate model simulations under climate change scenarios, and detract from the usability of the regional simulations for impact assessments. The advantages and limitations of interior nudging schemes for regional climate modeling are investigated in this study. Multi-year simulations using the WRF model driven by reanalysis data over the continental United States at 36km resolution are conducted using spectral nudging, grid point nudging, and for a base case without interior nudging. The means, distributions, and inter-annual variability of temperature and precipitation will be evaluated in comparison to regional analyses.

Multidimensional scaling for evolutionary algorithms--visualization of the path through search space and solution space using Sammon mapping.

PubMed

Pohlheim, Hartmut

2006-01-01

Multidimensional scaling as a technique for the presentation of high-dimensional data with standard visualization techniques is presented. The technique used is often known as Sammon mapping. We explain the mathematical foundations of multidimensional scaling and its robust calculation. We also demonstrate the use of this technique in the area of evolutionary algorithms. First, we present the visualization of the path through the search space of the best individuals during an optimization run. We then apply multidimensional scaling to the comparison of multiple runs regarding the variables of individuals and multi-criteria objective values (path through the solution space).

Advanced Composite Wind Turbine Blade Design Based on Durability and Damage Tolerance

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

Abumeri, Galib; Abdi, Frank

2012-02-16

The objective of the program was to demonstrate and verify Certification-by-Analysis (CBA) capability for wind turbine blades made from advanced lightweight composite materials. The approach integrated durability and damage tolerance analysis with robust design and virtual testing capabilities to deliver superior, durable, low weight, low cost, long life, and reliable wind blade design. The GENOA durability and life prediction software suite was be used as the primary simulation tool. First, a micromechanics-based computational approach was used to assess the durability of composite laminates with ply drop features commonly used in wind turbine applications. Ply drops occur in composite joints andmore » closures of wind turbine blades to reduce skin thicknesses along the blade span. They increase localized stress concentration, which may cause premature delamination failure in composite and reduced fatigue service life. Durability and damage tolerance (D&DT) were evaluated utilizing a multi-scale micro-macro progressive failure analysis (PFA) technique. PFA is finite element based and is capable of detecting all stages of material damage including initiation and propagation of delamination. It assesses multiple failure criteria and includes the effects of manufacturing anomalies (i.e., void, fiber waviness). Two different approaches have been used within PFA. The first approach is Virtual Crack Closure Technique (VCCT) PFA while the second one is strength-based. Constituent stiffness and strength properties for glass and carbon based material systems were reverse engineered for use in D&DT evaluation of coupons with ply drops under static loading. Lamina and laminate properties calculated using manufacturing and composite architecture details matched closely published test data. Similarly, resin properties were determined for fatigue life calculation. The simulation not only reproduced static strength and fatigue life as observed in the test, it also showed composite damage and fracture modes that resemble those reported in the tests. The results show that computational simulation can be relied on to enhance the design of tapered composite structures such as the ones used in turbine wind blades. A computational simulation for durability, damage tolerance (D&DT) and reliability of composite wind turbine blade structures in presence of uncertainties in material properties was performed. A composite turbine blade was first assessed with finite element based multi-scale progressive failure analysis to determine failure modes and locations as well as the fracture load. D&DT analyses were then validated with static test performed at Sandia National Laboratories. The work was followed by detailed weight analysis to identify contribution of various materials to the overall weight of the blade. The methodology ensured that certain types of failure modes, such as delamination progression, are contained to reduce risk to the structure. Probabilistic analysis indicated that composite shear strength has a great influence on the blade ultimate load under static loading. Weight was reduced by 12% with robust design without loss in reliability or D&DT. Structural benefits obtained with the use of enhanced matrix properties through nanoparticles infusion were also assessed. Thin unidirectional fiberglass layers enriched with silica nanoparticles were applied to the outer surfaces of a wind blade to improve its overall structural performance and durability. The wind blade was a 9-meter prototype structure manufactured and tested subject to three saddle static loading at Sandia National Laboratory (SNL). The blade manufacturing did not include the use of any nano-material. With silica nanoparticles in glass composite applied to the exterior surfaces of the blade, the durability and damage tolerance (D&DT) results from multi-scale PFA showed an increase in ultimate load of the blade by 9.2% as compared to baseline structural performance (without nano). The use of nanoparticles lead to a delay in the onset of delamination. Load-displacement relationships obtained from testing of the blade with baseline neat material were compared to the ones from analytical simulation using neat resin and using silica nanoparticles in the resin. Multi-scale PFA results for the neat material construction matched closely those from test for both load displacement and location and type of damage and failure. AlphaSTAR demonstrated that wind blade structures made from advanced composite materials can be certified with multi-scale progressive failure analysis by following building block verification approach.« less

Global 7 km mesh nonhydrostatic Model Intercomparison Project for improving TYphoon forecast (TYMIP-G7): experimental design and preliminary results

NASA Astrophysics Data System (ADS)

Nakano, Masuo; Wada, Akiyoshi; Sawada, Masahiro; Yoshimura, Hiromasa; Onishi, Ryo; Kawahara, Shintaro; Sasaki, Wataru; Nasuno, Tomoe; Yamaguchi, Munehiko; Iriguchi, Takeshi; Sugi, Masato; Takeuchi, Yoshiaki

2017-03-01

Recent advances in high-performance computers facilitate operational numerical weather prediction by global hydrostatic atmospheric models with horizontal resolutions of ˜ 10 km. Given further advances in such computers and the fact that the hydrostatic balance approximation becomes invalid for spatial scales < 10 km, the development of global nonhydrostatic models with high accuracy is urgently required. The Global 7 km mesh nonhydrostatic Model Intercomparison Project for improving TYphoon forecast (TYMIP-G7) is designed to understand and statistically quantify the advantages of high-resolution nonhydrostatic global atmospheric models to improve tropical cyclone (TC) prediction. A total of 137 sets of 5-day simulations using three next-generation nonhydrostatic global models with horizontal resolutions of 7 km and a conventional hydrostatic global model with a horizontal resolution of 20 km were run on the Earth Simulator. The three 7 km mesh nonhydrostatic models are the nonhydrostatic global spectral atmospheric Double Fourier Series Model (DFSM), the Multi-Scale Simulator for the Geoenvironment (MSSG) and the Nonhydrostatic ICosahedral Atmospheric Model (NICAM). The 20 km mesh hydrostatic model is the operational Global Spectral Model (GSM) of the Japan Meteorological Agency. Compared with the 20 km mesh GSM, the 7 km mesh models reduce systematic errors in the TC track, intensity and wind radii predictions. The benefits of the multi-model ensemble method were confirmed for the 7 km mesh nonhydrostatic global models. While the three 7 km mesh models reproduce the typical axisymmetric mean inner-core structure, including the primary and secondary circulations, the simulated TC structures and their intensities in each case are very different for each model. In addition, the simulated track is not consistently better than that of the 20 km mesh GSM. These results suggest that the development of more sophisticated initialization techniques and model physics is needed to further improve the TC prediction.

Evaluating 20th Century precipitation characteristics between multi-scale atmospheric models with different land-atmosphere coupling

NASA Astrophysics Data System (ADS)

Phillips, M.; Denning, A. S.; Randall, D. A.; Branson, M.

2016-12-01

Multi-scale models of the atmosphere provide an opportunity to investigate processes that are unresolved by traditional Global Climate Models while at the same time remaining viable in terms of computational resources for climate-length time scales. The MMF represents a shift away from large horizontal grid spacing in traditional GCMs that leads to overabundant light precipitation and lack of heavy events, toward a model where precipitation intensity is allowed to vary over a much wider range of values. Resolving atmospheric motions on the scale of 4 km makes it possible to recover features of precipitation, such as intense downpours, that were previously only obtained by computationally expensive regional simulations. These heavy precipitation events may have little impact on large-scale moisture and energy budgets, but are outstanding in terms of interaction with the land surface and potential impact on human life. Three versions of the Community Earth System Model were used in this study; the standard CESM, the multi-scale `Super-Parameterized' CESM where large-scale parameterizations have been replaced with a 2D cloud-permitting model, and a multi-instance land version of the SP-CESM where each column of the 2D CRM is allowed to interact with an individual land unit. These simulations were carried out using prescribed Sea Surface Temperatures for the period from 1979-2006 with daily precipitation saved for all 28 years. Comparisons of the statistical properties of precipitation between model architectures and against observations from rain gauges were made, with specific focus on detection and evaluation of extreme precipitation events.

MP-Pic simulation of CFB riser with EMMS-based drag model

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

Li, F.; Song, F.; Benyahia, S.

2012-01-01

MP-PIC (multi-phase particle in cell) method combined with the EMMS (energy minimization multi- scale) drag force model was implemented with the open source program MFIX to simulate the gas–solid flows in CFB (circulatingfluidizedbed) risers. Calculated solid flux by the EMMS drag agrees well with the experimental value; while the traditional homogeneous drag over-predicts this value. EMMS drag force model can also predict the macro-and meso-scale structures. Quantitative comparison of the results by the EMMS drag force model and the experimental measurements show high accuracy of the model. The effects of the number of particles per parcel and wall conditions onmore » the simulation results have also been investigated in the paper. This work proved that MP-PIC combined with the EMMS drag model can successfully simulate the fluidized flows in CFB risers and it serves as a candidate to realize real-time simulation of industrial processes in the future.« less

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates: ALCF-2 Early Science Program Technical Report

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

Ely, Geoffrey P.

2013-10-31

This project uses dynamic rupture simulations to investigate high-frequency seismic energy generation. The relevant phenomena (frictional breakdown, shear heating, effective normal-stress fluctuations, material damage, etc.) controlling rupture are strongly interacting and span many orders of magnitude in spatial scale, requiring highresolution simulations that couple disparate physical processes (e.g., elastodynamics, thermal weakening, pore-fluid transport, and heat conduction). Compounding the computational challenge, we know that natural faults are not planar, but instead have roughness that can be approximated by power laws potentially leading to large, multiscale fluctuations in normal stress. The capacity to perform 3D rupture simulations that couple these processes willmore » provide guidance for constructing appropriate source models for high-frequency ground motion simulations. The improved rupture models from our multi-scale dynamic rupture simulations will be used to conduct physicsbased (3D waveform modeling-based) probabilistic seismic hazard analysis (PSHA) for California. These calculation will provide numerous important seismic hazard results, including a state-wide extended earthquake rupture forecast with rupture variations for all significant events, a synthetic seismogram catalog for thousands of scenario events and more than 5000 physics-based seismic hazard curves for California.« less

The Australian Computational Earth Systems Simulator

NASA Astrophysics Data System (ADS)

Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.

2001-12-01

Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic behaviour of earth systems. ACcESS represents a part of Australia's contribution to the APEC Cooperation for Earthquake Simulation (ACES) international initiative. Together with other national earth systems science initiatives including the Japanese Earth Simulator and US General Earthquake Model projects, ACcESS aims to provide a driver for scientific advancement and technological breakthroughs including: quantum leaps in understanding of earth evolution at global, crustal, regional and microscopic scales; new knowledge of the physics of crustal fault systems required to underpin the grand challenge of earthquake prediction; new understanding and predictive capabilities of geological processes such as tectonics and mineralisation.

Flow and heat transfer experiments in the turbine airfoil/endwall region

NASA Astrophysics Data System (ADS)

Chung, Jin Taek

An experimental investigation of the three-dimensional flow and heat transfer near the junction between the endwall and suction wall of a gas turbine was performed. A large-scale, two-half-blade facility which simulates a turbine cascade was introduced. The simulator consists of two large half-blade sections, one wall simulating the pressure surface and the other wall simulating the suction surface. The advantage of this configuration is that the features of the secondary flow are large, because of the relatively large test section, and the flow is easily accessible with probes. Qualification of this simulator was by comparison to a multi-blade cascade flow. Various flow visualization techniques--oil and lampblack, ink and oil of wintergeeen, a single tuft probe, and a tuft grid--were employed to confirm that the important features of the cascade flow were replicated in this simulator. The triangular region on the suction surface, which was affected by the passage vortex, and the endwall secondary crossflow were observed by shear stress visualization and the liquid crystal measurement techniques. In order to investigate the effects of the turbulence level on the secondary flow in a turbine passage, a turbulence generator, designed to reproduce the characteristics of a combustor exit flow, was built. The generator was designed not only to generate a high turbulence level but to produce three main features of a combustor exit flow. The generator produced a turbulence intensity level of about 10 percent and an integral length scale of 5 centimeters. It was observed that the endwall secondary flow, including the passage vortex, is not significantly influenced by freestream turbulence levels up to 10 percent. A flow management technique using a boundary layer fence designed to reduce some harmful effects of secondary flow in the endwall region of a turbine passage was introduced. The boundary layer fence is effective in changing the passage of the vortex and reducing the influence of the vortex near the suction wall. The fence was even more effective in reducing secondary flows for high levels of freestream turbulence (approximately 10 percent).

Investigation of flow dynamics of liquid phase in a pilot-scale trickle bed reactor using radiotracer technique.

PubMed

Pant, H J; Sharma, V K

2016-10-01

A radiotracer investigation was carried out to measure residence time distribution (RTD) of liquid phase in a trickle bed reactor (TBR). The main objectives of the investigation were to investigate radial and axial mixing of the liquid phase, and evaluate performance of the liquid distributor/redistributor at different operating conditions. Mean residence times (MRTs), holdups (H) and fraction of flow flowing along different quadrants were estimated. The analysis of the measured RTD curves indicated radial non-uniform distribution of liquid phase across the beds. The overall RTD of the liquid phase, measured at the exit of the reactor was simulated using a multi-parameter axial dispersion with exchange model (ADEM), and model parameters were obtained. The results of model simulations indicated that the TBR behaved as a plug flow reactor at most of the operating conditions used in the investigation. The results of the investigation helped to improve the existing design as well as to design a full-scale industrial TBR for petroleum refining applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nonhydrostatic icosahedral atmospheric model (NICAM) for global cloud resolving simulations

NASA Astrophysics Data System (ADS)

Satoh, M.; Matsuno, T.; Tomita, H.; Miura, H.; Nasuno, T.; Iga, S.

2008-03-01

A new type of ultra-high resolution atmospheric global circulation model is developed. The new model is designed to perform "cloud resolving simulations" by directly calculating deep convection and meso-scale circulations, which play key roles not only in the tropical circulations but in the global circulations of the atmosphere. Since cores of deep convection have a few km in horizontal size, they have not directly been resolved by existing atmospheric general circulation models (AGCMs). In order to drastically enhance horizontal resolution, a new framework of a global atmospheric model is required; we adopted nonhydrostatic governing equations and icosahedral grids to the new model, and call it Nonhydrostatic ICosahedral Atmospheric Model (NICAM). In this article, we review governing equations and numerical techniques employed, and present the results from the unique 3.5-km mesh global experiments—with O(10 9) computational nodes—using realistic topography and land/ocean surface thermal forcing. The results show realistic behaviors of multi-scale convective systems in the tropics, which have not been captured by AGCMs. We also argue future perspective of the roles of the new model in the next generation atmospheric sciences.

High-resolution time-frequency representation of EEG data using multi-scale wavelets

NASA Astrophysics Data System (ADS)

Li, Yang; Cui, Wei-Gang; Luo, Mei-Lin; Li, Ke; Wang, Lina

2017-09-01

An efficient time-varying autoregressive (TVAR) modelling scheme that expands the time-varying parameters onto the multi-scale wavelet basis functions is presented for modelling nonstationary signals and with applications to time-frequency analysis (TFA) of electroencephalogram (EEG) signals. In the new parametric modelling framework, the time-dependent parameters of the TVAR model are locally represented by using a novel multi-scale wavelet decomposition scheme, which can allow the capability to capture the smooth trends as well as track the abrupt changes of time-varying parameters simultaneously. A forward orthogonal least square (FOLS) algorithm aided by mutual information criteria are then applied for sparse model term selection and parameter estimation. Two simulation examples illustrate that the performance of the proposed multi-scale wavelet basis functions outperforms the only single-scale wavelet basis functions or Kalman filter algorithm for many nonstationary processes. Furthermore, an application of the proposed method to a real EEG signal demonstrates the new approach can provide highly time-dependent spectral resolution capability.

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: a multi-scale simulation analysis.

PubMed

Knightes, C D; Golden, H E; Journey, C A; Davis, G M; Conrads, P A; Marvin-DiPasquale, M; Brigham, M E; Bradley, P M

2014-04-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km(2)) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km(2) and 25 km(2)) and the encompassing watershed (79 km(2)). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport. Published by Elsevier Ltd.

Long-term monitoring on environmental disasters using multi-source remote sensing technique

NASA Astrophysics Data System (ADS)

Kuo, Y. C.; Chen, C. F.

2017-12-01

Environmental disasters are extreme events within the earth's system that cause deaths and injuries to humans, as well as causing damages and losses of valuable assets, such as buildings, communication systems, farmlands, forest and etc. In disaster management, a large amount of multi-temporal spatial data is required. Multi-source remote sensing data with different spatial, spectral and temporal resolutions is widely applied on environmental disaster monitoring. With multi-source and multi-temporal high resolution images, we conduct rapid, systematic and seriate observations regarding to economic damages and environmental disasters on earth. It is based on three monitoring platforms: remote sensing, UAS (Unmanned Aircraft Systems) and ground investigation. The advantages of using UAS technology include great mobility and availability in real-time rapid and more flexible weather conditions. The system can produce long-term spatial distribution information from environmental disasters, obtaining high-resolution remote sensing data and field verification data in key monitoring areas. It also supports the prevention and control on ocean pollutions, illegally disposed wastes and pine pests in different scales. Meanwhile, digital photogrammetry can be applied on the camera inside and outside the position parameters to produce Digital Surface Model (DSM) data. The latest terrain environment information is simulated by using DSM data, and can be used as references in disaster recovery in the future.

Correlative Tomography

PubMed Central

Burnett, T. L.; McDonald, S. A.; Gholinia, A.; Geurts, R.; Janus, M.; Slater, T.; Haigh, S. J.; Ornek, C.; Almuaili, F.; Engelberg, D. L.; Thompson, G. E.; Withers, P. J.

2014-01-01

Increasingly researchers are looking to bring together perspectives across multiple scales, or to combine insights from different techniques, for the same region of interest. To this end, correlative microscopy has already yielded substantial new insights in two dimensions (2D). Here we develop correlative tomography where the correlative task is somewhat more challenging because the volume of interest is typically hidden beneath the sample surface. We have threaded together x-ray computed tomography, serial section FIB-SEM tomography, electron backscatter diffraction and finally TEM elemental analysis all for the same 3D region. This has allowed observation of the competition between pitting corrosion and intergranular corrosion at multiple scales revealing the structural hierarchy, crystallography and chemistry of veiled corrosion pits in stainless steel. With automated correlative workflows and co-visualization of the multi-scale or multi-modal datasets the technique promises to provide insights across biological, geological and materials science that are impossible using either individual or multiple uncorrelated techniques. PMID:24736640

Multi-level Monte Carlo Methods for Efficient Simulation of Coulomb Collisions

NASA Astrophysics Data System (ADS)

Ricketson, Lee

2013-10-01

We discuss the use of multi-level Monte Carlo (MLMC) schemes--originally introduced by Giles for financial applications--for the efficient simulation of Coulomb collisions in the Fokker-Planck limit. The scheme is based on a Langevin treatment of collisions, and reduces the computational cost of achieving a RMS error scaling as ɛ from O (ɛ-3) --for standard Langevin methods and binary collision algorithms--to the theoretically optimal scaling O (ɛ-2) for the Milstein discretization, and to O (ɛ-2 (logɛ)2) with the simpler Euler-Maruyama discretization. In practice, this speeds up simulation by factors up to 100. We summarize standard MLMC schemes, describe some tricks for achieving the optimal scaling, present results from a test problem, and discuss the method's range of applicability. This work was performed under the auspices of the U.S. DOE by the University of California, Los Angeles, under grant DE-FG02-05ER25710, and by LLNL under contract DE-AC52-07NA27344.

Communication and cooperation in underwater acoustic networks

NASA Astrophysics Data System (ADS)

Yerramalli, Srinivas

In this thesis, we present a study of several problems related to underwater point to point communications and network formation. We explore techniques to improve the achievable data rate on a point to point link using better physical layer techniques and then study sensor cooperation which improves the throughput and reliability in an underwater network. Robust point-to-point communications in underwater networks has become increasingly critical in several military and civilian applications related to underwater communications. We present several physical layer signaling and detection techniques tailored to the underwater channel model to improve the reliability of data detection. First, a simplified underwater channel model in which the time scale distortion on each path is assumed to be the same (single scale channel model in contrast to a more general multi scale model). A novel technique, which exploits the nature of OFDM signaling and the time scale distortion, called Partial FFT Demodulation is derived. It is observed that this new technique has some unique interference suppression properties and performs better than traditional equalizers in several scenarios of interest. Next, we consider the multi scale model for the underwater channel and assume that single scale processing is performed at the receiver. We then derive optimized front end pre-processing techniques to reduce the interference caused during single scale processing of signals transmitted on a multi-scale channel. We then propose an improvised channel estimation technique using dictionary optimization methods for compressive sensing and show that significant performance gains can be obtained using this technique. In the next part of this thesis, we consider the problem of sensor node cooperation among rational nodes whose objective is to improve their individual data rates. We first consider the problem of transmitter cooperation in a multiple access channel and investigate the stability of the grand coalition of transmitters using tools from cooperative game theory and show that the grand coalition in both the asymptotic regimes of high and low SNR. Towards studying the problem of receiver cooperation for a broadcast channel, we propose a game theoretic model for the broadcast channel and then derive a game theoretic duality between the multiple access and the broadcast channel and show that how the equilibria of the broadcast channel are related to the multiple access channel and vice versa.

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement

PubMed Central

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-01-01

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro–meso–scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy–enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy–enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates. PMID:28869520

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement.

PubMed

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-09-03

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro-meso-scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy-enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy-enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates.

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

PubMed Central

Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

2015-01-01

We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling. PMID:25637963

Electrical stimulus artifact cancellation and neural spike detection on large multi-electrode arrays

PubMed Central

Grosberg, Lauren E.; Madugula, Sasidhar; Litke, Alan; Cunningham, John; Chichilnisky, E. J.; Paninski, Liam

2017-01-01

Simultaneous electrical stimulation and recording using multi-electrode arrays can provide a valuable technique for studying circuit connectivity and engineering neural interfaces. However, interpreting these measurements is challenging because the spike sorting process (identifying and segregating action potentials arising from different neurons) is greatly complicated by electrical stimulation artifacts across the array, which can exhibit complex and nonlinear waveforms, and overlap temporarily with evoked spikes. Here we develop a scalable algorithm based on a structured Gaussian Process model to estimate the artifact and identify evoked spikes. The effectiveness of our methods is demonstrated in both real and simulated 512-electrode recordings in the peripheral primate retina with single-electrode and several types of multi-electrode stimulation. We establish small error rates in the identification of evoked spikes, with a computational complexity that is compatible with real-time data analysis. This technology may be helpful in the design of future high-resolution sensory prostheses based on tailored stimulation (e.g., retinal prostheses), and for closed-loop neural stimulation at a much larger scale than currently possible. PMID:29131818

Electrical stimulus artifact cancellation and neural spike detection on large multi-electrode arrays.

PubMed

Mena, Gonzalo E; Grosberg, Lauren E; Madugula, Sasidhar; Hottowy, Paweł; Litke, Alan; Cunningham, John; Chichilnisky, E J; Paninski, Liam

2017-11-01

Simultaneous electrical stimulation and recording using multi-electrode arrays can provide a valuable technique for studying circuit connectivity and engineering neural interfaces. However, interpreting these measurements is challenging because the spike sorting process (identifying and segregating action potentials arising from different neurons) is greatly complicated by electrical stimulation artifacts across the array, which can exhibit complex and nonlinear waveforms, and overlap temporarily with evoked spikes. Here we develop a scalable algorithm based on a structured Gaussian Process model to estimate the artifact and identify evoked spikes. The effectiveness of our methods is demonstrated in both real and simulated 512-electrode recordings in the peripheral primate retina with single-electrode and several types of multi-electrode stimulation. We establish small error rates in the identification of evoked spikes, with a computational complexity that is compatible with real-time data analysis. This technology may be helpful in the design of future high-resolution sensory prostheses based on tailored stimulation (e.g., retinal prostheses), and for closed-loop neural stimulation at a much larger scale than currently possible.

Partitioning dynamics of unsaturated flows in fractured porous media: Laboratory studies and three-dimensional multi-scale smoothed particle hydrodynamics simulations of gravity-driven flow in fractures

NASA Astrophysics Data System (ADS)

Kordilla, J.; Bresinsky, L. T.; Shigorina, E.; Noffz, T.; Dentz, M.; Sauter, M.; Tartakovsky, A. M.

2017-12-01

Preferential flow dynamics in unsaturated fractures remain a challenging topic on various scales. On pore- and fracture-scales the highly erratic gravity-driven flow dynamics often provoke a strong deviation from classical volume-effective approaches. Against the common notion that flow in fractures (or macropores) can only occur under equilibrium conditions, i.e., if the surrounding porous matrix is fully saturated and capillary pressures are high enough to allow filling of the fracture void space, arrival times suggest the existence of rapid preferential flow along fractures, fracture networks, and fault zones, even if the matrix is not fully saturated. Modeling such flows requires efficient numerical techniques to cover various flow-relevant physics, such as surface tension, static and dynamic contact angles, free-surface (multi-phase) interface dynamics, and formation of singularities. Here we demonstrate the importance of such flow modes on the partitioning dynamics at simple fracture intersections, with a combination of laboratory experiments, analytical solutions and numerical simulations using our newly developed massively parallel smoothed particle hydrodynamics (SPH) code. Flow modes heavily influence the "bypass" behavior of water flowing along a fracture junction. Flows favoring the formation of droplets exhibit a much stronger bypass capacity compared to rivulet flows, where nearly the whole fluid mass is initially stored within the horizontal fracture. This behavior is demonstrated for a multi-inlet laboratory setup where the inlet-specific flow rate is chosen so that either a droplet or rivulet flow persists. The effect of fluid buffering within the horizontal fracture is presented in terms of dimensionless fracture inflow so that characteristic scaling regimes can be recovered. For both cases (rivulets and droplets), flow within the horizontal fracture transitions into a Washburn regime until a critical threshold is reached and the bypass efficiency increases. For rivulet flows, the initial filling of the horizontal fracture is described by classical plug flow. Meanwhile, for droplet flows, a size-dependent partitioning behavior is observed, and the filling of the fracture takes longer.

Generating multi-double-scroll attractors via nonautonomous approach

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

Hong, Qinghui; Xie, Qingguo, E-mail: qgxie@mail.hust.edu.cn; Shen, Yi

It is a common phenomenon that multi-scroll attractors are realized by introducing the various nonlinear functions with multiple breakpoints in double scroll chaotic systems. Differently, we present a nonautonomous approach for generating multi-double-scroll attractors (MDSA) without changing the original nonlinear functions. By using the multi-level-logic pulse excitation technique in double scroll chaotic systems, MDSA can be generated. A Chua's circuit, a Jerk circuit, and a modified Lorenz system are given as designed example and the Matlab simulation results are presented. Furthermore, the corresponding realization circuits are designed. The Pspice results are in agreement with numerical simulation results, which verify themore » availability and feasibility of this method.« less

Investigating lithium-ion battery materials during overcharge-induced thermal runaway: an operando and multi-scale X-ray CT study.

PubMed

Finegan, Donal P; Scheel, Mario; Robinson, James B; Tjaden, Bernhard; Di Michiel, Marco; Hinds, Gareth; Brett, Dan J L; Shearing, Paul R

2016-11-16

Catastrophic failure of lithium-ion batteries occurs across multiple length scales and over very short time periods. A combination of high-speed operando tomography, thermal imaging and electrochemical measurements is used to probe the degradation mechanisms leading up to overcharge-induced thermal runaway of a LiCoO 2 pouch cell, through its interrelated dynamic structural, thermal and electrical responses. Failure mechanisms across multiple length scales are explored using a post-mortem multi-scale tomography approach, revealing significant morphological and phase changes in the LiCoO 2 electrode microstructure and location dependent degradation. This combined operando and multi-scale X-ray computed tomography (CT) technique is demonstrated as a comprehensive approach to understanding battery degradation and failure.

Inferring multi-scale neural mechanisms with brain network modelling

PubMed Central

Schirner, Michael; McIntosh, Anthony Randal; Jirsa, Viktor; Deco, Gustavo

2018-01-01

The neurophysiological processes underlying non-invasive brain activity measurements are incompletely understood. Here, we developed a connectome-based brain network model that integrates individual structural and functional data with neural population dynamics to support multi-scale neurophysiological inference. Simulated populations were linked by structural connectivity and, as a novelty, driven by electroencephalography (EEG) source activity. Simulations not only predicted subjects' individual resting-state functional magnetic resonance imaging (fMRI) time series and spatial network topologies over 20 minutes of activity, but more importantly, they also revealed precise neurophysiological mechanisms that underlie and link six empirical observations from different scales and modalities: (1) resting-state fMRI oscillations, (2) functional connectivity networks, (3) excitation-inhibition balance, (4, 5) inverse relationships between α-rhythms, spike-firing and fMRI on short and long time scales, and (6) fMRI power-law scaling. These findings underscore the potential of this new modelling framework for general inference and integration of neurophysiological knowledge to complement empirical studies. PMID:29308767

Propulsion simulation for magnetically suspended wind tunnel models

NASA Technical Reports Server (NTRS)

Joshi, Prakash B.; Beerman, Henry P.; Chen, James; Krech, Robert H.; Lintz, Andrew L.; Rosen, David I.

1990-01-01

The feasibility of simulating propulsion-induced aerodynamic effects on scaled aircraft models in wind tunnels employing Magnetic Suspension and Balance Systems. The investigation concerned itself with techniques of generating exhaust jets of appropriate characteristics. The objectives were to: (1) define thrust and mass flow requirements of jets; (2) evaluate techniques for generating propulsive gas within volume limitations imposed by magnetically-suspended models; (3) conduct simple diagnostic experiments for techniques involving new concepts; and (4) recommend experiments for demonstration of propulsion simulation techniques. Various techniques of generating exhaust jets of appropriate characteristics were evaluated on scaled aircraft models in wind tunnels with MSBS. Four concepts of remotely-operated propulsion simulators were examined. Three conceptual designs involving innovative adaptation of convenient technologies (compressed gas cylinders, liquid, and solid propellants) were developed. The fourth innovative concept, namely, the laser-assisted thruster, which can potentially simulate both inlet and exhaust flows, was found to require very high power levels for small thrust levels.

Translating the Simulation of Procedural Drilling Techniques for Interactive Neurosurgical Training

PubMed Central

Stredney, Don; Rezai, Ali R.; Prevedello, Daniel M.; Elder, J. Bradley; Kerwin, Thomas; Hittle, Bradley; Wiet, Gregory J.

2014-01-01

Background Through previous and concurrent efforts, we have developed a fully virtual environment to provide procedural training of otologic surgical technique. The virtual environment is based on high-resolution volumetric data of the regional anatomy. This volumetric data helps drive an interactive multi-sensory, i.e., visual (stereo), aural (stereo), and tactile simulation environment. Subsequently, we have extended our efforts to support the training of neurosurgical procedural technique as part of the CNS simulation initiative. Objective The goal of this multi-level development is to deliberately study the integration of simulation technologies into the neurosurgical curriculum and to determine their efficacy in teaching minimally invasive cranial and skull base approaches. Methods We discuss issues of biofidelity as well as our methods to provide objective, quantitative automated assessment for the residents. Results We conclude with a discussion of our experiences by reporting on preliminary formative pilot studies and proposed approaches to take the simulation to the next level through additional validation studies. Conclusion We have presented our efforts to translate an otologic simulation environment for use in the neurosurgical curriculum. We have demonstrated the initial proof of principles and define the steps to integrate and validate the system as an adjuvant to the neurosurgical curriculum. PMID:24051887

Effective grid-dependent dispersion coefficient for conservative and reactive transport simulations in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Cortinez, J. M.; Valocchi, A. J.; Herrera, P. A.

2013-12-01

Because of the finite size of numerical grids, it is very difficult to correctly account for processes that occur at different spatial scales to accurately simulate the migration of conservative and reactive compounds dissolved in groundwater. In one hand, transport processes in heterogeneous porous media are controlled by local-scale dispersion associated to transport processes at the pore-scale. On the other hand, variations of velocity at the continuum- or Darcy-scale produce spreading of the contaminant plume, which is referred to as macro-dispersion. Furthermore, under some conditions both effects interact, so that spreading may enhance the action of local-scale dispersion resulting in higher mixing, dilution and reaction rates. Traditionally, transport processes at different spatial scales have been included in numerical simulations by using a single dispersion coefficient. This approach implicitly assumes that the separate effects of local-dispersion and macro-dispersion can be added and represented by a unique effective dispersion coefficient. Moreover, the selection of the effective dispersion coefficient for numerical simulations usually do not consider the filtering effect of the grid size over the small-scale flow features. We have developed a multi-scale Lagragian numerical method that allows using two different dispersion coefficients to represent local- and macro-scale dispersion. This technique considers fluid particles that carry solute mass and whose locations evolve according to a deterministic component given by the grid-scale velocity and a stochastic component that corresponds to a block-effective macro-dispersion coefficient. Mass transfer between particles due to local-scale dispersion is approximated by a meshless method. We use our model to test under which transport conditions the combined effect of local- and macro-dispersion are additive and can be represented by a single effective dispersion coefficient. We also demonstrate that for the situations where both processes are additive, an effective grid-dependent dispersion coefficient can be derived based on the concept of block-effective dispersion. We show that the proposed effective dispersion coefficient is able to reproduce dilution, mixing and reaction rates for a wide range of transport conditions similar to the ones found in many practical applications.

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

NASA Technical Reports Server (NTRS)

Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

2015-01-01

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Multi-parameter Nonlinear Gain Correction of X-ray Transition Edge Sensors for the X-ray Integral Field Unit

NASA Astrophysics Data System (ADS)

Cucchetti, E.; Eckart, M. E.; Peille, P.; Porter, F. S.; Pajot, F.; Pointecouteau, E.

2018-04-01

With its array of 3840 Transition Edge Sensors (TESs), the Athena X-ray Integral Field Unit (X-IFU) will provide spatially resolved high-resolution spectroscopy (2.5 eV up to 7 keV) from 0.2 to 12 keV, with an absolute energy scale accuracy of 0.4 eV. Slight changes in the TES operating environment can cause significant variations in its energy response function, which may result in systematic errors in the absolute energy scale. We plan to monitor such changes at pixel level via onboard X-ray calibration sources and correct the energy scale accordingly using a linear or quadratic interpolation of gain curves obtained during ground calibration. However, this may not be sufficient to meet the 0.4 eV accuracy required for the X-IFU. In this contribution, we introduce a new two-parameter gain correction technique, based on both the pulse-height estimate of a fiducial line and the baseline value of the pixels. Using gain functions that simulate ground calibration data, we show that this technique can accurately correct deviations in detector gain due to changes in TES operating conditions such as heat sink temperature, bias voltage, thermal radiation loading and linear amplifier gain. We also address potential optimisations of the onboard calibration source and compare the performance of this new technique with those previously used.

Simulation Studies of Mechanical Properties of Novel Silica Nano-structures

NASA Astrophysics Data System (ADS)

Muralidharan, Krishna; Torras Costa, Joan; Trickey, Samuel B.

2006-03-01

Advances in nanotechnology and the importance of silica as a technological material continue to stimulate computational study of the properties of possible novel silica nanostructures. Thus we have done classical molecular dynamics (MD) and multi-scale quantum mechanical (QM/MD) simulation studies of the mechanical properties of single-wall and multi-wall silica nano-rods of varying dimensions. Such nano-rods have been predicted by Mallik et al. to be unusually strong in tensile failure. Here we compare failure mechanisms of such nano-rods under tension, compression, and bending. The concurrent multi-scale QM/MD studies use the general PUPIL system (Torras et al.). In this case, PUPIL provides automated interoperation of the MNDO Transfer Hamiltonian QM code (Taylor et al.) and a locally written MD code. Embedding of the QM-forces domain is via the scheme of Mallik et al. Work supported by NSF ITR award DMR-0325553.

Termination Shock Transition in Multi-ion Multi-fluid MHD Models of the Heliosphere

NASA Astrophysics Data System (ADS)

Zieger, B.; Opher, M.; Toth, G.

2013-12-01

As evidenced by Voyager 2 observations, pickup ions (PUIs) play a significant role in the termination shock (TS) transition of the solar wind [Richardson et al., Nature, 2008]. Recent kinetic simulations [Ariad and Gedalin, JGR, 2013] came to the conclusion that the contribution of the high energy tail of PUIs is negligible at the shock transition. The Rankine-Hugoniot (R-H) relations are determined by the low energy body of PUIs. Particle-in-cell simulations by Wu et al. [JGR, 2010] have shown that the sum of the thermal solar wind and non-thermal PUI distributions downstream of the TS can be approximated with a 2-Maxwellian distribution. It is important to note that this 2-Maxwellian distribution neglects the suprathermal tail population that has a characteristic power-law distribution. These results justify the fluid description of PUIs in our large-scale multi-ion multi-fluid MHD simulations of the heliospheric interface [Prested et al., JGR, 2013; Zieger et al., GRL, 2013]. The closure of the multi-ion MHD equations could be implemented with separate momentum and energy equations for the different ion species (thermal solar wind and PUIs) where the transfer rate of momentum and energy between the two ion species are considered as source terms, like in Glocer et al. [JGR, 2009]. Another option is to solve for the total energy equation with an additional equation for the PUI pressure, as suggested by Fahr and Chalov [A&A, 2008]. In this paper, we validate the energy conservation and the R-H relations across the TS in different numerical implementations of our latest multi-ion multi-fluid MHD model. We assume an instantaneous pickup process, where the convection velocity of the two ion fluids are the same, and the so-called strong scattering approximation, where newly born PUIs attain their spherical shell distribution within a short distance on fluid scales (spatial scales much larger than the respective ion gyroradius).

An efficient and reliable predictive method for fluidized bed simulation

DOE PAGES

Lu, Liqiang; Benyahia, Sofiane; Li, Tingwen

2017-06-13

In past decades, the continuum approach was the only practical technique to simulate large-scale fluidized bed reactors because discrete approaches suffer from the cost of tracking huge numbers of particles and their collisions. This study significantly improved the computation speed of discrete particle methods in two steps: First, the time-driven hard-sphere (TDHS) algorithm with a larger time-step is proposed allowing a speedup of 20-60 times; second, the number of tracked particles is reduced by adopting the coarse-graining technique gaining an additional 2-3 orders of magnitude speedup of the simulations. A new velocity correction term was introduced and validated in TDHSmore » to solve the over-packing issue in dense granular flow. The TDHS was then coupled with the coarse-graining technique to simulate a pilot-scale riser. The simulation results compared well with experiment data and proved that this new approach can be used for efficient and reliable simulations of large-scale fluidized bed systems.« less

An efficient and reliable predictive method for fluidized bed simulation

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

Lu, Liqiang; Benyahia, Sofiane; Li, Tingwen

2017-06-29

In past decades, the continuum approach was the only practical technique to simulate large-scale fluidized bed reactors because discrete approaches suffer from the cost of tracking huge numbers of particles and their collisions. This study significantly improved the computation speed of discrete particle methods in two steps: First, the time-driven hard-sphere (TDHS) algorithm with a larger time-step is proposed allowing a speedup of 20-60 times; second, the number of tracked particles is reduced by adopting the coarse-graining technique gaining an additional 2-3 orders of magnitude speedup of the simulations. A new velocity correction term was introduced and validated in TDHSmore » to solve the over-packing issue in dense granular flow. The TDHS was then coupled with the coarse-graining technique to simulate a pilot-scale riser. The simulation results compared well with experiment data and proved that this new approach can be used for efficient and reliable simulations of large-scale fluidized bed systems.« less

Multi-hole pressure probes to air data system for subsonic small-scale air vehicles

NASA Astrophysics Data System (ADS)

Shevchenko, A. M.; Berezin, D. R.; Puzirev, L. N.; Tarasov, A. Z.; Kharitonov, A. M.; Shmakov, A. S.

2016-10-01

A brief review of research performed to develop multi-hole probes to measure of aerodynamic angles, dynamic head, and static pressure of a flying vehicle. The basis of these works is the application a well-known classical multi-hole pressure probe technique of measuring of a 3D flow to use in the air data system. Two multi-hole pressure probes with spherical and hemispherical head to air-data system for subsonic small-scale vehicles have been developed. A simple analytical probe model with separation of variables is proposed. The probes were calibrated in the wind tunnel, one of them is in-flight tested.

Efficient high-dimensional characterization of conductivity in a sand box using massive MRI-imaged concentration data

NASA Astrophysics Data System (ADS)

Lee, J. H.; Yoon, H.; Kitanidis, P. K.; Werth, C. J.; Valocchi, A. J.

2015-12-01

Characterizing subsurface properties, particularly hydraulic conductivity, is crucial for reliable and cost-effective groundwater supply management, contaminant remediation, and emerging deep subsurface activities such as geologic carbon storage and unconventional resources recovery. With recent advances in sensor technology, a large volume of hydro-geophysical and chemical data can be obtained to achieve high-resolution images of subsurface properties, which can be used for accurate subsurface flow and reactive transport predictions. However, subsurface characterization with a plethora of information requires high, often prohibitive, computational costs associated with "big data" processing and large-scale numerical simulations. As a result, traditional inversion techniques are not well-suited for problems that require coupled multi-physics simulation models with massive data. In this work, we apply a scalable inversion method called Principal Component Geostatistical Approach (PCGA) for characterizing heterogeneous hydraulic conductivity (K) distribution in a 3-D sand box. The PCGA is a Jacobian-free geostatistical inversion approach that uses the leading principal components of the prior information to reduce computational costs, sometimes dramatically, and can be easily linked with any simulation software. Sequential images of transient tracer concentrations in the sand box were obtained using magnetic resonance imaging (MRI) technique, resulting in 6 million tracer-concentration data [Yoon et. al., 2008]. Since each individual tracer observation has little information on the K distribution, the dimension of the data was reduced using temporal moments and discrete cosine transform (DCT). Consequently, 100,000 unknown K values consistent with the scale of MRI data (at a scale of 0.25^3 cm^3) were estimated by matching temporal moments and DCT coefficients of the original tracer data. Estimated K fields are close to the true K field, and even small-scale variability of the sand box was captured to highlight high K connectivity and contrasts between low and high K zones. Total number of 1,000 MODFLOW and MT3DMS simulations were required to obtain final estimates and corresponding estimation uncertainty, showing the efficiency and effectiveness of our method.

Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

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

Stander, Nielen; Basudhar, Anirban; Basu, Ushnish

2015-09-14

Ever-tightening regulations on fuel economy, and the likely future regulation of carbon emissions, demand persistent innovation in vehicle design to reduce vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials, by adding material diversity and composite materials, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing plate thickness while retaining sufficient strength and ductility required for durability and safety. A project tomore » develop computational material models for advanced high strength steel is currently being executed under the auspices of the United States Automotive Materials Partnership (USAMP) funded by the US Department of Energy. Under this program, new Third Generation Advanced High Strength Steel (i.e., 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. The objectives of the project are to integrate atomistic, microstructural, forming and performance models to create an integrated computational materials engineering (ICME) toolkit for 3GAHSS. The mechanical properties of Advanced High Strength Steels (AHSS) are controlled by many factors, including phase composition and distribution in the overall microstructure, volume fraction, size and morphology of phase constituents as well as stability of the metastable retained austenite phase. The complex phase transformation and deformation mechanisms in these steels make the well-established traditional techniques obsolete, and a multi-scale microstructure-based modeling approach following the ICME [0]strategy was therefore chosen in this project. Multi-scale modeling as a major area of research and development is an outgrowth of the Comprehensive Test Ban Treaty of 1996 which banned surface testing of nuclear devices [1]. This had the effect that experimental work was reduced from large scale tests to multiscale experiments to provide material models with validation at different length scales. In the subsequent years industry realized that multi-scale modeling and simulation-based design were transferable to the design optimization of any structural system. Horstemeyer [1] lists a number of advantages of the use of multiscale modeling. Among these are: the reduction of product development time by alleviating costly trial-and-error iterations as well as the reduction of product costs through innovations in material, product and process designs. Multi-scale modeling can reduce the number of costly large scale experiments and can increase product quality by providing more accurate predictions. Research tends to be focussed on each particular length scale, which enhances accuracy in the long term. This paper serves as an introduction to the LS-OPT and LS-DYNA methodology for multi-scale modeling. It mainly focuses on an approach to integrate material identification using material models of different length scales. As an example, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a homogenized State Variable (SV) model, is discussed and the parameter identification of the individual material models of different length scales is demonstrated. The paper concludes with thoughts on integrating the multi-scale methodology into the overall vehicle design.« less

Numerical models for fluid-grains interactions: opportunities and limitations

NASA Astrophysics Data System (ADS)

Esteghamatian, Amir; Rahmani, Mona; Wachs, Anthony

2017-06-01

In the framework of a multi-scale approach, we develop numerical models for suspension flows. At the micro scale level, we perform particle-resolved numerical simulations using a Distributed Lagrange Multiplier/Fictitious Domain approach. At the meso scale level, we use a two-way Euler/Lagrange approach with a Gaussian filtering kernel to model fluid-solid momentum transfer. At both the micro and meso scale levels, particles are individually tracked in a Lagrangian way and all inter-particle collisions are computed by a Discrete Element/Soft-sphere method. The previous numerical models have been extended to handle particles of arbitrary shape (non-spherical, angular and even non-convex) as well as to treat heat and mass transfer. All simulation tools are fully-MPI parallel with standard domain decomposition and run on supercomputers with a satisfactory scalability on up to a few thousands of cores. The main asset of multi scale analysis is the ability to extend our comprehension of the dynamics of suspension flows based on the knowledge acquired from the high-fidelity micro scale simulations and to use that knowledge to improve the meso scale model. We illustrate how we can benefit from this strategy for a fluidized bed, where we introduce a stochastic drag force model derived from micro-scale simulations to recover the proper level of particle fluctuations. Conversely, we discuss the limitations of such modelling tools such as their limited ability to capture lubrication forces and boundary layers in highly inertial flows. We suggest ways to overcome these limitations in order to enhance further the capabilities of the numerical models.

A fully non-linear multi-species Fokker–Planck–Landau collision operator for simulation of fusion plasma

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

Hager, Robert, E-mail: rhager@pppl.gov; Yoon, E.S., E-mail: yoone@rpi.edu; Ku, S., E-mail: sku@pppl.gov

2016-06-15

Fusion edge plasmas can be far from thermal equilibrium and require the use of a non-linear collision operator for accurate numerical simulations. In this article, the non-linear single-species Fokker–Planck–Landau collision operator developed by Yoon and Chang (2014) [9] is generalized to include multiple particle species. The finite volume discretization used in this work naturally yields exact conservation of mass, momentum, and energy. The implementation of this new non-linear Fokker–Planck–Landau operator in the gyrokinetic particle-in-cell codes XGC1 and XGCa is described and results of a verification study are discussed. Finally, the numerical techniques that make our non-linear collision operator viable onmore » high-performance computing systems are described, including specialized load balancing algorithms and nested OpenMP parallelization. The collision operator's good weak and strong scaling behavior are shown.« less

A fully non-linear multi-species Fokker–Planck–Landau collision operator for simulation of fusion plasma

DOE PAGES

Hager, Robert; Yoon, E. S.; Ku, S.; ...

2016-04-04

Fusion edge plasmas can be far from thermal equilibrium and require the use of a non-linear collision operator for accurate numerical simulations. The non-linear single-species Fokker–Planck–Landau collision operator developed by Yoon and Chang (2014) [9] is generalized to include multiple particle species. Moreover, the finite volume discretization used in this work naturally yields exact conservation of mass, momentum, and energy. The implementation of this new non-linear Fokker–Planck–Landau operator in the gyrokinetic particle-in-cell codes XGC1 and XGCa is described and results of a verification study are discussed. Finally, the numerical techniques that make our non-linear collision operator viable on high-performance computingmore » systems are described, including specialized load balancing algorithms and nested OpenMP parallelization. As a result, the collision operator's good weak and strong scaling behavior are shown.« less

A new technique for simulating composite material

NASA Technical Reports Server (NTRS)

Volakis, John L.

1991-01-01

This project dealt with the development on new methodologies and algorithms for the multi-spectrum electromagnetic characterization of large scale nonmetallic airborne vehicles and structures. A robust, low memory, and accurate methodology was developed which is particularly suited for modern machine architectures. This is a hybrid finite element method that combines two well known numerical solution approaches. That of the finite element method for modeling volumes and the boundary integral method which yields exact boundary conditions for terminating the finite element mesh. In addition, a variety of high frequency results were generated (such as diffraction coefficients for impedance surfaces and material layers) and a class of boundary conditions were developed which hold promise for more efficient simulations. During the course of this project, nearly 25 detailed research reports were generated along with an equal number of journal papers. The reports, papers, and journal articles are listed in the appendices along with their abstracts.

Statistical Evaluation of CRM-Simulated Cloud and Precipitation Structures Using Multi- sensor TRMM Measurements and Retrievals

NASA Astrophysics Data System (ADS)

Posselt, D.; L'Ecuyer, T.; Matsui, T.

2009-05-01

Cloud resolving models are typically used to examine the characteristics of clouds and precipitation and their relationship to radiation and the large-scale circulation. As such, they are not required to reproduce the exact location of each observed convective system, much less each individual cloud. Some of the most relevant information about clouds and precipitation is provided by instruments located on polar-orbiting satellite platforms, but these observations are intermittent "snapshots" in time, making assessment of model performance challenging. In contrast to direct comparison, model results can be evaluated statistically. This avoids the requirement for the model to reproduce the observed systems, while returning valuable information on the performance of the model in a climate-relevant sense. The focus of this talk is a model evaluation study, in which updates to the microphysics scheme used in a three-dimensional version of the Goddard Cumulus Ensemble (GCE) model are evaluated using statistics of observed clouds, precipitation, and radiation. We present the results of multiday (non-equilibrium) simulations of organized deep convection using single- and double-moment versions of a the model's cloud microphysical scheme. Statistics of TRMM multi-sensor derived clouds, precipitation, and radiative fluxes are used to evaluate the GCE results, as are simulated TRMM measurements obtained using a sophisticated instrument simulator suite. We present advantages and disadvantages of performing model comparisons in retrieval and measurement space and conclude by motivating the use of data assimilation techniques for analyzing and improving model parameterizations.

Detecting Multi-scale Structures in Chandra Images of Centaurus A

NASA Astrophysics Data System (ADS)

Karovska, M.; Fabbiano, G.; Elvis, M. S.; Evans, I. N.; Kim, D. W.; Prestwich, A. H.; Schwartz, D. A.; Murray, S. S.; Forman, W.; Jones, C.; Kraft, R. P.; Isobe, T.; Cui, W.; Schreier, E. J.

1999-12-01

Centaurus A (NGC 5128) is a giant early-type galaxy with a merger history, containing the nearest radio-bright AGN. Recent Chandra High Resolution Camera (HRC) observations of Cen A reveal X-ray multi-scale structures in this object with unprecedented detail and clarity. We show the results of an analysis of the Chandra data with smoothing and edge enhancement techniques that allow us to enhance and quantify the multi-scale structures present in the HRC images. These techniques include an adaptive smoothing algorithm (Ebeling et al 1999), and a multi-directional gradient detection algorithm (Karovska et al 1994). The Ebeling et al adaptive smoothing algorithm, which is incorporated in the CXC analysis s/w package, is a powerful tool for smoothing images containing complex structures at various spatial scales. The adaptively smoothed images of Centaurus A show simultaneously the high-angular resolution bright structures at scales as small as an arcsecond and the extended faint structures as large as several arc minutes. The large scale structures suggest complex symmetry, including a component possibly associated with the inner radio lobes (as suggested by the ROSAT HRI data, Dobereiner et al 1996), and a separate component with an orthogonal symmetry that may be associated with the galaxy as a whole. The dust lane and the x-ray ridges are very clearly visible. The adaptively smoothed images and the edge-enhanced images also suggest several filamentary features including a large filament-like structure extending as far as about 5 arcminutes to North-West.

Scalability of surrogate-assisted multi-objective optimization of antenna structures exploiting variable-fidelity electromagnetic simulation models

NASA Astrophysics Data System (ADS)

Koziel, Slawomir; Bekasiewicz, Adrian

2016-10-01

Multi-objective optimization of antenna structures is a challenging task owing to the high computational cost of evaluating the design objectives as well as the large number of adjustable parameters. Design speed-up can be achieved by means of surrogate-based optimization techniques. In particular, a combination of variable-fidelity electromagnetic (EM) simulations, design space reduction techniques, response surface approximation models and design refinement methods permits identification of the Pareto-optimal set of designs within a reasonable timeframe. Here, a study concerning the scalability of surrogate-assisted multi-objective antenna design is carried out based on a set of benchmark problems, with the dimensionality of the design space ranging from six to 24 and a CPU cost of the EM antenna model from 10 to 20 min per simulation. Numerical results indicate that the computational overhead of the design process increases more or less quadratically with the number of adjustable geometric parameters of the antenna structure at hand, which is a promising result from the point of view of handling even more complex problems.

Multi-scale evaporator architectures for geothermal binary power plants

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

Sabau, Adrian S; Nejad, Ali; Klett, James William

2016-01-01

In this paper, novel geometries of heat exchanger architectures are proposed for evaporators that are used in Organic Rankine Cycles. A multi-scale heat exchanger concept was developed by employing successive plenums at several length-scale levels. Flow passages contain features at both macro-scale and micro-scale, which are designed from Constructal Theory principles. Aside from pumping power and overall thermal resistance, several factors were considered in order to fully assess the performance of the new heat exchangers, such as weight of metal structures, surface area per unit volume, and total footprint. Component simulations based on laminar flow correlations for supercritical R134a weremore » used to obtain performance indicators.« less

Multi-scale Modeling in Clinical Oncology: Opportunities and Barriers to Success.

PubMed

Yankeelov, Thomas E; An, Gary; Saut, Oliver; Luebeck, E Georg; Popel, Aleksander S; Ribba, Benjamin; Vicini, Paolo; Zhou, Xiaobo; Weis, Jared A; Ye, Kaiming; Genin, Guy M

2016-09-01

Hierarchical processes spanning several orders of magnitude of both space and time underlie nearly all cancers. Multi-scale statistical, mathematical, and computational modeling methods are central to designing, implementing and assessing treatment strategies that account for these hierarchies. The basic science underlying these modeling efforts is maturing into a new discipline that is close to influencing and facilitating clinical successes. The purpose of this review is to capture the state-of-the-art as well as the key barriers to success for multi-scale modeling in clinical oncology. We begin with a summary of the long-envisioned promise of multi-scale modeling in clinical oncology, including the synthesis of disparate data types into models that reveal underlying mechanisms and allow for experimental testing of hypotheses. We then evaluate the mathematical techniques employed most widely and present several examples illustrating their application as well as the current gap between pre-clinical and clinical applications. We conclude with a discussion of what we view to be the key challenges and opportunities for multi-scale modeling in clinical oncology.

Multi-scale Modeling in Clinical Oncology: Opportunities and Barriers to Success

PubMed Central

Yankeelov, Thomas E.; An, Gary; Saut, Oliver; Luebeck, E. Georg; Popel, Aleksander S.; Ribba, Benjamin; Vicini, Paolo; Zhou, Xiaobo; Weis, Jared A.; Ye, Kaiming; Genin, Guy M.

2016-01-01

Hierarchical processes spanning several orders of magnitude of both space and time underlie nearly all cancers. Multi-scale statistical, mathematical, and computational modeling methods are central to designing, implementing and assessing treatment strategies that account for these hierarchies. The basic science underlying these modeling efforts is maturing into a new discipline that is close to influencing and facilitating clinical successes. The purpose of this review is to capture the state-of-the-art as well as the key barriers to success for multi-scale modeling in clinical oncology. We begin with a summary of the long-envisioned promise of multi-scale modeling in clinical oncology, including the synthesis of disparate data types into models that reveal underlying mechanisms and allow for experimental testing of hypotheses. We then evaluate the mathematical techniques employed most widely and present several examples illustrating their application as well as the current gap between pre-clinical and clinical applications. We conclude with a discussion of what we view to be the key challenges and opportunities for multi-scale modeling in clinical oncology. PMID:27384942

Contention Modeling for Multithreaded Distributed Shared Memory Machines: The Cray XMT

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

Secchi, Simone; Tumeo, Antonino; Villa, Oreste

Distributed Shared Memory (DSM) machines are a wide class of multi-processor computing systems where a large virtually-shared address space is mapped on a network of physically distributed memories. High memory latency and network contention are two of the main factors that limit performance scaling of such architectures. Modern high-performance computing DSM systems have evolved toward exploitation of massive hardware multi-threading and fine-grained memory hashing to tolerate irregular latencies, avoid network hot-spots and enable high scaling. In order to model the performance of such large-scale machines, parallel simulation has been proved to be a promising approach to achieve good accuracy inmore » reasonable times. One of the most critical factors in solving the simulation speed-accuracy trade-off is network modeling. The Cray XMT is a massively multi-threaded supercomputing architecture that belongs to the DSM class, since it implements a globally-shared address space abstraction on top of a physically distributed memory substrate. In this paper, we discuss the development of a contention-aware network model intended to be integrated in a full-system XMT simulator. We start by measuring the effects of network contention in a 128-processor XMT machine and then investigate the trade-off that exists between simulation accuracy and speed, by comparing three network models which operate at different levels of accuracy. The comparison and model validation is performed by executing a string-matching algorithm on the full-system simulator and on the XMT, using three datasets that generate noticeably different contention patterns.« less

Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST

NASA Astrophysics Data System (ADS)

Zhu, You-Liang; Pan, Deng; Li, Zhan-Wei; Liu, Hong; Qian, Hu-Jun; Zhao, Yang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2018-04-01

We describe the algorithm of employing multi-GPU power on the basis of Message Passing Interface (MPI) domain decomposition in a molecular dynamics code, GALAMOST, which is designed for the coarse-grained simulation of soft matters. The code of multi-GPU version is developed based on our previous single-GPU version. In multi-GPU runs, one GPU takes charge of one domain and runs single-GPU code path. The communication between neighbouring domains takes a similar algorithm of CPU-based code of LAMMPS, but is optimised specifically for GPUs. We employ a memory-saving design which can enlarge maximum system size at the same device condition. An optimisation algorithm is employed to prolong the update period of neighbour list. We demonstrate good performance of multi-GPU runs on the simulation of Lennard-Jones liquid, dissipative particle dynamics liquid, polymer and nanoparticle composite, and two-patch particles on workstation. A good scaling of many nodes on cluster for two-patch particles is presented.

Towards Data-Driven Simulations of Wildfire Spread using Ensemble-based Data Assimilation

NASA Astrophysics Data System (ADS)

Rochoux, M. C.; Bart, J.; Ricci, S. M.; Cuenot, B.; Trouvé, A.; Duchaine, F.; Morel, T.

2012-12-01

Real-time predictions of a propagating wildfire remain a challenging task because the problem involves both multi-physics and multi-scales. The propagation speed of wildfires, also called the rate of spread (ROS), is indeed determined by complex interactions between pyrolysis, combustion and flow dynamics, atmospheric dynamics occurring at vegetation, topographical and meteorological scales. Current operational fire spread models are mainly based on a semi-empirical parameterization of the ROS in terms of vegetation, topographical and meteorological properties. For the fire spread simulation to be predictive and compatible with operational applications, the uncertainty on the ROS model should be reduced. As recent progress made in remote sensing technology provides new ways to monitor the fire front position, a promising approach to overcome the difficulties found in wildfire spread simulations is to integrate fire modeling and fire sensing technologies using data assimilation (DA). For this purpose we have developed a prototype data-driven wildfire spread simulator in order to provide optimal estimates of poorly known model parameters [*]. The data-driven simulation capability is adapted for more realistic wildfire spread : it considers a regional-scale fire spread model that is informed by observations of the fire front location. An Ensemble Kalman Filter algorithm (EnKF) based on a parallel computing platform (OpenPALM) was implemented in order to perform a multi-parameter sequential estimation where wind magnitude and direction are in addition to vegetation properties (see attached figure). The EnKF algorithm shows its good ability to track a small-scale grassland fire experiment and ensures a good accounting for the sensitivity of the simulation outcomes to the control parameters. As a conclusion, it was shown that data assimilation is a promising approach to more accurately forecast time-varying wildfire spread conditions as new airborne-like observations of the fire front location get available. [*] Rochoux, M.C., Delmotte, B., Cuenot, B., Ricci, S., and Trouvé, A. (2012) "Regional-scale simulations of wildland fire spread informed by real-time flame front observations", Proc. Combust. Inst., 34, in press http://dx.doi.org/10.1016/j.proci.2012.06.090 EnKF-based tracking of small-scale grassland fire experiment, with estimation of wind and fuel parameters.

Multi-time scale Climate Informed Stochastic Hybrid Simulation-Optimization Model (McISH model) for Multi-Purpose Reservoir System

NASA Astrophysics Data System (ADS)

Lu, M.; Lall, U.

2013-12-01

In order to mitigate the impacts of climate change, proactive management strategies to operate reservoirs and dams are needed. A multi-time scale climate informed stochastic model is developed to optimize the operations for a multi-purpose single reservoir by simulating decadal, interannual, seasonal and sub-seasonal variability. We apply the model to a setting motivated by the largest multi-purpose dam in N. India, the Bhakhra reservoir on the Sutlej River, a tributary of the Indus. This leads to a focus on timing and amplitude of the flows for the monsoon and snowmelt periods. The flow simulations are constrained by multiple sources of historical data and GCM future projections, that are being developed through a NSF funded project titled 'Decadal Prediction and Stochastic Simulation of Hydroclimate Over Monsoon Asia'. The model presented is a multilevel, nonlinear programming model that aims to optimize the reservoir operating policy on a decadal horizon and the operation strategy on an updated annual basis. The model is hierarchical, in terms of having a structure that two optimization models designated for different time scales are nested as a matryoshka doll. The two optimization models have similar mathematical formulations with some modifications to meet the constraints within that time frame. The first level of the model is designated to provide optimization solution for policy makers to determine contracted annual releases to different uses with a prescribed reliability; the second level is a within-the-period (e.g., year) operation optimization scheme that allocates the contracted annual releases on a subperiod (e.g. monthly) basis, with additional benefit for extra release and penalty for failure. The model maximizes the net benefit of irrigation, hydropower generation and flood control in each of the periods. The model design thus facilitates the consistent application of weather and climate forecasts to improve operations of reservoir systems. The decadal flow simulations are re-initialized every year with updated climate projections to improve the reliability of the operation rules for the next year, within which the seasonal operation strategies are nested. The multi-level structure can be repeated for monthly operation with weekly subperiods to take advantage of evolving weather forecasts and seasonal climate forecasts. As a result of the hierarchical structure, sub-seasonal even weather time scale updates and adjustment can be achieved. Given an ensemble of these scenarios, the McISH reservoir simulation-optimization model is able to derive the desired reservoir storage levels, including minimum and maximum, as a function of calendar date, and the associated release patterns. The multi-time scale approach allows adaptive management of water supplies acknowledging the changing risks, meeting both the objectives over the decade in expected value and controlling the near term and planning period risk through probabilistic reliability constraints. For the applications presented, the target season is the monsoon season from June to September. The model also includes a monthly flood volume forecast model, based on a Copula density fit to the monthly flow and the flood volume flow. This is used to guide dynamic allocation of the flood control volume given the forecasts.

Multi-scale Modeling and Analysis of Nano-RFID Systems on HPC Setup

NASA Astrophysics Data System (ADS)

Pathak, Rohit; Joshi, Satyadhar

In this paper we have worked out on some the complex modeling aspects such as Multi Scale modeling, MATLAB Sugar based modeling and have shown the complexities involved in the analysis of Nano RFID (Radio Frequency Identification) systems. We have shown the modeling and simulation and demonstrated some novel ideas and library development for Nano RFID. Multi scale modeling plays a very important role in nanotech enabled devices properties of which cannot be explained sometimes by abstraction level theories. Reliability and packaging still remains one the major hindrances in practical implementation of Nano RFID based devices. And to work on them modeling and simulation will play a very important role. CNTs is the future low power material that will replace CMOS and its integration with CMOS, MEMS circuitry will play an important role in realizing the true power in Nano RFID systems. RFID based on innovations in nanotechnology has been shown. MEMS modeling of Antenna, sensors and its integration in the circuitry has been shown. Thus incorporating this we can design a Nano-RFID which can be used in areas like human implantation and complex banking applications. We have proposed modeling of RFID using the concept of multi scale modeling to accurately predict its properties. Also we give the modeling of MEMS devices that are proposed recently that can see possible application in RFID. We have also covered the applications and the advantages of Nano RFID in various areas. RF MEMS has been matured and its devices are being successfully commercialized but taking it to limits of nano domains and integration with singly chip RFID needs a novel approach which is being proposed. We have modeled MEMS based transponder and shown the distribution for multi scale modeling for Nano RFID.

Chondrocyte Deformations as a Function of Tibiofemoral Joint Loading Predicted by a Generalized High-Throughput Pipeline of Multi-Scale Simulations

PubMed Central

Sibole, Scott C.; Erdemir, Ahmet

2012-01-01

Cells of the musculoskeletal system are known to respond to mechanical loading and chondrocytes within the cartilage are not an exception. However, understanding how joint level loads relate to cell level deformations, e.g. in the cartilage, is not a straightforward task. In this study, a multi-scale analysis pipeline was implemented to post-process the results of a macro-scale finite element (FE) tibiofemoral joint model to provide joint mechanics based displacement boundary conditions to micro-scale cellular FE models of the cartilage, for the purpose of characterizing chondrocyte deformations in relation to tibiofemoral joint loading. It was possible to identify the load distribution within the knee among its tissue structures and ultimately within the cartilage among its extracellular matrix, pericellular environment and resident chondrocytes. Various cellular deformation metrics (aspect ratio change, volumetric strain, cellular effective strain and maximum shear strain) were calculated. To illustrate further utility of this multi-scale modeling pipeline, two micro-scale cartilage constructs were considered: an idealized single cell at the centroid of a 100×100×100 μm block commonly used in past research studies, and an anatomically based (11 cell model of the same volume) representation of the middle zone of tibiofemoral cartilage. In both cases, chondrocytes experienced amplified deformations compared to those at the macro-scale, predicted by simulating one body weight compressive loading on the tibiofemoral joint. In the 11 cell case, all cells experienced less deformation than the single cell case, and also exhibited a larger variance in deformation compared to other cells residing in the same block. The coupling method proved to be highly scalable due to micro-scale model independence that allowed for exploitation of distributed memory computing architecture. The method’s generalized nature also allows for substitution of any macro-scale and/or micro-scale model providing application for other multi-scale continuum mechanics problems. PMID:22649535

Sparsity-aware multiple relay selection in large multi-hop decode-and-forward relay networks

NASA Astrophysics Data System (ADS)

Gouissem, A.; Hamila, R.; Al-Dhahir, N.; Foufou, S.

2016-12-01

In this paper, we propose and investigate two novel techniques to perform multiple relay selection in large multi-hop decode-and-forward relay networks. The two proposed techniques exploit sparse signal recovery theory to select multiple relays using the orthogonal matching pursuit algorithm and outperform state-of-the-art techniques in terms of outage probability and computation complexity. To reduce the amount of collected channel state information (CSI), we propose a limited-feedback scheme where only a limited number of relays feedback their CSI. Furthermore, a detailed performance-complexity tradeoff investigation is conducted for the different studied techniques and verified by Monte Carlo simulations.

Using CellML with OpenCMISS to Simulate Multi-Scale Physiology

PubMed Central

Nickerson, David P.; Ladd, David; Hussan, Jagir R.; Safaei, Soroush; Suresh, Vinod; Hunter, Peter J.; Bradley, Christopher P.

2014-01-01

OpenCMISS is an open-source modeling environment aimed, in particular, at the solution of bioengineering problems. OpenCMISS consists of two main parts: a computational library (OpenCMISS-Iron) and a field manipulation and visualization library (OpenCMISS-Zinc). OpenCMISS is designed for the solution of coupled multi-scale, multi-physics problems in a general-purpose parallel environment. CellML is an XML format designed to encode biophysically based systems of ordinary differential equations and both linear and non-linear algebraic equations. A primary design goal of CellML is to allow mathematical models to be encoded in a modular and reusable format to aid reproducibility and interoperability of modeling studies. In OpenCMISS, we make use of CellML models to enable users to configure various aspects of their multi-scale physiological models. This avoids the need for users to be familiar with the OpenCMISS internal code in order to perform customized computational experiments. Examples of this are: cellular electrophysiology models embedded in tissue electrical propagation models; material constitutive relationships for mechanical growth and deformation simulations; time-varying boundary conditions for various problem domains; and fluid constitutive relationships and lumped-parameter models. In this paper, we provide implementation details describing how CellML models are integrated into multi-scale physiological models in OpenCMISS. The external interface OpenCMISS presents to users is also described, including specific examples exemplifying the extensibility and usability these tools provide the physiological modeling and simulation community. We conclude with some thoughts on future extension of OpenCMISS to make use of other community developed information standards, such as FieldML, SED-ML, and BioSignalML. Plans for the integration of accelerator code (graphical processing unit and field programmable gate array) generated from CellML models is also discussed. PMID:25601911

The key technique study of a kind of personal navigation oriented LBS system

NASA Astrophysics Data System (ADS)

Yan, Lei; Zheng, Jianghua; Zhang, Xin; Peng, Chunhua; He, Lina

2005-11-01

With the integration of GIS, IT technology and wireless communication techniques, LBS is fast developing and caused wide concern. Personal navigation is the critical application of LBS. It has higher requirement of data quality, positioning accuracy and multi-model services. The study discusses the key techniques of a personal navigation oriented LBS system. As an example for service platform of China Unicom, NAVISTAR especially emphasizes the importance of spatial data organization. Based-on CDMA1X network, it adopts gpsOne\\MS-Assisted dynamic positioning technique, and puts forward a data organization solution to realize multi-scale representation.

A new multi-angle remote sensing framework for scaling vegetation properties from tower-based spectro-radiometers to next generation "CubeSat"-satellites.

NASA Astrophysics Data System (ADS)

Hilker, T.; Hall, F. G.; Dyrud, L. P.; Slagowski, S.

2014-12-01

Frequent earth observations are essential for assessing the risks involved with global climate change, its feedbacks on carbon, energy and water cycling and consequences for live on earth. Often, satellite-remote sensing is the only practical way to provide such observations at comprehensive spatial scales, but relationships between land surface parameters and remotely sensed observations are mostly empirical and cannot easily be scaled across larger areas or over longer time intervals. For instance, optically based methods frequently depend on extraneous effects that are unrelated to the surface property of interest, including the sun-server geometry or background reflectance. As an alternative to traditional, mono-angle techniques, multi-angle remote sensing can help overcome some of these limitations by allowing vegetation properties to be derived from comprehensive reflectance models that describe changes in surface parameters based on physical principles and radiative transfer theory. Recent results have shown in theoretical and experimental research that multi-angle techniques can be used to infer and scale the photosynthetic rate of vegetation, its biochemical and structural composition robustly from remote sensing. Multi-angle remote sensing could therefore revolutionize estimates of the terrestrial carbon uptake as scaling of primary productivity may provide a quantum leap in understanding the spatial and temporal complexity of terrestrial earth science. Here, we introduce a framework of next generation tower-based instruments to a novel and unique constellation of nano-satellites (Figure 1) that will allow us to systematically scale vegetation parameters from stand to global levels. We provide technical insights, scientific rationale and present results. We conclude that future earth observation from multi-angle satellite constellations, supported by tower based remote sensing will open new opportunities for earth system science and earth system modeling.

Assessing the weighted multi-objective adaptive surrogate model optimization to derive large-scale reservoir operating rules with sensitivity analysis

NASA Astrophysics Data System (ADS)

Zhang, Jingwen; Wang, Xu; Liu, Pan; Lei, Xiaohui; Li, Zejun; Gong, Wei; Duan, Qingyun; Wang, Hao

2017-01-01

The optimization of large-scale reservoir system is time-consuming due to its intrinsic characteristics of non-commensurable objectives and high dimensionality. One way to solve the problem is to employ an efficient multi-objective optimization algorithm in the derivation of large-scale reservoir operating rules. In this study, the Weighted Multi-Objective Adaptive Surrogate Model Optimization (WMO-ASMO) algorithm is used. It consists of three steps: (1) simplifying the large-scale reservoir operating rules by the aggregation-decomposition model, (2) identifying the most sensitive parameters through multivariate adaptive regression splines (MARS) for dimensional reduction, and (3) reducing computational cost and speeding the searching process by WMO-ASMO, embedded with weighted non-dominated sorting genetic algorithm II (WNSGAII). The intercomparison of non-dominated sorting genetic algorithm (NSGAII), WNSGAII and WMO-ASMO are conducted in the large-scale reservoir system of Xijiang river basin in China. Results indicate that: (1) WNSGAII surpasses NSGAII in the median of annual power generation, increased by 1.03% (from 523.29 to 528.67 billion kW h), and the median of ecological index, optimized by 3.87% (from 1.879 to 1.809) with 500 simulations, because of the weighted crowding distance and (2) WMO-ASMO outperforms NSGAII and WNSGAII in terms of better solutions (annual power generation (530.032 billion kW h) and ecological index (1.675)) with 1000 simulations and computational time reduced by 25% (from 10 h to 8 h) with 500 simulations. Therefore, the proposed method is proved to be more efficient and could provide better Pareto frontier.

Marine Vehicle Sensor Network Architecture and Protocol Designs for Ocean Observation

PubMed Central

Zhang, Shaowei; Yu, Jiancheng; Zhang, Aiqun; Yang, Lei; Shu, Yeqiang

2012-01-01

The micro-scale and meso-scale ocean dynamic processes which are nonlinear and have large variability, have a significant impact on the fisheries, natural resources, and marine climatology. A rapid, refined and sophisticated observation system is therefore needed in marine scientific research. The maneuverability and controllability of mobile sensor platforms make them a preferred choice to establish ocean observing networks, compared to the static sensor observing platform. In this study, marine vehicles are utilized as the nodes of mobile sensor networks for coverage sampling of a regional ocean area and ocean feature tracking. A synoptic analysis about marine vehicle dynamic control, multi vehicles mission assignment and path planning methods, and ocean feature tracking and observing techniques is given. Combined with the observation plan in the South China Sea, we provide an overview of the mobile sensor networks established with marine vehicles, and the corresponding simulation results. PMID:22368475

Understanding climate: A strategy for climate modeling and predictability research, 1985-1995

NASA Technical Reports Server (NTRS)

Thiele, O. (Editor); Schiffer, R. A. (Editor)

1985-01-01

The emphasis of the NASA strategy for climate modeling and predictability research is on the utilization of space technology to understand the processes which control the Earth's climate system and it's sensitivity to natural and man-induced changes and to assess the possibilities for climate prediction on time scales of from about two weeks to several decades. Because the climate is a complex multi-phenomena system, which interacts on a wide range of space and time scales, the diversity of scientific problems addressed requires a hierarchy of models along with the application of modern empirical and statistical techniques which exploit the extensive current and potential future global data sets afforded by space observations. Observing system simulation experiments, exploiting these models and data, will also provide the foundation for the future climate space observing system, e.g., Earth observing system (EOS), 1985; Tropical Rainfall Measuring Mission (TRMM) North, et al. NASA, 1984.

Atomic scale modelling of hexagonal structured metallic fission product alloys

PubMed Central

Middleburgh, S. C.; King, D. M.; Lumpkin, G. R.

2015-01-01

Noble metal particles in the Mo-Pd-Rh-Ru-Tc system have been simulated on the atomic scale using density functional theory techniques for the first time. The composition and behaviour of the epsilon phases are consistent with high-entropy alloys (or multi-principal component alloys)—making the epsilon phase the only hexagonally close packed high-entropy alloy currently described. Configurational entropy effects were considered to predict the stability of the alloys with increasing temperatures. The variation of Mo content was modelled to understand the change in alloy structure and behaviour with fuel burnup (Mo molar content decreases in these alloys as burnup increases). The predicted structures compare extremely well with experimentally ascertained values. Vacancy formation energies and the behaviour of extrinsic defects (including iodine and xenon) in the epsilon phase were also investigated to further understand the impact that the metallic precipitates have on fuel performance. PMID:26064629

Cross-Scale Modelling of Subduction from Minute to Million of Years Time Scale

NASA Astrophysics Data System (ADS)

Sobolev, S. V.; Muldashev, I. A.

2015-12-01

Subduction is an essentially multi-scale process with time-scales spanning from geological to earthquake scale with the seismic cycle in-between. Modelling of such process constitutes one of the largest challenges in geodynamic modelling today.Here we present a cross-scale thermomechanical model capable of simulating the entire subduction process from rupture (1 min) to geological time (millions of years) that employs elasticity, mineral-physics-constrained non-linear transient viscous rheology and rate-and-state friction plasticity. The model generates spontaneous earthquake sequences. The adaptive time-step algorithm recognizes moment of instability and drops the integration time step to its minimum value of 40 sec during the earthquake. The time step is then gradually increased to its maximal value of 5 yr, following decreasing displacement rates during the postseismic relaxation. Efficient implementation of numerical techniques allows long-term simulations with total time of millions of years. This technique allows to follow in details deformation process during the entire seismic cycle and multiple seismic cycles. We observe various deformation patterns during modelled seismic cycle that are consistent with surface GPS observations and demonstrate that, contrary to the conventional ideas, the postseismic deformation may be controlled by viscoelastic relaxation in the mantle wedge, starting within only a few hours after the great (M>9) earthquakes. Interestingly, in our model an average slip velocity at the fault closely follows hyperbolic decay law. In natural observations, such deformation is interpreted as an afterslip, while in our model it is caused by the viscoelastic relaxation of mantle wedge with viscosity strongly varying with time. We demonstrate that our results are consistent with the postseismic surface displacement after the Great Tohoku Earthquake for the day-to-year time range. We will also present results of the modeling of deformation of the upper plate during multiple earthquake cycles at times of hundred thousand and million years and discuss effect of great earthquakes in changing long-term stress field in the upper plate.

Multi-material classification of dry recyclables from municipal solid waste based on thermal imaging.

PubMed

Gundupalli, Sathish Paulraj; Hait, Subrata; Thakur, Atul

2017-12-01

There has been a significant rise in municipal solid waste (MSW) generation in the last few decades due to rapid urbanization and industrialization. Due to the lack of source segregation practice, a need for automated segregation of recyclables from MSW exists in the developing countries. This paper reports a thermal imaging based system for classifying useful recyclables from simulated MSW sample. Experimental results have demonstrated the possibility to use thermal imaging technique for classification and a robotic system for sorting of recyclables in a single process step. The reported classification system yields an accuracy in the range of 85-96% and is comparable with the existing single-material recyclable classification techniques. We believe that the reported thermal imaging based system can emerge as a viable and inexpensive large-scale classification-cum-sorting technology in recycling plants for processing MSW in developing countries. Copyright © 2017 Elsevier Ltd. All rights reserved.

Autoregressive statistical pattern recognition algorithms for damage detection in civil structures

NASA Astrophysics Data System (ADS)

Yao, Ruigen; Pakzad, Shamim N.

2012-08-01

Statistical pattern recognition has recently emerged as a promising set of complementary methods to system identification for automatic structural damage assessment. Its essence is to use well-known concepts in statistics for boundary definition of different pattern classes, such as those for damaged and undamaged structures. In this paper, several statistical pattern recognition algorithms using autoregressive models, including statistical control charts and hypothesis testing, are reviewed as potentially competitive damage detection techniques. To enhance the performance of statistical methods, new feature extraction techniques using model spectra and residual autocorrelation, together with resampling-based threshold construction methods, are proposed. Subsequently, simulated acceleration data from a multi degree-of-freedom system is generated to test and compare the efficiency of the existing and proposed algorithms. Data from laboratory experiments conducted on a truss and a large-scale bridge slab model are then used to further validate the damage detection methods and demonstrate the superior performance of proposed algorithms.

Nanoscale deformation and friction characteristics of atomically thin WSe2 and heterostructure using nanoscratch and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Manimunda, P.; Nakanishi, Y.; Jaques, Y. M.; Susarla, S.; Woellner, C. F.; Bhowmick, S.; Asif, S. A. S.; Galvão, D. S.; Tiwary, C. S.; Ajayan, P. M.

2017-12-01

2D transition metals di-selenides are attracting a lot of attention due to their interesting optical, chemical and electronics properties. Here, the deformation characteristics of monolayer, multi- layer WSe2 and its heterostructure with MoSe2 were investigated using a new technique that combines nanoscratch and Raman spectroscopy. The 2D monolayer WSe2 showed anisotropy in deformation. Effect of number of WSe2 layers on friction characteristics were explored in detail. Experimental observations were further supported by MD simulations. Raman spectra recorded from the scratched regions showed strain induced degeneracy splitting. Further nano-scale scratch tests were extended to MoSe2-WSe2 lateral heterostructures. Effect of deformation on lateral hetero junctions were further analysed using PL and Raman spectroscopy. This new technique is completely general and can be applied to study other 2D materials.

Process cost and facility considerations in the selection of primary cell culture clarification technology.

PubMed

Felo, Michael; Christensen, Brandon; Higgins, John

2013-01-01

The bioreactor volume delineating the selection of primary clarification technology is not always easily defined. Development of a commercial scale process for the manufacture of therapeutic proteins requires scale-up from a few liters to thousands of liters. While the separation techniques used for protein purification are largely conserved across scales, the separation techniques for primary cell culture clarification vary with scale. Process models were developed to compare monoclonal antibody production costs using two cell culture clarification technologies. One process model was created for cell culture clarification by disc stack centrifugation with depth filtration. A second process model was created for clarification by multi-stage depth filtration. Analyses were performed to examine the influence of bioreactor volume, product titer, depth filter capacity, and facility utilization on overall operating costs. At bioreactor volumes <1,000 L, clarification using multi-stage depth filtration offers cost savings compared to clarification using centrifugation. For bioreactor volumes >5,000 L, clarification using centrifugation followed by depth filtration offers significant cost savings. For bioreactor volumes of ∼ 2,000 L, clarification costs are similar between depth filtration and centrifugation. At this scale, factors including facility utilization, available capital, ease of process development, implementation timelines, and process performance characterization play an important role in clarification technology selection. In the case study presented, a multi-product facility selected multi-stage depth filtration for cell culture clarification at the 500 and 2,000 L scales of operation. Facility implementation timelines, process development activities, equipment commissioning and validation, scale-up effects, and process robustness are examined. © 2013 American Institute of Chemical Engineers.

Statistic inversion of multi-zone transition probability models for aquifer characterization in alluvial fans

DOE PAGES

Zhu, Lin; Dai, Zhenxue; Gong, Huili; ...

2015-06-12

Understanding the heterogeneity arising from the complex architecture of sedimentary sequences in alluvial fans is challenging. This study develops a statistical inverse framework in a multi-zone transition probability approach for characterizing the heterogeneity in alluvial fans. An analytical solution of the transition probability matrix is used to define the statistical relationships among different hydrofacies and their mean lengths, integral scales, and volumetric proportions. A statistical inversion is conducted to identify the multi-zone transition probability models and estimate the optimal statistical parameters using the modified Gauss–Newton–Levenberg–Marquardt method. The Jacobian matrix is computed by the sensitivity equation method, which results in anmore » accurate inverse solution with quantification of parameter uncertainty. We use the Chaobai River alluvial fan in the Beijing Plain, China, as an example for elucidating the methodology of alluvial fan characterization. The alluvial fan is divided into three sediment zones. In each zone, the explicit mathematical formulations of the transition probability models are constructed with optimized different integral scales and volumetric proportions. The hydrofacies distributions in the three zones are simulated sequentially by the multi-zone transition probability-based indicator simulations. Finally, the result of this study provides the heterogeneous structure of the alluvial fan for further study of flow and transport simulations.« less

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

Sakaguchi, Koichi; Leung, Lai-Yung R.; Zhao, Chun

This study presents a diagnosis of a multi-resolution approach using the Model for Prediction Across Scales - Atmosphere (MPAS-A) for simulating regional climate. Four AMIP experiments are conducted for 1999-2009. In the first two experiments, MPAS-A is configured using global quasi-uniform grids at 120 km and 30 km grid spacing. In the other two experiments, MPAS-A is configured using variable-resolution (VR) mesh with local refinement at 30 km over North America and South America embedded inside a quasi-uniform domain at 120 km elsewhere. Precipitation and related fields in the four simulations are examined to determine how well the VR simulationsmore » reproduce the features simulated by the globally high-resolution model in the refined domain. In previous analyses of idealized aqua-planet simulations, the characteristics of the global high-resolution simulation in moist processes only developed near the boundary of the refined region. In contrast, the AMIP simulations with VR grids are able to reproduce the high-resolution characteristics across the refined domain, particularly in South America. This indicates the importance of finely resolved lower-boundary forcing such as topography and surface heterogeneity for the regional climate, and demonstrates the ability of the MPAS-A VR to replicate the large-scale moisture transport as simulated in the quasi-uniform high-resolution model. Outside of the refined domain, some upscale effects are detected through large-scale circulation but the overall climatic signals are not significant at regional scales. Our results provide support for the multi-resolution approach as a computationally efficient and physically consistent method for modeling regional climate.« less

Modeling Solar Wind Flow with the Multi-Scale Fluid-Kinetic Simulation Suite

DOE PAGES

Pogorelov, N.V.; Borovikov, S. N.; Bedford, M. C.; ...

2013-04-01

Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) is a package of numerical codes capable of performing adaptive mesh refinement simulations of complex plasma flows in the presence of discontinuities and charge exchange between ions and neutral atoms. The flow of the ionized component is described with the ideal MHD equations, while the transport of atoms is governed either by the Boltzmann equation or multiple Euler gas dynamics equations. We have enhanced the code with additional physical treatments for the transport of turbulence and acceleration of pickup ions in the interplanetary space and at the termination shock. In this article, we present themore » results of our numerical simulation of the solar wind (SW) interaction with the local interstellar medium (LISM) in different time-dependent and stationary formulations. Numerical results are compared with the Ulysses, Voyager, and OMNI observations. Finally, the SW boundary conditions are derived from in-situ spacecraft measurements and remote observations.« less

Multi-scale simulations of droplets in generic time-dependent flows

NASA Astrophysics Data System (ADS)

Milan, Felix; Biferale, Luca; Sbragaglia, Mauro; Toschi, Federico

2017-11-01

We study the deformation and dynamics of droplets in time-dependent flows using a diffuse interface model for two immiscible fluids. The numerical simulations are at first benchmarked against analytical results of steady droplet deformation, and further extended to the more interesting case of time-dependent flows. The results of these time-dependent numerical simulations are compared against analytical models available in the literature, which assume the droplet shape to be an ellipsoid at all times, with time-dependent major and minor axis. In particular we investigate the time-dependent deformation of a confined droplet in an oscillating Couette flow for the entire capillary range until droplet break-up. In this way these multi component simulations prove to be a useful tool to establish from ``first principles'' the dynamics of droplets in complex flows involving multiple scales. European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No 642069. & European Research Council under the European Community's Seventh Framework Program, ERC Grant Agreement No 339032.

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

NASA Technical Reports Server (NTRS)

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

2014-01-01

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

Vibration and acoustic frequency spectra for industrial process modeling using selective fusion multi-condition samples and multi-source features

NASA Astrophysics Data System (ADS)

Tang, Jian; Qiao, Junfei; Wu, ZhiWei; Chai, Tianyou; Zhang, Jian; Yu, Wen

2018-01-01

Frequency spectral data of mechanical vibration and acoustic signals relate to difficult-to-measure production quality and quantity parameters of complex industrial processes. A selective ensemble (SEN) algorithm can be used to build a soft sensor model of these process parameters by fusing valued information selectively from different perspectives. However, a combination of several optimized ensemble sub-models with SEN cannot guarantee the best prediction model. In this study, we use several techniques to construct mechanical vibration and acoustic frequency spectra of a data-driven industrial process parameter model based on selective fusion multi-condition samples and multi-source features. Multi-layer SEN (MLSEN) strategy is used to simulate the domain expert cognitive process. Genetic algorithm and kernel partial least squares are used to construct the inside-layer SEN sub-model based on each mechanical vibration and acoustic frequency spectral feature subset. Branch-and-bound and adaptive weighted fusion algorithms are integrated to select and combine outputs of the inside-layer SEN sub-models. Then, the outside-layer SEN is constructed. Thus, "sub-sampling training examples"-based and "manipulating input features"-based ensemble construction methods are integrated, thereby realizing the selective information fusion process based on multi-condition history samples and multi-source input features. This novel approach is applied to a laboratory-scale ball mill grinding process. A comparison with other methods indicates that the proposed MLSEN approach effectively models mechanical vibration and acoustic signals.

Bayesian multi-scale smoothing of photon-limited images with applications to astronomy and medicine

NASA Astrophysics Data System (ADS)

White, John

Multi-scale models for smoothing Poisson signals or images have gained much attention over the past decade. A new Bayesian model is developed using the concept of the Chinese restaurant process to find structures in two-dimensional images when performing image reconstruction or smoothing. This new model performs very well when compared to other leading methodologies for the same problem. It is developed and evaluated theoretically and empirically throughout Chapter 2. The newly developed Bayesian model is extended to three-dimensional images in Chapter 3. The third dimension has numerous different applications, such as different energy spectra, another spatial index, or possibly a temporal dimension. Empirically, this method shows promise in reducing error with the use of simulation studies. A further development removes background noise in the image. This removal can further reduce the error and is done using a modeling adjustment and post-processing techniques. These details are given in Chapter 4. Applications to real world problems are given throughout. Photon-based images are common in astronomical imaging due to the collection of different types of energy such as X-Rays. Applications to real astronomical images are given, and these consist of X-ray images from the Chandra X-ray observatory satellite. Diagnostic medicine uses many types of imaging such as magnetic resonance imaging and computed tomography that can also benefit from smoothing techniques such as the one developed here. Reducing the amount of radiation a patient takes will make images more noisy, but this can be mitigated through the use of image smoothing techniques. Both types of images represent the potential real world use for these methods.

Investigation of the shape transferability of nanoscale multi-tip diamond tools in the diamond turning of nanostructures

NASA Astrophysics Data System (ADS)

Luo, Xichun; Tong, Zhen; Liang, Yingchun

2014-12-01

In this article, the shape transferability of using nanoscale multi-tip diamond tools in the diamond turning for scale-up manufacturing of nanostructures has been demonstrated. Atomistic multi-tip diamond tool models were built with different tool geometries in terms of the difference in the tip cross-sectional shape, tip angle, and the feature of tool tip configuration, to determine their effect on the applied forces and the machined nano-groove geometries. The quality of machined nanostructures was characterized by the thickness of the deformed layers and the dimensional accuracy achieved. Simulation results show that diamond turning using nanoscale multi-tip tools offers tremendous shape transferability in machining nanostructures. Both periodic and non-periodic nano-grooves with different cross-sectional shapes can be successfully fabricated using the multi-tip tools. A hypothesis of minimum designed ratio of tool tip distance to tip base width (L/Wf) of the nanoscale multi-tip diamond tool for the high precision machining of nanostructures was proposed based on the analytical study of the quality of the nanostructures fabricated using different types of the multi-tip tools. Nanometric cutting trials using nanoscale multi-tip diamond tools (different in L/Wf) fabricated by focused ion beam (FIB) were then conducted to verify the hypothesis. The investigations done in this work imply the potential of using the nanoscale multi-tip diamond tool for the deterministic fabrication of period and non-periodic nanostructures, which opens up the feasibility of using the process as a versatile manufacturing technique in nanotechnology.

Enhancing multi-spot structured illumination microscopy with fluorescence difference

NASA Astrophysics Data System (ADS)

Ward, Edward N.; Torkelsen, Frida H.; Pal, Robert

2018-03-01

Structured illumination microscopy is a super-resolution technique used extensively in biological research. However, this technique is limited in the maximum possible resolution increase. Here we report the results of simulations of a novel enhanced multi-spot structured illumination technique. This method combines the super-resolution technique of difference microscopy with structured illumination deconvolution. Initial results give at minimum a 1.4-fold increase in resolution over conventional structured illumination in a low-noise environment. This new technique also has the potential to be expanded to further enhance axial resolution with three-dimensional difference microscopy. The requirement for precise pattern determination in this technique also led to the development of a new pattern estimation algorithm which proved more efficient and reliable than other methods tested.

Multislice spiral CT simulator for dynamic cardiopulmonary studies

NASA Astrophysics Data System (ADS)

De Francesco, Silvia; Ferreira da Silva, Augusto M.

2002-04-01

We've developed a Multi-slice Spiral CT Simulator modeling the acquisition process of a real tomograph over a 4-dimensional phantom (4D MCAT) of the human thorax. The simulator allows us to visually characterize artifacts due to insufficient temporal sampling and a priori evaluate the quality of the images obtained in cardio-pulmonary studies (both with single-/multi-slice and ECG gated acquisition processes). The simulating environment allows both for conventional and spiral scanning modes and includes a model of noise in the acquisition process. In case of spiral scanning, reconstruction facilities include longitudinal interpolation methods (360LI and 180LI both for single and multi-slice). Then, the reconstruction of the section is performed through FBP. The reconstructed images/volumes are affected by distortion due to insufficient temporal sampling of the moving object. The developed simulating environment allows us to investigate the nature of the distortion characterizing it qualitatively and quantitatively (using, for example, Herman's measures). Much of our work is focused on the determination of adequate temporal sampling and sinogram regularization techniques. At the moment, the simulator model is limited to the case of multi-slice tomograph, being planned as a next step of development the extension to cone beam or area detectors.

Scale-invariance underlying the logistic equation and its social applications

NASA Astrophysics Data System (ADS)

Hernando, A.; Plastino, A.

2013-01-01

On the basis of dynamical principles we i) advance a derivation of the Logistic Equation (LE), widely employed (among multiple applications) in the simulation of population growth, and ii) demonstrate that scale-invariance and a mean-value constraint are sufficient and necessary conditions for obtaining it. We also generalize the LE to multi-component systems and show that the above dynamical mechanisms underlie a large number of scale-free processes. Examples are presented regarding city-populations, diffusion in complex networks, and popularity of technological products, all of them obeying the multi-component logistic equation in an either stochastic or deterministic way.

Multi-Objective Bidding Strategy for Genco Using Non-Dominated Sorting Particle Swarm Optimization

NASA Astrophysics Data System (ADS)

Saksinchai, Apinat; Boonchuay, Chanwit; Ongsakul, Weerakorn

2010-06-01

This paper proposes a multi-objective bidding strategy for a generation company (GenCo) in uniform price spot market using non-dominated sorting particle swarm optimization (NSPSO). Instead of using a tradeoff technique, NSPSO is introduced to solve the multi-objective strategic bidding problem considering expected profit maximization and risk (profit variation) minimization. Monte Carlo simulation is employed to simulate rivals' bidding behavior. Test results indicate that the proposed approach can provide the efficient non-dominated solution front effectively. In addition, it can be used as a decision making tool for a GenCo compromising between expected profit and price risk in spot market.

An evaluation of noise reduction algorithms for particle-based fluid simulations in multi-scale applications

NASA Astrophysics Data System (ADS)

Zimoń, M. J.; Prosser, R.; Emerson, D. R.; Borg, M. K.; Bray, D. J.; Grinberg, L.; Reese, J. M.

2016-11-01

Filtering of particle-based simulation data can lead to reduced computational costs and enable more efficient information transfer in multi-scale modelling. This paper compares the effectiveness of various signal processing methods to reduce numerical noise and capture the structures of nano-flow systems. In addition, a novel combination of these algorithms is introduced, showing the potential of hybrid strategies to improve further the de-noising performance for time-dependent measurements. The methods were tested on velocity and density fields, obtained from simulations performed with molecular dynamics and dissipative particle dynamics. Comparisons between the algorithms are given in terms of performance, quality of the results and sensitivity to the choice of input parameters. The results provide useful insights on strategies for the analysis of particle-based data and the reduction of computational costs in obtaining ensemble solutions.

PAM: Particle automata model in simulation of Fusarium graminearum pathogen expansion.

PubMed

Wcisło, Rafał; Miller, S Shea; Dzwinel, Witold

2016-01-21

The multi-scale nature and inherent complexity of biological systems are a great challenge for computer modeling and classical modeling paradigms. We present a novel particle automata modeling metaphor in the context of developing a 3D model of Fusarium graminearum infection in wheat. The system consisting of the host plant and Fusarium pathogen cells can be represented by an ensemble of discrete particles defined by a set of attributes. The cells-particles can interact with each other mimicking mechanical resistance of the cell walls and cell coalescence. The particles can move, while some of their attributes can be changed according to prescribed rules. The rules can represent cellular scales of a complex system, while the integrated particle automata model (PAM) simulates its overall multi-scale behavior. We show that due to the ability of mimicking mechanical interactions of Fusarium tip cells with the host tissue, the model is able to simulate realistic penetration properties of the colonization process reproducing both vertical and lateral Fusarium invasion scenarios. The comparison of simulation results with micrographs from laboratory experiments shows encouraging qualitative agreement between the two. Copyright © 2015 Elsevier Ltd. All rights reserved.

Techniques for High Contrast Imaging in Multi-Star Systems II: Multi-Star Wavefront Control

NASA Technical Reports Server (NTRS)

Sirbu, D.; Thomas, S.; Belikov, R.

2017-01-01

Direct imaging of exoplanets represents a challenge for astronomical instrumentation due to the high-contrast ratio and small angular separation between the host star and the faint planet. Multi-star systems pose additional challenges for coronagraphic instruments because of the diffraction and aberration leakage introduced by the additional stars, and as a result are not planned to be on direct imaging target lists. Multi-star wavefront control (MSWC) is a technique that uses a coronagraphic instrument's deformable mirror (DM) to create high-contrast regions in the focal plane in the presence of multiple stars. Our previous paper introduced the Super-Nyquist Wavefront Control (SNWC) technique that uses a diffraction grating to enable the DM to generate high-contrast regions beyond the nominal controllable region. These two techniques can be combined to generate high-contrast regions for multi-star systems at any angular separations. As a case study, a high-contrast wavefront control (WC) simulation that applies these techniques shows that the habitable region of the Alpha Centauri system can be imaged reaching 8 times 10(exp -9) mean contrast in 10 percent broadband light in one-sided dark holes from 1.6-5.5 lambda (wavelength) divided by D (distance).

E-GRASP/Eratosthenes: a mission proposal for millimetric TRF realization

NASA Astrophysics Data System (ADS)

Biancale, Richard; Pollet, Arnaud; Coulot, David; Mandea, Mioara

2017-04-01

The ITRF is currently worked out by independent concatenation of space technique information. GNSS, DORIS, SLR and VLBI data are processed independently by analysis centers before combination centers form mono-technique sets which are then combined together to produce official ITRF solutions. Actually this approach performs quite well, although systematisms between techniques remain visible in origin or scale parameters of the underlying terrestrial frames, for instance. Improvement and homogenization of TRF are expected in the future, provided that dedicated multi-technique platforms are used at best. The goal fixed by GGOS to realizing the terrestrial reference system with an accuracy of 1 mm and a long-term stability of 0.1 mm/yr can be next achieved in the E-GRASP/Eratosthenes scenario. This mission proposed to ESA as response of the 2017 Earth Explorer-9 call was already scientifically well assessed in the 2016 EE9 call. It co-locates all of the fundamental space-based geodetic instruments, GNSS and DORIS receivers, laser retro-reflectors, and a VLBI transmitter on the same satellite platform on a highly eccentric orbit with particular attention paid to the time and space metrology on board. Different kinds of simulations were performed both for discriminating the best orbital scenario according to many geometric/technical/physical criteria and for assessing the expected performances on the TRF according to GGOS goals. The presentation will focus on the mission scenario and simulation results.

Baseline process description for simulating plutonium oxide production for precalc project

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

Pike, J. A.

Savannah River National Laboratory (SRNL) started a multi-year project, the PreCalc Project, to develop a computational simulation of a plutonium oxide (PuO 2) production facility with the objective to study the fundamental relationships between morphological and physicochemical properties. This report provides a detailed baseline process description to be used by SRNL personnel and collaborators to facilitate the initial design and construction of the simulation. The PreCalc Project team selected the HB-Line Plutonium Finishing Facility as the basis for a nominal baseline process since the facility is operational and significant model validation data can be obtained. The process boundary as wellmore » as process and facility design details necessary for multi-scale, multi-physics models are provided.« less

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.

Probabilistic simulation of multi-scale composite behavior

NASA Technical Reports Server (NTRS)

Liaw, D. G.; Shiao, M. C.; Singhal, S. N.; Chamis, Christos C.

1993-01-01

A methodology is developed to computationally assess the probabilistic composite material properties at all composite scale levels due to the uncertainties in the constituent (fiber and matrix) properties and in the fabrication process variables. The methodology is computationally efficient for simulating the probability distributions of material properties. The sensitivity of the probabilistic composite material property to each random variable is determined. This information can be used to reduce undesirable uncertainties in material properties at the macro scale of the composite by reducing the uncertainties in the most influential random variables at the micro scale. This methodology was implemented into the computer code PICAN (Probabilistic Integrated Composite ANalyzer). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in the material properties of a typical laminate and comparing the results with the Monte Carlo simulation method. The experimental data of composite material properties at all scales fall within the scatters predicted by PICAN.

Urology Residents' Experience and Attitude Toward Surgical Simulation: Presenting our 4-Year Experience With a Multi-institutional, Multi-modality Simulation Model.

PubMed

Chow, Alexander K; Sherer, Benjamin A; Yura, Emily; Kielb, Stephanie; Kocjancic, Ervin; Eggener, Scott; Turk, Thomas; Park, Sangtae; Psutka, Sarah; Abern, Michael; Latchamsetty, Kalyan C; Coogan, Christopher L

2017-11-01

To evaluate the Urological resident's attitude and experience with surgical simulation in residency education using a multi-institutional, multi-modality model. Residents from 6 area urology training programs rotated through simulation stations in 4 consecutive sessions from 2014 to 2017. Workshops included GreenLight photovaporization of the prostate, ureteroscopic stone extraction, laparoscopic peg transfer, 3-dimensional laparoscopy rope pass, transobturator sling placement, intravesical injection, high definition video system trainer, vasectomy, and Urolift. Faculty members provided teaching assistance, objective scoring, and verbal feedback. Participants completed a nonvalidated questionnaire evaluating utility of the workshop and soliciting suggestions for improvement. Sixty-three of 75 participants (84%) (postgraduate years 1-6) completed the exit questionnaire. Median rating of exercise usefulness on a scale of 1-10 ranged from 7.5 to 9. On a scale of 0-10, cumulative median scores of the course remained high over 4 years: time limit per station (9; interquartile range [IQR] 2), faculty instruction (9, IQR 2), ease of use (9, IQR 2), face validity (8, IQR 3), and overall course (9, IQR 2). On multivariate analysis, there was no difference in rating of domains between postgraduate years. Sixty-seven percent (42/63) believe that simulation training should be a requirement of Urology residency. Ninety-seven percent (63/65) viewed the laboratory as beneficial to their education. This workshop model is a valuable training experience for residents. Most participants believe that surgical simulation is beneficial and should be a requirement for Urology residency. High ratings of usefulness for each exercise demonstrated excellent face validity provided by the course. Copyright © 2017 Elsevier Inc. All rights reserved.

Turbulence sources, character, and effects in the stable boundary layer: Insights from multi-scale direct numerical simulations and new, high-resolution measurements

NASA Astrophysics Data System (ADS)

Fritts, Dave; Wang, Ling; Balsley, Ben; Lawrence, Dale

2013-04-01

A number of sources contribute to intermittent small-scale turbulence in the stable boundary layer (SBL). These include Kelvin-Helmholtz instability (KHI), gravity wave (GW) breaking, and fluid intrusions, among others. Indeed, such sources arise naturally in response to even very simple "multi-scale" superpositions of larger-scale GWs and smaller-scale GWs, mean flows, or fine structure (FS) throughout the atmosphere and the oceans. We describe here results of two direct numerical simulations (DNS) of these GW-FS interactions performed at high resolution and high Reynolds number that allow exploration of these turbulence sources and the character and effects of the turbulence that arises in these flows. Results include episodic turbulence generation, a broad range of turbulence scales and intensities, PDFs of dissipation fields exhibiting quasi-log-normal and more complex behavior, local turbulent mixing, and "sheet and layer" structures in potential temperature that closely resemble high-resolution measurements. Importantly, such multi-scale dynamics differ from their larger-scale, quasi-monochromatic gravity wave or quasi-horizontally homogeneous shear flow instabilities in significant ways. The ability to quantify such multi-scale dynamics with new, very high-resolution measurements is also advancing rapidly. New in-situ sensors on small, unmanned aerial vehicles (UAVs), balloons, or tethered systems are enabling definition of SBL (and deeper) environments and turbulence structure and dissipation fields with high spatial and temporal resolution and precision. These new measurement and modeling capabilities promise significant advances in understanding small-scale instability and turbulence dynamics, in quantifying their roles in mixing, transport, and evolution of the SBL environment, and in contributing to improved parameterizations of these dynamics in mesoscale, numerical weather prediction, climate, and general circulation models. We expect such measurement and modeling capabilities to also aid in the design of new and more comprehensive future SBL measurement programs.

GPU-accelerated computational tool for studying the effectiveness of asteroid disruption techniques

NASA Astrophysics Data System (ADS)

Zimmerman, Ben J.; Wie, Bong

2016-10-01

This paper presents the development of a new Graphics Processing Unit (GPU) accelerated computational tool for asteroid disruption techniques. Numerical simulations are completed using the high-order spectral difference (SD) method. Due to the compact nature of the SD method, it is well suited for implementation with the GPU architecture, hence solutions are generated at orders of magnitude faster than the Central Processing Unit (CPU) counterpart. A multiphase model integrated with the SD method is introduced, and several asteroid disruption simulations are conducted, including kinetic-energy impactors, multi-kinetic energy impactor systems, and nuclear options. Results illustrate the benefits of using multi-kinetic energy impactor systems when compared to a single impactor system. In addition, the effectiveness of nuclear options is observed.

A Multi-Scale, Multi-Physics Optimization Framework for Additively Manufactured Structural Components

NASA Astrophysics Data System (ADS)

El-Wardany, Tahany; Lynch, Mathew; Gu, Wenjiong; Hsu, Arthur; Klecka, Michael; Nardi, Aaron; Viens, Daniel

This paper proposes an optimization framework enabling the integration of multi-scale / multi-physics simulation codes to perform structural optimization design for additively manufactured components. Cold spray was selected as the additive manufacturing (AM) process and its constraints were identified and included in the optimization scheme. The developed framework first utilizes topology optimization to maximize stiffness for conceptual design. The subsequent step applies shape optimization to refine the design for stress-life fatigue. The component weight was reduced by 20% while stresses were reduced by 75% and the rigidity was improved by 37%. The framework and analysis codes were implemented using Altair software as well as an in-house loading code. The optimized design was subsequently produced by the cold spray process.

Multi-scale computation methods: Their applications in lithium-ion battery research and development

NASA Astrophysics Data System (ADS)

Siqi, Shi; Jian, Gao; Yue, Liu; Yan, Zhao; Qu, Wu; Wangwei, Ju; Chuying, Ouyang; Ruijuan, Xiao

2016-01-01

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales. Project supported by the National Natural Science Foundation of China (Grant Nos. 51372228 and 11234013), the National High Technology Research and Development Program of China (Grant No. 2015AA034201), and Shanghai Pujiang Program, China (Grant No. 14PJ1403900).

Computer Simulation of Fracture in Aerogels

NASA Technical Reports Server (NTRS)

Good, Brian S.

2006-01-01

Aerogels are of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While the gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. In this work, we investigate the strength and fracture behavior of silica aerogels using a molecular statics-based computer simulation technique. The gels' structure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) algorithm, which produces fractal structures representing experimentally observed aggregates of so-called secondary particles, themselves composed of amorphous silica primary particles an order of magnitude smaller. We have performed multi-length-scale simulations of fracture in silica aerogels, in which the interaction b e e n two secondary particles is assumed to be described by a Morse pair potential parameterized such that the potential range is much smaller than the secondary particle size. These Morse parameters are obtained by atomistic simulation of models of the experimentally-observed amorphous silica "bridges," with the fracture behavior of these bridges modeled via molecular statics using a Morse/Coulomb potential for silica. We consider the energetics of the fracture, and compare qualitative features of low-and high-density gel fracture.

The trend of the multi-scale temporal variability of precipitation in Colorado River Basin

NASA Astrophysics Data System (ADS)

Jiang, P.; Yu, Z.

2011-12-01

Hydrological problems like estimation of flood and drought frequencies under future climate change are not well addressed as a result of the disability of current climate models to provide reliable prediction (especially for precipitation) shorter than 1 month. In order to assess the possible impacts that multi-scale temporal distribution of precipitation may have on the hydrological processes in Colorado River Basin (CRB), a comparative analysis of multi-scale temporal variability of precipitation as well as the trend of extreme precipitation is conducted in four regions controlled by different climate systems. Multi-scale precipitation variability including within-storm patterns and intra-annual, inter-annual and decadal variabilities will be analyzed to explore the possible trends of storm durations, inter-storm periods, average storm precipitation intensities and extremes under both long-term natural climate variability and human-induced warming. Further more, we will examine the ability of current climate models to simulate the multi-scale temporal variability and extremes of precipitation. On the basis of these analyses, a statistical downscaling method will be developed to disaggregate the future precipitation scenarios which will provide a more reliable and finer temporal scale precipitation time series for hydrological modeling. Analysis results and downscaling results will be presented.

Multi-Scale Modeling, Surrogate-Based Analysis, and Optimization of Lithium-Ion Batteries for Vehicle Applications

NASA Astrophysics Data System (ADS)

Du, Wenbo

A common attribute of electric-powered aerospace vehicles and systems such as unmanned aerial vehicles, hybrid- and fully-electric aircraft, and satellites is that their performance is usually limited by the energy density of their batteries. Although lithium-ion batteries offer distinct advantages such as high voltage and low weight over other battery technologies, they are a relatively new development, and thus significant gaps in the understanding of the physical phenomena that govern battery performance remain. As a result of this limited understanding, batteries must often undergo a cumbersome design process involving many manual iterations based on rules of thumb and ad-hoc design principles. A systematic study of the relationship between operational, geometric, morphological, and material-dependent properties and performance metrics such as energy and power density is non-trivial due to the multiphysics, multiphase, and multiscale nature of the battery system. To address these challenges, two numerical frameworks are established in this dissertation: a process for analyzing and optimizing several key design variables using surrogate modeling tools and gradient-based optimizers, and a multi-scale model that incorporates more detailed microstructural information into the computationally efficient but limited macro-homogeneous model. In the surrogate modeling process, multi-dimensional maps for the cell energy density with respect to design variables such as the particle size, ion diffusivity, and electron conductivity of the porous cathode material are created. A combined surrogate- and gradient-based approach is employed to identify optimal values for cathode thickness and porosity under various operating conditions, and quantify the uncertainty in the surrogate model. The performance of multiple cathode materials is also compared by defining dimensionless transport parameters. The multi-scale model makes use of detailed 3-D FEM simulations conducted at the particle-level. A monodisperse system of ellipsoidal particles is used to simulate the effective transport coefficients and interfacial reaction current density within the porous microstructure. Microscopic simulation results are shown to match well with experimental measurements, while differing significantly from homogenization approximations used in the macroscopic model. Global sensitivity analysis and surrogate modeling tools are applied to couple the two length scales and complete the multi-scale model.

MUSIC: MUlti-Scale Initial Conditions

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Abel, Tom

2013-11-01

MUSIC generates multi-scale initial conditions with multiple levels of refinements for cosmological ‘zoom-in’ simulations. The code uses an adaptive convolution of Gaussian white noise with a real-space transfer function kernel together with an adaptive multi-grid Poisson solver to generate displacements and velocities following first- (1LPT) or second-order Lagrangian perturbation theory (2LPT). MUSIC achieves rms relative errors of the order of 10-4 for displacements and velocities in the refinement region and thus improves in terms of errors by about two orders of magnitude over previous approaches. In addition, errors are localized at coarse-fine boundaries and do not suffer from Fourier space-induced interference ringing.

Multi-Scale Modeling of an Integrated 3D Braided Composite with Applications to Helicopter Arm

NASA Astrophysics Data System (ADS)

Zhang, Diantang; Chen, Li; Sun, Ying; Zhang, Yifan; Qian, Kun

2017-10-01

A study is conducted with the aim of developing multi-scale analytical method for designing the composite helicopter arm with three-dimensional (3D) five-directional braided structure. Based on the analysis of 3D braided microstructure, the multi-scale finite element modeling is developed. Finite element analysis on the load capacity of 3D five-directional braided composites helicopter arm is carried out using the software ABAQUS/Standard. The influences of the braiding angle and loading condition on the stress and strain distribution of the helicopter arm are simulated. The results show that the proposed multi-scale method is capable of accurately predicting the mechanical properties of 3D braided composites, validated by the comparison the stress-strain curves of meso-scale RVCs. Furthermore, it is found that the braiding angle is an important factor affecting the mechanical properties of 3D five-directional braided composite helicopter arm. Based on the optimized structure parameters, the nearly net-shaped composite helicopter arm is fabricated using a novel resin transfer mould (RTM) process.

On the estimation of the current density in space plasmas: Multi- versus single-point techniques

NASA Astrophysics Data System (ADS)

Perri, Silvia; Valentini, Francesco; Sorriso-Valvo, Luca; Reda, Antonio; Malara, Francesco

2017-06-01

Thanks to multi-spacecraft mission, it has recently been possible to directly estimate the current density in space plasmas, by using magnetic field time series from four satellites flying in a quasi perfect tetrahedron configuration. The technique developed, commonly called ;curlometer; permits a good estimation of the current density when the magnetic field time series vary linearly in space. This approximation is generally valid for small spacecraft separation. The recent space missions Cluster and Magnetospheric Multiscale (MMS) have provided high resolution measurements with inter-spacecraft separation up to 100 km and 10 km, respectively. The former scale corresponds to the proton gyroradius/ion skin depth in ;typical; solar wind conditions, while the latter to sub-proton scale. However, some works have highlighted an underestimation of the current density via the curlometer technique with respect to the current computed directly from the velocity distribution functions, measured at sub-proton scales resolution with MMS. In this paper we explore the limit of the curlometer technique studying synthetic data sets associated to a cluster of four artificial satellites allowed to fly in a static turbulent field, spanning a wide range of relative separation. This study tries to address the relative importance of measuring plasma moments at very high resolution from a single spacecraft with respect to the multi-spacecraft missions in the current density evaluation.

Estimation of Soil Moisture with L-band Multi-polarization Radar

NASA Technical Reports Server (NTRS)

Shi, J.; Chen, K. S.; Kim, Chung-Li Y.; Van Zyl, J. J.; Njoku, E.; Sun, G.; O'Neill, P.; Jackson, T.; Entekhabi, D.

2004-01-01

Through analyses of the model simulated data-base, we developed a technique to estimate surface soil moisture under HYDROS radar sensor (L-band multi-polarizations and 40deg incidence) configuration. This technique includes two steps. First, it decomposes the total backscattering signals into two components - the surface scattering components (the bare surface backscattering signals attenuated by the overlaying vegetation layer) and the sum of the direct volume scattering components and surface-volume interaction components at different polarizations. From the model simulated data-base, our decomposition technique works quit well in estimation of the surface scattering components with RMSEs of 0.12,0.25, and 0.55 dB for VV, HH, and VH polarizations, respectively. Then, we use the decomposed surface backscattering signals to estimate the soil moisture and the combined surface roughness and vegetation attenuation correction factors with all three polarizations.

Review of sonic-boom simulation devices and techniques.

NASA Technical Reports Server (NTRS)

Edge, P. M., Jr.; Hubbard, H. H.

1972-01-01

Research on aircraft-generated sonic booms has led to the development of special techniques to generate controlled sonic-boom-type disturbances without the complications and expense of supersonic flight operations. This paper contains brief descriptions of several of these techniques along with the significant hardware items involved and indicates the advantages and disadvantages of each in research applications. Included are wind tunnels, ballistic ranges, spark discharges, piston phones, shock tubes, high-speed valve systems, and shaped explosive charges. Specialized applications include sonic-boom generation and propagation studies and the responses of structures, terrain, people, and animals. Situations for which simulators are applicable are shown to include both small-scale and large-scale laboratory tests and full-scale field tests. Although no one approach to simulation is ideal, the various techniques available generally complement each other to provide desired capability for a broad range of sonic-boom studies.

The impact of wave number selection and spin up time when using spectral nudging for dynamical downscaling applications

NASA Astrophysics Data System (ADS)

Gómez, Breogán; Miguez-Macho, Gonzalo

2017-04-01

Nudging techniques are commonly used to constrain the evolution of numerical models to a reference dataset that is typically of a lower resolution. The nudged model retains some of the features of the reference field while incorporating its own dynamics to the solution. These characteristics have made nudging very popular in dynamic downscaling applications that cover from shot range, single case studies, to multi-decadal regional climate simulations. Recently, a variation of this approach called Spectral Nudging, has gained popularity for its ability to maintain the higher temporal and spatial variability of the model results, while forcing the large scales in the solution with a coarser resolution field. In this work, we focus on a not much explored aspect of this technique: the impact of selecting different cut-off wave numbers and spin-up times. We perform four-day long simulations with the WRF model, daily for three different one-month periods that include a free run and several Spectral Nudging experiments with cut-off wave numbers ranging from the smallest to the largest possible (full Grid Nudging). Results show that Spectral Nudging is very effective at imposing the selected scales onto the solution, while allowing the limited area model to incorporate finer scale features. The model error diminishes rapidly as the nudging expands over broader parts of the spectrum, but this decreasing trend ceases sharply at cut-off wave numbers equivalent to a length scale of about 1000 km, and the error magnitude changes minimally thereafter. This scale corresponds to the Rossby Radius of deformation, separating synoptic from convective scales in the flow. When nudging above this value is applied, a shifting of the synoptic patterns can occur in the solution, yielding large model errors. However, when selecting smaller scales, the fine scale contribution of the model is damped, thus making 1000 km the appropriate scale threshold to nudge in order to balance both effects. Finally, we note that longer spin-up times are needed for model errors to stabilize when using Spectral Nudging than with Grid Nudging. Our results suggest that this time is between 36 and 48 hours.

Properties of Shocked Polymers: Mbar experiments on Z and multi-scale simulations

NASA Astrophysics Data System (ADS)

Mattsson, Thomas R.

2010-03-01

Significant progress has been made over the last few years in understanding properties of matter subject to strong shocks and other extreme conditions. High-accuracy multi-Mbar experiments and first-principles theoretical studies together provide detailed insights into the physics and chemistry of high energy-density matter. While comprehensive advances have been made for pure elements like deuterium, helium, and carbon, progress has been slower for equally important, albeit more challenging, materials like molecular crystals, polymers, and foams. Hydrocarbon based polymer foams are common materials and in particular they are used in designing shock- and inertial confinement fusion experiments. Depending on their initial density, foams shock to relatively higher pressure and temperature compared to shocked dense polymers/plastics. As foams and polymers are shocked, they exhibit both structural and chemical transitions. We will present experimental and theoretical results for shocked polymers in the Mbar regime. By shock impact of magnetically launched flyer plates on poly(4-methyl-1-pentene) foams, we create multi-Mbar pressures in a dense plasma mixture of hydrogen, carbon, at temperatures of several eV. Concurrently with executing experiments, we analyze the system by multi-scale simulations, from density functional theory to continuum magneto-hydrodynamics simulations. In particular, density functional theory (DFT) molecular dynamics (MD) and classical MD simulations of the principal shock Hugoniot will be presented in detail for two hydrocarbon polymers: polyethylene (PE) and poly(4-methyl-1-pentene) (PMP).

Blade Displacement Measurement Technique Applied to a Full-Scale Rotor Test

NASA Technical Reports Server (NTRS)

Abrego, Anita I.; Olson, Lawrence E.; Romander, Ethan A.; Barrows, Danny A.; Burner, Alpheus W.

2012-01-01

Blade displacement measurements using multi-camera photogrammetry were acquired during the full-scale wind tunnel test of the UH-60A Airloads rotor, conducted in the National Full-Scale Aerodynamics Complex 40- by 80-Foot Wind Tunnel. The objectives were to measure the blade displacement and deformation of the four rotor blades as they rotated through the entire rotor azimuth. These measurements are expected to provide a unique dataset to aid in the development and validation of rotorcraft prediction techniques. They are used to resolve the blade shape and position, including pitch, flap, lag and elastic deformation. Photogrammetric data encompass advance ratios from 0.15 to slowed rotor simulations of 1.0, thrust coefficient to rotor solidity ratios from 0.01 to 0.13, and rotor shaft angles from -10.0 to 8.0 degrees. An overview of the blade displacement measurement methodology and system development, descriptions of image processing, uncertainty considerations, preliminary results covering static and moderate advance ratio test conditions and future considerations are presented. Comparisons of experimental and computational results for a moderate advance ratio forward flight condition show good trend agreements, but also indicate significant mean discrepancies in lag and elastic twist. Blade displacement pitch measurements agree well with both the wind tunnel commanded and measured values.

Incorporating principal component analysis into air quality ...

EPA Pesticide Factsheets

The efficacy of standard air quality model evaluation techniques is becoming compromised as the simulation periods continue to lengthen in response to ever increasing computing capacity. Accordingly, the purpose of this paper is to demonstrate a statistical approach called Principal Component Analysis (PCA) with the intent of motivating its use by the evaluation community. One of the main objectives of PCA is to identify, through data reduction, the recurring and independent modes of variations (or signals) within a very large dataset, thereby summarizing the essential information of that dataset so that meaningful and descriptive conclusions can be made. In this demonstration, PCA is applied to a simple evaluation metric – the model bias associated with EPA's Community Multi-scale Air Quality (CMAQ) model when compared to weekly observations of sulfate (SO42−) and ammonium (NH4+) ambient air concentrations measured by the Clean Air Status and Trends Network (CASTNet). The advantages of using this technique are demonstrated as it identifies strong and systematic patterns of CMAQ model bias across a myriad of spatial and temporal scales that are neither constrained to geopolitical boundaries nor monthly/seasonal time periods (a limitation of many current studies). The technique also identifies locations (station–grid cell pairs) that are used as indicators for a more thorough diagnostic evaluation thereby hastening and facilitating understanding of the prob

Multi-scale Observation of Biological Interactions of Nanocarriers: from Nano to Macro

PubMed Central

Jin, Su-Eon; Bae, Jin Woo; Hong, Seungpyo

2010-01-01

Microscopic observations have played a key role in recent advancements in nanotechnology-based biomedical sciences. In particular, multi-scale observation is necessary to fully understand the nano-bio interfaces where a large amount of unprecedented phenomena have been reported. This review describes how to address the physicochemical and biological interactions of nanocarriers within the biological environments using microscopic tools. The imaging techniques are categorized based on the size scale of detection. For observation of the nano-scale biological interactions of nanocarriers, we discuss atomic force microscopy (AFM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). For the micro to macro-scale (in vitro and in vivo) observation, we focus on confocal laser scanning microscopy (CLSM) as well as in vivo imaging systems such as magnetic resonance imaging (MRI), superconducting quantum interference devices (SQUIDs), and IVIS®. Additionally, recently developed combined techniques such as AFM-CLSM, correlative Light and Electron Microscopy (CLEM), and SEM-spectroscopy are also discussed. In this review, we describe how each technique helps elucidate certain physicochemical and biological activities of nanocarriers such as dendrimers, polymers, liposomes, and polymeric/inorganic nanoparticles, thus providing a toolbox for bioengineers, pharmaceutical scientists, biologists, and research clinicians. PMID:20232368

Multi-phase CFD modeling of solid sorbent carbon capture system

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

Ryan, E. M.; DeCroix, D.; Breault, R.

2013-07-01

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian–Eulerian and Eulerian–Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian–Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian–Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

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

Ryan, Emily M.; DeCroix, David; Breault, Ronald W.

2013-07-30

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

NASA Astrophysics Data System (ADS)

Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

2014-04-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

A scale space feature based registration technique for fusion of satellite imagery

NASA Technical Reports Server (NTRS)

Raghavan, Srini; Cromp, Robert F.; Campbell, William C.

1997-01-01

Feature based registration is one of the most reliable methods to register multi-sensor images (both active and passive imagery) since features are often more reliable than intensity or radiometric values. The only situation where a feature based approach will fail is when the scene is completely homogenous or densely textural in which case a combination of feature and intensity based methods may yield better results. In this paper, we present some preliminary results of testing our scale space feature based registration technique, a modified version of feature based method developed earlier for classification of multi-sensor imagery. The proposed approach removes the sensitivity in parameter selection experienced in the earlier version as explained later.

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

NASA Technical Reports Server (NTRS)

Frankland, S. J. V.; Riddick, J. C.; Gates, T. S.

2005-01-01

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Multi-time Scale Joint Scheduling Method Considering the Grid of Renewable Energy

NASA Astrophysics Data System (ADS)

Zhijun, E.; Wang, Weichen; Cao, Jin; Wang, Xin; Kong, Xiangyu; Quan, Shuping

2018-01-01

Renewable new energy power generation prediction error like wind and light, brings difficulties to dispatch the power system. In this paper, a multi-time scale robust scheduling method is set to solve this problem. It reduces the impact of clean energy prediction bias to the power grid by using multi-time scale (day-ahead, intraday, real time) and coordinating the dispatching power output of various power supplies such as hydropower, thermal power, wind power, gas power and. The method adopts the robust scheduling method to ensure the robustness of the scheduling scheme. By calculating the cost of the abandon wind and the load, it transforms the robustness into the risk cost and optimizes the optimal uncertainty set for the smallest integrative costs. The validity of the method is verified by simulation.

Towards wall functions for the prediction of solute segregation in plane front directional solidification

NASA Astrophysics Data System (ADS)

Chatelain, M.; Rhouzlane, S.; Botton, V.; Albaric, M.; Henry, D.; Millet, S.; Pelletier, D.; Garandet, J. P.

2017-10-01

The present paper focuses on solute segregation occurring in directional solidification processes with sharp solid/liquid interface, like silicon crystal growth. A major difficulty for the simulation of such processes is their inherently multi-scale nature: the impurity segregation problem is controlled at the solute boundary layer scale (micrometers) while the thermal problem is ruled at the crucible scale (meters). The thickness of the solute boundary layer is controlled by the convection regime and requires a specific refinement of the mesh of numerical models. In order to improve numerical simulations, wall functions describing solute boundary layers for convecto-diffusive regimes are derived from a scaling analysis. The aim of these wall functions is to obtain segregation profiles from purely thermo-hydrodynamic simulations, which do not require solute boundary layer refinement at the solid/liquid interface. Regarding industrial applications, various stirring techniques can be used to enhance segregation, leading to fully turbulent flows in the melt. In this context, the scaling analysis is further improved by taking into account the turbulent solute transport. The solute boundary layers predicted by the analytical model are compared to those obtained by transient segregation simulations in a canonical 2D lid driven cavity configuration for validation purposes. Convective regimes ranging from laminar to fully turbulent are considered. Growth rate and molecular diffusivity influences are also investigated. Then, a procedure to predict concentration fields in the solid phase from a hydrodynamic simulation of the solidification process is proposed. This procedure is based on the analytical wall functions and on solute mass conservation. It only uses wall shear-stress profiles at the solidification front as input data. The 2D analytical concentration fields are directly compared to the results of the complete simulation of segregation in the lid driven cavity configuration. Finally, an additional output from the analytical model is also presented. We put in light the correlation between different species convecto-diffusive behaviour; we use it to propose an estimation method for the segregation parameters of various chemical species knowing segregation parameters of one specific species.

Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations.

PubMed

Heidari, Zahra; Roe, Daniel R; Galindo-Murillo, Rodrigo; Ghasemi, Jahan B; Cheatham, Thomas E

2016-07-25

Long time scale molecular dynamics (MD) simulations of biological systems are becoming increasingly commonplace due to the availability of both large-scale computational resources and significant advances in the underlying simulation methodologies. Therefore, it is useful to investigate and develop data mining and analysis techniques to quickly and efficiently extract the biologically relevant information from the incredible amount of generated data. Wavelet analysis (WA) is a technique that can quickly reveal significant motions during an MD simulation. Here, the application of WA on well-converged long time scale (tens of μs) simulations of a DNA helix is described. We show how WA combined with a simple clustering method can be used to identify both the physical and temporal locations of events with significant motion in MD trajectories. We also show that WA can not only distinguish and quantify the locations and time scales of significant motions, but by changing the maximum time scale of WA a more complete characterization of these motions can be obtained. This allows motions of different time scales to be identified or ignored as desired.

EPA RESEARCH HIGHLIGHTS -- MODELS-3/CMAQ OFFERS COMPREHENSIVE APPROACH TO AIR QUALITY MODELING

EPA Science Inventory

Regional and global coordinated efforts are needed to address air quality problems that are growing in complexity and scope. Models-3 CMAQ contains a community multi-scale air quality modeling system for simulating urban to regional scale pollution problems relating to troposphe...

Estimation of urban runoff and water quality using remote sensing and artificial intelligence.

PubMed

Ha, S R; Park, S Y; Park, D H

2003-01-01

Water quality and quantity of runoff are strongly dependent on the landuse and landcover (LULC) criteria. In this study, we developed a more improved parameter estimation procedure for the environmental model using remote sensing (RS) and artificial intelligence (AI) techniques. Landsat TM multi-band (7bands) and Korea Multi-Purpose Satellite (KOMPSAT) panchromatic data were selected for input data processing. We employed two kinds of artificial intelligence techniques, RBF-NN (radial-basis-function neural network) and ANN (artificial neural network), to classify LULC of the study area. A bootstrap resampling method, a statistical technique, was employed to generate the confidence intervals and distribution of the unit load. SWMM was used to simulate the urban runoff and water quality and applied to the study watershed. The condition of urban flow and non-point contaminations was simulated with rainfall-runoff and measured water quality data. The estimated total runoff, peak time, and pollutant generation varied considerably according to the classification accuracy and percentile unit load applied. The proposed procedure would efficiently be applied to water quality and runoff simulation in a rapidly changing urban area.

Teaching aseptic technique for central venous access under ultrasound guidance: a randomized trial comparing didactic training alone to didactic plus simulation-based training.

PubMed

Latif, Rana K; Bautista, Alexander F; Memon, Saima B; Smith, Elizabeth A; Wang, Chenxi; Wadhwa, Anupama; Carter, Mary B; Akca, Ozan

2012-03-01

Our goal was to determine whether simulation combined with didactic training improves sterile technique during ultrasound (US)-guided central venous catheter (CVC) insertion compared with didactic training alone among novices. We hypothesized that novices who receive combined didactic and simulation-based training would perform similarly to experienced residents in aseptic technique, knowledge, and perception of comfort during US-guided CVC insertion on a simulator. Seventy-two subjects were enrolled in a randomized, controlled trial of an educational intervention. Fifty-four novices were randomized into either the didactic group or the simulation combined with didactic group. Both groups received didactic training but the simulation combined with didactic group also received simulation-based CVC insertion training. Both groups were tested by demonstrating US-guided CVC insertion on a simulator. Aseptic technique was scored on 8 steps as "yes/no" and also using a 7-point Likert scale with 7 being "excellent technique" by a rater blinded to subject randomization. After initial testing, the didactic group was offered simulation-based training and retesting. Both groups also took a pre- and posttraining test of knowledge and rated their comfort with US and CVC insertion pre- and posttraining on a 5-point Likert scale. Subsequently, 18 experienced residents also took the test of knowledge, rated their comfort level, and were scored while performing aseptic US-guided CVC insertion using a simulator. The simulation combined with didactic group achieved a 167% (95% confidence interval [CI] 133%-167%) incremental increase in yes/no scores and 115% (CI 112%-127%) incremental increase in Likert scale ratings on aseptic technique compared with novices in the didactic group. Compared with experienced residents, simulation combined with didactic trained novices achieved an increase in aseptic scores with a 33.3% (CI 16.7%-50%) increase in yes/no ratings and a 20% (CI 13.3%-40%) increase in Likert scaled ratings, and scored 2.5-fold higher on the test of knowledge. There was a 3-fold increase in knowledge and 2-fold increase in comfort level among all novices (P < 0.001) after combined didactic and simulation-based training. Simulation combined with didactic training is superior to didactic training alone for acquisition of clinical skills such as US-guided CVC insertion. After combined didactic and simulation-based training, novices can outperform experienced residents in aseptic technique as well as in measurements of knowledge.

SENSITIVITY OF THE CMAQ MERCURY MODEL TO GAS-PHASE OXIDATION CHEMISTRY

EPA Science Inventory

Simulations of the Community Multi-scale Air Quality (CMAQ) model for mercury have shown the vast majority of the mercury deposited in the United States to be in the form of oxidized mercury. However, most of this simulated oxidized mercury was the result of atmospheric oxidatio...

Application of Wavelet-Based Methods for Accelerating Multi-Time-Scale Simulation of Bistable Heterogeneous Catalysis

DOE PAGES

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ; ...

2017-02-16

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

Computer Laboratory for Multi-scale Simulations of Novel Nanomaterials

DTIC Science & Technology

2014-09-15

schemes for multiscale modeling of polymers. Permselective ion-exchange membranes for protective clothing, fuel cells , and batteries are of special...polyelectrolyte membranes ( PEM ) with chemical warfare agents (CWA) and their simulants and (2) development of new simulation methods and computational...chemical potential using gauge cell method and calculation of density profiles. However, the code does not run in parallel environments. For mesoscale

Laser 3D micro-manufacturing

NASA Astrophysics Data System (ADS)

Piqué, Alberto; Auyeung, Raymond C. Y.; Kim, Heungsoo; Charipar, Nicholas A.; Mathews, Scott A.

2016-06-01

Laser-based materials processing techniques are gaining widespread use in micro-manufacturing applications. The use of laser microfabrication techniques enables the processing of micro- and nanostructures from a wide range of materials and geometries without the need for masking and etching steps commonly associated with photolithography. This review aims to describe the broad applications space covered by laser-based micro- and nanoprocessing techniques and the benefits offered by the use of lasers in micro-manufacturing processes. Given their non-lithographic nature, these processes are also referred to as laser direct-write and constitute some of the earliest demonstrations of 3D printing or additive manufacturing at the microscale. As this review will show, the use of lasers enables precise control of the various types of processing steps—from subtractive to additive—over a wide range of scales with an extensive materials palette. Overall, laser-based direct-write techniques offer multiple modes of operation including the removal (via ablative processes) and addition (via photopolymerization or printing) of most classes of materials using the same equipment in many cases. The versatility provided by these multi-function, multi-material and multi-scale laser micro-manufacturing processes cannot be matched by photolithography nor with other direct-write microfabrication techniques and offer unique opportunities for current and future 3D micro-manufacturing applications.

The variability of the BRITE-est Wolf-Rayet binary, γ2 Velorum-I. Photometric and spectroscopic evidence for colliding winds

NASA Astrophysics Data System (ADS)

Richardson, Noel D.; Russell, Christopher M. P.; St-Jean, Lucas; Moffat, Anthony F. J.; St-Louis, Nicole; Shenar, Tomer; Pablo, Herbert; Hill, Grant M.; Ramiaramanantsoa, Tahina; Corcoran, Michael; Hamuguchi, Kenji; Eversberg, Thomas; Miszalski, Brent; Chené, André-Nicolas; Waldron, Wayne; Kotze, Enrico J.; Kotze, Marissa M.; Luckas, Paul; Cacella, Paulo; Heathcote, Bernard; Powles, Jonathan; Bohlsen, Terry; Locke, Malcolm; Handler, Gerald; Kuschnig, Rainer; Pigulski, Andrzej; Popowicz, Adam; Wade, Gregg A.; Weiss, Werner W.

2017-11-01

We report on the first multi-colour precision light curve of the bright Wolf-Rayet binary γ2 Velorum, obtained over six months with the nanosatellites in the BRITE-Constellation fleet. In parallel, we obtained 488 high-resolution optical spectra of the system. In this first report on the data sets, we revise the spectroscopic orbit and report on the bulk properties of the colliding winds. We find a dependence of both the light curve and excess emission properties that scales with the inverse of the binary separation. When analysing the spectroscopic properties in combination with the photometry, we find that the phase dependence is caused only by excess emission in the lines, and not from a changing continuum. We also detect a narrow, high-velocity absorption component from the He I λ5876 transition, which appears twice in the orbit. We calculate smoothed-particle hydrodynamical simulations of the colliding winds and can accurately associate the absorption from He I to the leading and trailing arms of the wind shock cone passing tangentially through our line of sight. The simulations also explain the general strength and kinematics of the emission excess observed in wind lines such as C III λ5696 of the system. These results represent the first in a series of investigations into the winds and properties of γ2 Velorum through multi-technique and multi-wavelength observational campaigns.

Development of an Image-based Multi-Scale Finite Element Approach to Predict Fatigue Damage in Asphalt Mixtures

NASA Astrophysics Data System (ADS)

Arshadi, Amir

Image-based simulation of complex materials is a very important tool for understanding their mechanical behavior and an effective tool for successful design of composite materials. In this thesis an image-based multi-scale finite element approach is developed to predict the mechanical properties of asphalt mixtures. In this approach the "up-scaling" and homogenization of each scale to the next is critically designed to improve accuracy. In addition to this multi-scale efficiency, this study introduces an approach for consideration of particle contacts at each of the scales in which mineral particles exist. One of the most important pavement distresses which seriously affects the pavement performance is fatigue cracking. As this cracking generally takes place in the binder phase of the asphalt mixture, the binder fatigue behavior is assumed to be one of the main factors influencing the overall pavement fatigue performance. It is also known that aggregate gradation, mixture volumetric properties, and filler type and concentration can affect damage initiation and progression in the asphalt mixtures. This study was conducted to develop a tool to characterize the damage properties of the asphalt mixtures at all scales. In the present study the Viscoelastic continuum damage model is implemented into the well-known finite element software ABAQUS via the user material subroutine (UMAT) in order to simulate the state of damage in the binder phase under the repeated uniaxial sinusoidal loading. The inputs are based on the experimentally derived measurements for the binder properties. For the scales of mastic and mortar, the artificially 2-Dimensional images of mastic and mortar scales were generated and used to characterize the properties of those scales. Finally, the 2D scanned images of asphalt mixtures are used to study the asphalt mixture fatigue behavior under loading. In order to validate the proposed model, the experimental test results and the simulation results were compared. Indirect tensile fatigue tests were conducted on asphalt mixture samples. A comparison between experimental results and the results from simulation shows that the model developed in this study is capable of predicting the effect of asphalt binder properties and aggregate micro-structure on mechanical behavior of asphalt concrete under loading.

Tackling some of the most intricate geophysical challenges via high-performance computing

NASA Astrophysics Data System (ADS)

Khosronejad, A.

2016-12-01

Recently, world has been witnessing significant enhancements in computing power of supercomputers. Computer clusters in conjunction with the advanced mathematical algorithms has set the stage for developing and applying powerful numerical tools to tackle some of the most intricate geophysical challenges that today`s engineers face. One such challenge is to understand how turbulent flows, in real-world settings, interact with (a) rigid and/or mobile complex bed bathymetry of waterways and sea-beds in the coastal areas; (b) objects with complex geometry that are fully or partially immersed; and (c) free-surface of waterways and water surface waves in the coastal area. This understanding is especially important because the turbulent flows in real-world environments are often bounded by geometrically complex boundaries, which dynamically deform and give rise to multi-scale and multi-physics transport phenomena, and characterized by multi-lateral interactions among various phases (e.g. air/water/sediment phases). Herein, I present some of the multi-scale and multi-physics geophysical fluid mechanics processes that I have attempted to study using an in-house high-performance computational model, the so-called VFS-Geophysics. More specifically, I will present the simulation results of turbulence/sediment/solute/turbine interactions in real-world settings. Parts of the simulations I present are performed to gain scientific insights into the processes such as sand wave formation (A. Khosronejad, and F. Sotiropoulos, (2014), Numerical simulation of sand waves in a turbulent open channel flow, Journal of Fluid Mechanics, 753:150-216), while others are carried out to predict the effects of climate change and large flood events on societal infrastructures ( A. Khosronejad, et al., (2016), Large eddy simulation of turbulence and solute transport in a forested headwater stream, Journal of Geophysical Research:, doi: 10.1002/2014JF003423).

Multi-scale approach to the modeling of fission gas discharge during hypothetical loss-of-flow accident in gen-IV sodium fast reactor

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

Behafarid, F.; Shaver, D. R.; Bolotnov, I. A.

The required technological and safety standards for future Gen IV Reactors can only be achieved if advanced simulation capabilities become available, which combine high performance computing with the necessary level of modeling detail and high accuracy of predictions. The purpose of this paper is to present new results of multi-scale three-dimensional (3D) simulations of the inter-related phenomena, which occur as a result of fuel element heat-up and cladding failure, including the injection of a jet of gaseous fission products into a partially blocked Sodium Fast Reactor (SFR) coolant channel, and gas/molten sodium transport along the coolant channels. The computational approachmore » to the analysis of the overall accident scenario is based on using two different inter-communicating computational multiphase fluid dynamics (CMFD) codes: a CFD code, PHASTA, and a RANS code, NPHASE-CMFD. Using the geometry and time history of cladding failure and the gas injection rate, direct numerical simulations (DNS), combined with the Level Set method, of two-phase turbulent flow have been performed by the PHASTA code. The model allows one to track the evolution of gas/liquid interfaces at a centimeter scale. The simulated phenomena include the formation and breakup of the jet of fission products injected into the liquid sodium coolant. The PHASTA outflow has been averaged over time to obtain mean phasic velocities and volumetric concentrations, as well as the liquid turbulent kinetic energy and turbulence dissipation rate, all of which have served as the input to the core-scale simulations using the NPHASE-CMFD code. A sliding window time averaging has been used to capture mean flow parameters for transient cases. The results presented in the paper include testing and validation of the proposed models, as well the predictions of fission-gas/liquid-sodium transport along a multi-rod fuel assembly of SFR during a partial loss-of-flow accident. (authors)« less

A Method for Modeling the Intrinsic Dynamics of Intraindividual Variability: Recovering the Parameters of Simulated Oscillators in Multi-Wave Panel Data.

ERIC Educational Resources Information Center

Boker, Steven M.; Nesselroade, John R.

2002-01-01

Examined two methods for fitting models of intrinsic dynamics to intraindividual variability data by testing these techniques' behavior in equations through simulation studies. Among the main results is the demonstration that a local linear approximation of derivatives can accurately recover the parameters of a simulated linear oscillator, with…

Spectral Eclipse Timing

NASA Astrophysics Data System (ADS)

Dobbs-Dixon, Ian; Agol, Eric; Deming, Drake

2015-12-01

We utilize multi-dimensional simulations of varying equatorial jet strength to predict wavelength-dependent variations in the eclipse times of gas-giant planets. A displaced hot spot introduces an asymmetry in the secondary eclipse light curve that manifests itself as a measured offset in the timing of the center of eclipse. A multi-wavelength observation of secondary eclipse, one probing the timing of barycentric eclipse at short wavelengths and another probing at longer wavelengths, will reveal the longitudinal displacement of the hot spot and break the degeneracy between this effect and that associated with the asymmetry due to an eccentric orbit. The effect of time offsets was first explored in the IRAC wavebands by Williams et al. Here we improve upon their methodology, extend to a broad range of wavelengths, and demonstrate our technique on a series of multi-dimensional radiative-hydrodynamical simulations of HD 209458b with varying equatorial jet strength and hot-spot displacement. Simulations with the largest hot-spot displacement result in timing offsets of up to 100 s in the infrared. Though we utilize a particular radiative hydrodynamical model to demonstrate this effect, the technique is model independent. This technique should allow a much larger survey of hot-spot displacements with the James Webb Space Telescope than currently accessible with time-intensive phase curves, hopefully shedding light on the physical mechanisms associated with thermal energy advection in irradiated gas giants.

NASA's Information Power Grid: Large Scale Distributed Computing and Data Management

NASA Technical Reports Server (NTRS)

Johnston, William E.; Vaziri, Arsi; Hinke, Tom; Tanner, Leigh Ann; Feiereisen, William J.; Thigpen, William; Tang, Harry (Technical Monitor)

2001-01-01

Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for Grids is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. Multi-disciplinary simulations provide a good example of a class of applications that are very likely to require aggregation of widely distributed computing, data, and intellectual resources. Such simulations - e.g. whole system aircraft simulation and whole system living cell simulation - require integrating applications and data that are developed by different teams of researchers frequently in different locations. The research team's are the only ones that have the expertise to maintain and improve the simulation code and/or the body of experimental data that drives the simulations. This results in an inherently distributed computing and data management environment.

Scalable Methods for Uncertainty Quantification, Data Assimilation and Target Accuracy Assessment for Multi-Physics Advanced Simulation of Light Water Reactors

NASA Astrophysics Data System (ADS)

Khuwaileh, Bassam

High fidelity simulation of nuclear reactors entails large scale applications characterized with high dimensionality and tremendous complexity where various physics models are integrated in the form of coupled models (e.g. neutronic with thermal-hydraulic feedback). Each of the coupled modules represents a high fidelity formulation of the first principles governing the physics of interest. Therefore, new developments in high fidelity multi-physics simulation and the corresponding sensitivity/uncertainty quantification analysis are paramount to the development and competitiveness of reactors achieved through enhanced understanding of the design and safety margins. Accordingly, this dissertation introduces efficient and scalable algorithms for performing efficient Uncertainty Quantification (UQ), Data Assimilation (DA) and Target Accuracy Assessment (TAA) for large scale, multi-physics reactor design and safety problems. This dissertation builds upon previous efforts for adaptive core simulation and reduced order modeling algorithms and extends these efforts towards coupled multi-physics models with feedback. The core idea is to recast the reactor physics analysis in terms of reduced order models. This can be achieved via identifying the important/influential degrees of freedom (DoF) via the subspace analysis, such that the required analysis can be recast by considering the important DoF only. In this dissertation, efficient algorithms for lower dimensional subspace construction have been developed for single physics and multi-physics applications with feedback. Then the reduced subspace is used to solve realistic, large scale forward (UQ) and inverse problems (DA and TAA). Once the elite set of DoF is determined, the uncertainty/sensitivity/target accuracy assessment and data assimilation analysis can be performed accurately and efficiently for large scale, high dimensional multi-physics nuclear engineering applications. Hence, in this work a Karhunen-Loeve (KL) based algorithm previously developed to quantify the uncertainty for single physics models is extended for large scale multi-physics coupled problems with feedback effect. Moreover, a non-linear surrogate based UQ approach is developed, used and compared to performance of the KL approach and brute force Monte Carlo (MC) approach. On the other hand, an efficient Data Assimilation (DA) algorithm is developed to assess information about model's parameters: nuclear data cross-sections and thermal-hydraulics parameters. Two improvements are introduced in order to perform DA on the high dimensional problems. First, a goal-oriented surrogate model can be used to replace the original models in the depletion sequence (MPACT -- COBRA-TF - ORIGEN). Second, approximating the complex and high dimensional solution space with a lower dimensional subspace makes the sampling process necessary for DA possible for high dimensional problems. Moreover, safety analysis and design optimization depend on the accurate prediction of various reactor attributes. Predictions can be enhanced by reducing the uncertainty associated with the attributes of interest. Accordingly, an inverse problem can be defined and solved to assess the contributions from sources of uncertainty; and experimental effort can be subsequently directed to further improve the uncertainty associated with these sources. In this dissertation a subspace-based gradient-free and nonlinear algorithm for inverse uncertainty quantification namely the Target Accuracy Assessment (TAA) has been developed and tested. The ideas proposed in this dissertation were first validated using lattice physics applications simulated using SCALE6.1 package (Pressurized Water Reactor (PWR) and Boiling Water Reactor (BWR) lattice models). Ultimately, the algorithms proposed her were applied to perform UQ and DA for assembly level (CASL progression problem number 6) and core wide problems representing Watts Bar Nuclear 1 (WBN1) for cycle 1 of depletion (CASL Progression Problem Number 9) modeled via simulated using VERA-CS which consists of several multi-physics coupled models. The analysis and algorithms developed in this dissertation were encoded and implemented in a newly developed tool kit algorithms for Reduced Order Modeling based Uncertainty/Sensitivity Estimator (ROMUSE).

Enhancing multi-spot structured illumination microscopy with fluorescence difference

PubMed Central

Torkelsen, Frida H.

2018-01-01

Structured illumination microscopy is a super-resolution technique used extensively in biological research. However, this technique is limited in the maximum possible resolution increase. Here we report the results of simulations of a novel enhanced multi-spot structured illumination technique. This method combines the super-resolution technique of difference microscopy with structured illumination deconvolution. Initial results give at minimum a 1.4-fold increase in resolution over conventional structured illumination in a low-noise environment. This new technique also has the potential to be expanded to further enhance axial resolution with three-dimensional difference microscopy. The requirement for precise pattern determination in this technique also led to the development of a new pattern estimation algorithm which proved more efficient and reliable than other methods tested. PMID:29657751

Mono and multi-objective optimization techniques applied to a large range of industrial test cases using Metamodel assisted Evolutionary Algorithms

NASA Astrophysics Data System (ADS)

Fourment, Lionel; Ducloux, Richard; Marie, Stéphane; Ejday, Mohsen; Monnereau, Dominique; Massé, Thomas; Montmitonnet, Pierre

2010-06-01

The use of material processing numerical simulation allows a strategy of trial and error to improve virtual processes without incurring material costs or interrupting production and therefore save a lot of money, but it requires user time to analyze the results, adjust the operating conditions and restart the simulation. Automatic optimization is the perfect complement to simulation. Evolutionary Algorithm coupled with metamodelling makes it possible to obtain industrially relevant results on a very large range of applications within a few tens of simulations and without any specific automatic optimization technique knowledge. Ten industrial partners have been selected to cover the different area of the mechanical forging industry and provide different examples of the forming simulation tools. It aims to demonstrate that it is possible to obtain industrially relevant results on a very large range of applications within a few tens of simulations and without any specific automatic optimization technique knowledge. The large computational time is handled by a metamodel approach. It allows interpolating the objective function on the entire parameter space by only knowing the exact function values at a reduced number of "master points". Two algorithms are used: an evolution strategy combined with a Kriging metamodel and a genetic algorithm combined with a Meshless Finite Difference Method. The later approach is extended to multi-objective optimization. The set of solutions, which corresponds to the best possible compromises between the different objectives, is then computed in the same way. The population based approach allows using the parallel capabilities of the utilized computer with a high efficiency. An optimization module, fully embedded within the Forge2009 IHM, makes possible to cover all the defined examples, and the use of new multi-core hardware to compute several simulations at the same time reduces the needed time dramatically. The presented examples demonstrate the method versatility. They include billet shape optimization of a common rail, the cogging of a bar and a wire drawing problem.

Ability of an ensemble of regional climate models to reproduce weather regimes over Europe-Atlantic during the period 1961-2000

NASA Astrophysics Data System (ADS)

Sanchez-Gomez, Emilia; Somot, S.; Déqué, M.

2009-10-01

One of the main concerns in regional climate modeling is to which extent limited-area regional climate models (RCM) reproduce the large-scale atmospheric conditions of their driving general circulation model (GCM). In this work we investigate the ability of a multi-model ensemble of regional climate simulations to reproduce the large-scale weather regimes of the driving conditions. The ensemble consists of a set of 13 RCMs on a European domain, driven at their lateral boundaries by the ERA40 reanalysis for the time period 1961-2000. Two sets of experiments have been completed with horizontal resolutions of 50 and 25 km, respectively. The spectral nudging technique has been applied to one of the models within the ensemble. The RCMs reproduce the weather regimes behavior in terms of composite pattern, mean frequency of occurrence and persistence reasonably well. The models also simulate well the long-term trends and the inter-annual variability of the frequency of occurrence. However, there is a non-negligible spread among the models which is stronger in summer than in winter. This spread is due to two reasons: (1) we are dealing with different models and (2) each RCM produces an internal variability. As far as the day-to-day weather regime history is concerned, the ensemble shows large discrepancies. At daily time scale, the model spread has also a seasonal dependence, being stronger in summer than in winter. Results also show that the spectral nudging technique improves the model performance in reproducing the large-scale of the driving field. In addition, the impact of increasing the number of grid points has been addressed by comparing the 25 and 50 km experiments. We show that the horizontal resolution does not affect significantly the model performance for large-scale circulation.

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

Zhu, Lin; Dai, Zhenxue; Gong, Huili

Understanding the heterogeneity arising from the complex architecture of sedimentary sequences in alluvial fans is challenging. This study develops a statistical inverse framework in a multi-zone transition probability approach for characterizing the heterogeneity in alluvial fans. An analytical solution of the transition probability matrix is used to define the statistical relationships among different hydrofacies and their mean lengths, integral scales, and volumetric proportions. A statistical inversion is conducted to identify the multi-zone transition probability models and estimate the optimal statistical parameters using the modified Gauss–Newton–Levenberg–Marquardt method. The Jacobian matrix is computed by the sensitivity equation method, which results in anmore » accurate inverse solution with quantification of parameter uncertainty. We use the Chaobai River alluvial fan in the Beijing Plain, China, as an example for elucidating the methodology of alluvial fan characterization. The alluvial fan is divided into three sediment zones. In each zone, the explicit mathematical formulations of the transition probability models are constructed with optimized different integral scales and volumetric proportions. The hydrofacies distributions in the three zones are simulated sequentially by the multi-zone transition probability-based indicator simulations. Finally, the result of this study provides the heterogeneous structure of the alluvial fan for further study of flow and transport simulations.« less

Traffic Simulations on Parallel Computers Using Domain Decomposition Techniques

DOT National Transportation Integrated Search

1995-01-01

Large scale simulations of Intelligent Transportation Systems (ITS) can only be acheived by using the computing resources offered by parallel computing architectures. Domain decomposition techniques are proposed which allow the performance of traffic...

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

Computational Challenges in the Analysis of Petrophysics Using Microtomography and Upscaling

NASA Astrophysics Data System (ADS)

Liu, J.; Pereira, G.; Freij-Ayoub, R.; Regenauer-Lieb, K.

2014-12-01

Microtomography provides detailed 3D internal structures of rocks in micro- to tens of nano-meter resolution and is quickly turning into a new technology for studying petrophysical properties of materials. An important step is the upscaling of these properties as micron or sub-micron resolution can only be done on the sample-scale of millimeters or even less than a millimeter. We present here a recently developed computational workflow for the analysis of microstructures including the upscaling of material properties. Computations of properties are first performed using conventional material science simulations at micro to nano-scale. The subsequent upscaling of these properties is done by a novel renormalization procedure based on percolation theory. We have tested the workflow using different rock samples, biological and food science materials. We have also applied the technique on high-resolution time-lapse synchrotron CT scans. In this contribution we focus on the computational challenges that arise from the big data problem of analyzing petrophysical properties and its subsequent upscaling. We discuss the following challenges: 1) Characterization of microtomography for extremely large data sets - our current capability. 2) Computational fluid dynamics simulations at pore-scale for permeability estimation - methods, computing cost and accuracy. 3) Solid mechanical computations at pore-scale for estimating elasto-plastic properties - computational stability, cost, and efficiency. 4) Extracting critical exponents from derivative models for scaling laws - models, finite element meshing, and accuracy. Significant progress in each of these challenges is necessary to transform microtomography from the current research problem into a robust computational big data tool for multi-scale scientific and engineering problems.

Constructing Neuronal Network Models in Massively Parallel Environments.

PubMed

Ippen, Tammo; Eppler, Jochen M; Plesser, Hans E; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers.

Constructing Neuronal Network Models in Massively Parallel Environments

PubMed Central

Ippen, Tammo; Eppler, Jochen M.; Plesser, Hans E.; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers. PMID:28559808

Multi-scales region segmentation for ROI separation in digital mammograms

NASA Astrophysics Data System (ADS)

Zhang, Dapeng; Zhang, Di; Li, Yue; Wang, Wei

2017-02-01

Mammography is currently the most effective imaging modality used by radiologists for the screening of breast cancer. Segmentation is one of the key steps in the process of developing anatomical models for calculation of safe medical dose of radiation. This paper explores the potential of the statistical region merging segmentation technique for Breast segmentation in digital mammograms. First, the mammograms are pre-processing for regions enhancement, then the enhanced images are segmented using SRM with multi scales, finally these segmentations are combined for region of interest (ROI) separation and edge detection. The proposed algorithm uses multi-scales region segmentation in order to: separate breast region from background region, region edge detection and ROIs separation. The experiments are performed using a data set of mammograms from different patients, demonstrating the validity of the proposed criterion. Results show that, the statistical region merging segmentation algorithm actually can work on the segmentation of medical image and more accurate than another methods. And the outcome shows that the technique has a great potential to become a method of choice for segmentation of mammograms.

Video Processes in Teacher Education Programs; Scope, Techniques, and Assessment. Multi-State Teacher Education Project, Monograph III.

ERIC Educational Resources Information Center

Bosley, Howard E.; And Others

"Video Processes Are Changing Teacher Education" by Howard Bosley (the first of five papers comprising this document) discusses the Multi-State Teacher Education Project (M-STEP) experimentation with media; it lists various uses of video processes, concentrating specifically on microteaching and the use of simulation and critical…

Adaptive Multi-Layer LMS Controller Design and Application to Active Vibration Suppression on a Truss and Proposed Impact Analysis Technique

DTIC Science & Technology

2001-06-01

Setup and Initiation ........................................................ 83 2. Simulation 1 (19 Hz, Y-axis of Node 18, Piezo #2...175 INITIAL DISTRIBUTION LIST ................................................................................... 187 ix...system for the sake of testing and simplicity. The Adaptive Multi-Layered LMS Controller was developed one piece at a time. After initial experimental

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Fu, Yao; Song, Jeong-Hoon

2014-08-01

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

Multi-AUV autonomous task planning based on the scroll time domain quantum bee colony optimization algorithm in uncertain environment

PubMed Central

Zhang, Rubo; Yang, Yu

2017-01-01

Research on distributed task planning model for multi-autonomous underwater vehicle (MAUV). A scroll time domain quantum artificial bee colony (STDQABC) optimization algorithm is proposed to solve the multi-AUV optimal task planning scheme. In the uncertain marine environment, the rolling time domain control technique is used to realize a numerical optimization in a narrowed time range. Rolling time domain control is one of the better task planning techniques, which can greatly reduce the computational workload and realize the tradeoff between AUV dynamics, environment and cost. Finally, a simulation experiment was performed to evaluate the distributed task planning performance of the scroll time domain quantum bee colony optimization algorithm. The simulation results demonstrate that the STDQABC algorithm converges faster than the QABC and ABC algorithms in terms of both iterations and running time. The STDQABC algorithm can effectively improve MAUV distributed tasking planning performance, complete the task goal and get the approximate optimal solution. PMID:29186166

Multi-AUV autonomous task planning based on the scroll time domain quantum bee colony optimization algorithm in uncertain environment.

PubMed

Li, Jianjun; Zhang, Rubo; Yang, Yu

2017-01-01

Research on distributed task planning model for multi-autonomous underwater vehicle (MAUV). A scroll time domain quantum artificial bee colony (STDQABC) optimization algorithm is proposed to solve the multi-AUV optimal task planning scheme. In the uncertain marine environment, the rolling time domain control technique is used to realize a numerical optimization in a narrowed time range. Rolling time domain control is one of the better task planning techniques, which can greatly reduce the computational workload and realize the tradeoff between AUV dynamics, environment and cost. Finally, a simulation experiment was performed to evaluate the distributed task planning performance of the scroll time domain quantum bee colony optimization algorithm. The simulation results demonstrate that the STDQABC algorithm converges faster than the QABC and ABC algorithms in terms of both iterations and running time. The STDQABC algorithm can effectively improve MAUV distributed tasking planning performance, complete the task goal and get the approximate optimal solution.

Multiresonant layered plasmonic films

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

DeVetter, Brent M.; Bernacki, Bruce E.; Bennett, Wendy D.

Multi-resonant nanoplasmonic films have numerous applications in areas such as nonlinear optics, sensing, and tamper indication. While techniques such as focused ion beam milling and electron beam lithography can produce high-quality multi-resonant films, these techniques are expensive, serial processes that are difficult to scale at the manufacturing level. Here, we present the fabrication of multi-resonant nanoplasmonic films using a layered stacking technique. Periodically-spaced gold nanocup substrates were fabricated using self-assembled polystyrene nanospheres followed by oxygen plasma etching and metal deposition via magnetron sputter coating. By adjusting etch parameters and initial nanosphere size, it was possible to achieve an optical responsemore » ranging from the visible to the near-infrared. Singly resonant, flexible films were first made by performing peel-off using an adhesive-coated polyolefin film. Through stacking layers of the nanofilm, we demonstrate fabrication of multi-resonant films at a fraction of the cost and effort as compared to top-down lithographic techniques.« less

Advanced graphical user interface for multi-physics simulations using AMST

NASA Astrophysics Data System (ADS)

Hoffmann, Florian; Vogel, Frank

2017-07-01

Numerical modelling of particulate matter has gained much popularity in recent decades. Advanced Multi-physics Simulation Technology (AMST) is a state-of-the-art three dimensional numerical modelling technique combining the eX-tended Discrete Element Method (XDEM) with Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) [1]. One major limitation of this code is the lack of a graphical user interface (GUI) meaning that all pre-processing has to be made directly in a HDF5-file. This contribution presents the first graphical pre-processor developed for AMST.

Using multi-scale entropy and principal component analysis to monitor gears degradation via the motor current signature analysis

NASA Astrophysics Data System (ADS)

Aouabdi, Salim; Taibi, Mahmoud; Bouras, Slimane; Boutasseta, Nadir

2017-06-01

This paper describes an approach for identifying localized gear tooth defects, such as pitting, using phase currents measured from an induction machine driving the gearbox. A new tool of anomaly detection based on multi-scale entropy (MSE) algorithm SampEn which allows correlations in signals to be identified over multiple time scales. The motor current signature analysis (MCSA) in conjunction with principal component analysis (PCA) and the comparison of observed values with those predicted from a model built using nominally healthy data. The Simulation results show that the proposed method is able to detect gear tooth pitting in current signals.

Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry: Spray Simulations

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

Rutland, Christopher J.

2009-04-26

The Terascale High-Fidelity Simulations of Turbulent Combustion (TSTC) project is a multi-university collaborative effort to develop a high-fidelity turbulent reacting flow simulation capability utilizing terascale, massively parallel computer technology. The main paradigm of the approach is direct numerical simulation (DNS) featuring the highest temporal and spatial accuracy, allowing quantitative observations of the fine-scale physics found in turbulent reacting flows as well as providing a useful tool for development of sub-models needed in device-level simulations. Under this component of the TSTC program the simulation code named S3D, developed and shared with coworkers at Sandia National Laboratories, has been enhanced with newmore » numerical algorithms and physical models to provide predictive capabilities for turbulent liquid fuel spray dynamics. Major accomplishments include improved fundamental understanding of mixing and auto-ignition in multi-phase turbulent reactant mixtures and turbulent fuel injection spray jets.« less

Arrhythmic risk biomarkers for the assessment of drug cardiotoxicity: from experiments to computer simulations

PubMed Central

Corrias, A.; Jie, X.; Romero, L.; Bishop, M. J.; Bernabeu, M.; Pueyo, E.; Rodriguez, B.

2010-01-01

In this paper, we illustrate how advanced computational modelling and simulation can be used to investigate drug-induced effects on cardiac electrophysiology and on specific biomarkers of pro-arrhythmic risk. To do so, we first perform a thorough literature review of proposed arrhythmic risk biomarkers from the ionic to the electrocardiogram levels. The review highlights the variety of proposed biomarkers, the complexity of the mechanisms of drug-induced pro-arrhythmia and the existence of significant animal species differences in drug-induced effects on cardiac electrophysiology. Predicting drug-induced pro-arrhythmic risk solely using experiments is challenging both preclinically and clinically, as attested by the rise in the cost of releasing new compounds to the market. Computational modelling and simulation has significantly contributed to the understanding of cardiac electrophysiology and arrhythmias over the last 40 years. In the second part of this paper, we illustrate how state-of-the-art open source computational modelling and simulation tools can be used to simulate multi-scale effects of drug-induced ion channel block in ventricular electrophysiology at the cellular, tissue and whole ventricular levels for different animal species. We believe that the use of computational modelling and simulation in combination with experimental techniques could be a powerful tool for the assessment of drug safety pharmacology. PMID:20478918

On the predictivity of pore-scale simulations: Estimating uncertainties with multilevel Monte Carlo

NASA Astrophysics Data System (ADS)

Icardi, Matteo; Boccardo, Gianluca; Tempone, Raúl

2016-09-01

A fast method with tunable accuracy is proposed to estimate errors and uncertainties in pore-scale and Digital Rock Physics (DRP) problems. The overall predictivity of these studies can be, in fact, hindered by many factors including sample heterogeneity, computational and imaging limitations, model inadequacy and not perfectly known physical parameters. The typical objective of pore-scale studies is the estimation of macroscopic effective parameters such as permeability, effective diffusivity and hydrodynamic dispersion. However, these are often non-deterministic quantities (i.e., results obtained for specific pore-scale sample and setup are not totally reproducible by another ;equivalent; sample and setup). The stochastic nature can arise due to the multi-scale heterogeneity, the computational and experimental limitations in considering large samples, and the complexity of the physical models. These approximations, in fact, introduce an error that, being dependent on a large number of complex factors, can be modeled as random. We propose a general simulation tool, based on multilevel Monte Carlo, that can reduce drastically the computational cost needed for computing accurate statistics of effective parameters and other quantities of interest, under any of these random errors. This is, to our knowledge, the first attempt to include Uncertainty Quantification (UQ) in pore-scale physics and simulation. The method can also provide estimates of the discretization error and it is tested on three-dimensional transport problems in heterogeneous materials, where the sampling procedure is done by generation algorithms able to reproduce realistic consolidated and unconsolidated random sphere and ellipsoid packings and arrangements. A totally automatic workflow is developed in an open-source code [1], that include rigid body physics and random packing algorithms, unstructured mesh discretization, finite volume solvers, extrapolation and post-processing techniques. The proposed method can be efficiently used in many porous media applications for problems such as stochastic homogenization/upscaling, propagation of uncertainty from microscopic fluid and rock properties to macro-scale parameters, robust estimation of Representative Elementary Volume size for arbitrary physics.

Flood modelling with global precipitation measurement (GPM) satellite rainfall data: a case study of Dehradun, Uttarakhand, India

NASA Astrophysics Data System (ADS)

Sai Krishna, V. V.; Dikshit, Anil Kumar; Pandey, Kamal

2016-05-01

Urban expansion, water bodies and climate change are inextricably linked with each other. The macro and micro level climate changes are leading to extreme precipitation events which have severe consequences on flooding in urban areas. Flood simulations shall be helpful in demarcation of flooded areas and effective flood planning and preparedness. The temporal availability of satellite rainfall data at varying spatial scale of 0.10 to 0.50 is helpful in near real time flood simulations. The present research aims at analysing stream flow and runoff to monitor flood condition using satellite rainfall data in a hydrologic model. The satellite rainfall data used in the research was NASA's Integrated Multi-satellite Retrievals for Global Precipitation Measurement (IMERG), which is available at 30 minutes temporal resolution. Landsat data was used for mapping the water bodies in the study area. Land use land cover (LULC) data was prepared using Landsat 8 data with maximum likelihood technique that was provided as an input to the HEC-HMS hydrological model. The research was applied to one of the urbanized cities of India, viz. Dehradun, which is the capital of Uttarakhand State. The research helped in identifying the flood vulnerability at the basin level on the basis of the runoff and various socio economic parameters using multi criteria analysis.

COMPUTATIONAL CHALLENGES IN BUILDING MULTI-SCALE AND MULTI-PHYSICS MODELS OF CARDIAC ELECTRO-MECHANICS

PubMed Central

Plank, G; Prassl, AJ; Augustin, C

2014-01-01

Despite the evident multiphysics nature of the heart – it is an electrically controlled mechanical pump – most modeling studies considered electrophysiology and mechanics in isolation. In no small part, this is due to the formidable modeling challenges involved in building strongly coupled anatomically accurate and biophyically detailed multi-scale multi-physics models of cardiac electro-mechanics. Among the main challenges are the selection of model components and their adjustments to achieve integration into a consistent organ-scale model, dealing with technical difficulties such as the exchange of data between electro-physiological and mechanical model, particularly when using different spatio-temporal grids for discretization, and, finally, the implementation of advanced numerical techniques to deal with the substantial computational. In this study we report on progress made in developing a novel modeling framework suited to tackle these challenges. PMID:24043050

Cells, Agents, and Support Vectors in Interaction - Modeling Urban Sprawl based on Machine Learning and Artificial Intelligence Techniques in a Post-Industrial Region

NASA Astrophysics Data System (ADS)

Rienow, A.; Menz, G.

2015-12-01

Since the beginning of the millennium, artificial intelligence techniques as cellular automata (CA) and multi-agent systems (MAS) have been incorporated into land-system simulations to address the complex challenges of transitions in urban areas as open, dynamic systems. The study presents a hybrid modeling approach for modeling the two antagonistic processes of urban sprawl and urban decline at once. The simulation power of support vector machines (SVM), cellular automata (CA) and multi-agent systems (MAS) are integrated into one modeling framework and applied to the largest agglomeration of Central Europe: the Ruhr. A modified version of SLEUTH (short for Slope, Land-use, Exclusion, Urban, Transport, and Hillshade) functions as the CA component. SLEUTH makes use of historic urban land-use data sets and growth coefficients for the purpose of modeling physical urban expansion. The machine learning algorithm of SVM is applied in order to enhance SLEUTH. Thus, the stochastic variability of the CA is reduced and information about the human and ecological forces driving the local suitability of urban sprawl is incorporated. Subsequently, the supported CA is coupled with the MAS ReHoSh (Residential Mobility and the Housing Market of Shrinking City Systems). The MAS models population patterns, housing prices, and housing demand in shrinking regions based on interactions between household and city agents. Semi-explicit urban weights are introduced as a possibility of modeling from and to the pixel simultaneously. Three scenarios of changing housing preferences reveal the urban development of the region in terms of quantity and location. They reflect the dissemination of sustainable thinking among stakeholders versus the steady dream of owning a house in sub- and exurban areas. Additionally, the outcomes are transferred into a digital petri dish reflecting a synthetic environment with perfect conditions of growth. Hence, the generic growth elements affecting the future face of post-industrial cities are revealed. Finally, the advantages and limitations of linking pixels and people by combining AI and machine learning techniques in a multi-scale geosimulation approach are to be discussed.

Simulation/Emulation Techniques: Compressing Schedules With Parallel (HW/SW) Development

NASA Technical Reports Server (NTRS)

Mangieri, Mark L.; Hoang, June

2014-01-01

NASA has always been in the business of balancing new technologies and techniques to achieve human space travel objectives. NASA's Kedalion engineering analysis lab has been validating and using many contemporary avionics HW/SW development and integration techniques, which represent new paradigms to NASA's heritage culture. Kedalion has validated many of the Orion HW/SW engineering techniques borrowed from the adjacent commercial aircraft avionics solution space, inserting new techniques and skills into the Multi - Purpose Crew Vehicle (MPCV) Orion program. Using contemporary agile techniques, Commercial-off-the-shelf (COTS) products, early rapid prototyping, in-house expertise and tools, and extensive use of simulators and emulators, NASA has achieved cost effective paradigms that are currently serving the Orion program effectively. Elements of long lead custom hardware on the Orion program have necessitated early use of simulators and emulators in advance of deliverable hardware to achieve parallel design and development on a compressed schedule.

Pattern optimizing verification of self-align quadruple patterning

NASA Astrophysics Data System (ADS)

Yamato, Masatoshi; Yamada, Kazuki; Oyama, Kenichi; Hara, Arisa; Natori, Sakurako; Yamauchi, Shouhei; Koike, Kyohei; Yaegashi, Hidetami

2017-03-01

Lithographic scaling continues to advance by extending the life of 193nm immersion technology, and spacer-type multi-patterning is undeniably the driving force behind this trend. Multi-patterning techniques such as self-aligned double patterning (SADP) and self-aligned quadruple patterning (SAQP) have come to be used in memory devices, and they have also been adopted in logic devices to create constituent patterns in the formation of 1D layout designs. Multi-patterning has consequently become an indispensible technology in the fabrication of all advanced devices. In general, items that must be managed when using multi-patterning include critical dimension uniformity (CDU), line edge roughness (LER), and line width roughness (LWR). Recently, moreover, there has been increasing focus on judging and managing pattern resolution performance from a more detailed perspective and on making a right/wrong judgment from the perspective of edge placement error (EPE). To begin with, pattern resolution performance in spacer-type multi-patterning is affected by the process accuracy of the core (mandrel) pattern. Improving the controllability of CD and LER of the mandrel is most important, and to reduce LER, an appropriate smoothing technique should be carefully selected. In addition, the atomic layer deposition (ALD) technique is generally used to meet the need for high accuracy in forming the spacer film. Advances in scaling are accompanied by stricter requirements in the controllability of fine processing. In this paper, we first describe our efforts in improving controllability by selecting the most appropriate materials for the mandrel pattern and spacer film. Then, based on the materials selected, we present experimental results on a technique for improving etching selectivity.

Understanding hydraulic fracturing: a multi-scale problem.

PubMed

Hyman, J D; Jiménez-Martínez, J; Viswanathan, H S; Carey, J W; Porter, M L; Rougier, E; Karra, S; Kang, Q; Frash, L; Chen, L; Lei, Z; O'Malley, D; Makedonska, N

2016-10-13

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nanometres to kilometres. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical and experimental efforts/methods. At the field scale, we use discrete fracture network modelling to simulate production of a hydraulically fractured well from a fracture network that is based on the site characterization of a shale gas reservoir. At the core scale, we use triaxial fracture experiments and a finite-discrete element model to study dynamic fracture/crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and shale rock micromodels to study pore-scale flow and transport phenomena, including multi-phase flow and fluids mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs. Finally, we discuss the potential of CO2 as an alternative working fluid, both in fracturing and re-stimulating activities, beyond its environmental advantages.This article is part of the themed issue 'Energy and the subsurface'. © 2016 The Author(s).

Understanding hydraulic fracturing: a multi-scale problem

PubMed Central

Hyman, J. D.; Jiménez-Martínez, J.; Viswanathan, H. S.; Carey, J. W.; Porter, M. L.; Rougier, E.; Karra, S.; Kang, Q.; Frash, L.; Chen, L.; Lei, Z.; O’Malley, D.; Makedonska, N.

2016-01-01

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nanometres to kilometres. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical and experimental efforts/methods. At the field scale, we use discrete fracture network modelling to simulate production of a hydraulically fractured well from a fracture network that is based on the site characterization of a shale gas reservoir. At the core scale, we use triaxial fracture experiments and a finite-discrete element model to study dynamic fracture/crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and shale rock micromodels to study pore-scale flow and transport phenomena, including multi-phase flow and fluids mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs. Finally, we discuss the potential of CO2 as an alternative working fluid, both in fracturing and re-stimulating activities, beyond its environmental advantages. This article is part of the themed issue ‘Energy and the subsurface’. PMID:27597789

A Multi-Stage Method for Connecting Participatory Sensing and Noise Simulations

PubMed Central

Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui

2015-01-01

Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales. PMID:25621604

A multi-stage method for connecting participatory sensing and noise simulations.

PubMed

Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui

2015-01-22

Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales.

Application of multi-grid method on the simulation of incremental forging processes

NASA Astrophysics Data System (ADS)

Ramadan, Mohamad; Khaled, Mahmoud; Fourment, Lionel

2016-10-01

Numerical simulation becomes essential in manufacturing large part by incremental forging processes. It is a splendid tool allowing to show physical phenomena however behind the scenes, an expensive bill should be paid, that is the computational time. That is why many techniques are developed to decrease the computational time of numerical simulation. Multi-Grid method is a numerical procedure that permits to reduce computational time of numerical calculation by performing the resolution of the system of equations on several mesh of decreasing size which allows to smooth faster the low frequency of the solution as well as its high frequency. In this paper a Multi-Grid method is applied to cogging process in the software Forge 3. The study is carried out using increasing number of degrees of freedom. The results shows that calculation time is divide by two for a mesh of 39,000 nodes. The method is promising especially if coupled with Multi-Mesh method.

Multi-Scale Measures of Rugosity, Slope and Aspect from Benthic Stereo Image Reconstructions

PubMed Central

Friedman, Ariell; Pizarro, Oscar; Williams, Stefan B.; Johnson-Roberson, Matthew

2012-01-01

This paper demonstrates how multi-scale measures of rugosity, slope and aspect can be derived from fine-scale bathymetric reconstructions created from geo-referenced stereo imagery. We generate three-dimensional reconstructions over large spatial scales using data collected by Autonomous Underwater Vehicles (AUVs), Remotely Operated Vehicles (ROVs), manned submersibles and diver-held imaging systems. We propose a new method for calculating rugosity in a Delaunay triangulated surface mesh by projecting areas onto the plane of best fit using Principal Component Analysis (PCA). Slope and aspect can be calculated with very little extra effort, and fitting a plane serves to decouple rugosity from slope. We compare the results of the virtual terrain complexity calculations with experimental results using conventional in-situ measurement methods. We show that performing calculations over a digital terrain reconstruction is more flexible, robust and easily repeatable. In addition, the method is non-contact and provides much less environmental impact compared to traditional survey techniques. For diver-based surveys, the time underwater needed to collect rugosity data is significantly reduced and, being a technique based on images, it is possible to use robotic platforms that can operate beyond diver depths. Measurements can be calculated exhaustively at multiple scales for surveys with tens of thousands of images covering thousands of square metres. The technique is demonstrated on data gathered by a diver-rig and an AUV, on small single-transect surveys and on a larger, dense survey that covers over . Stereo images provide 3D structure as well as visual appearance, which could potentially feed into automated classification techniques. Our multi-scale rugosity, slope and aspect measures have already been adopted in a number of marine science studies. This paper presents a detailed description of the method and thoroughly validates it against traditional in-situ measurements. PMID:23251370

NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION.

PubMed

Liu, F; Meerschaert, M M; McGough, R J; Zhuang, P; Liu, Q

2013-03-01

In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian.

NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION

PubMed Central

Liu, F.; Meerschaert, M.M.; McGough, R.J.; Zhuang, P.; Liu, Q.

2013-01-01

In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian. PMID:23772179

Wavelet-based time series bootstrap model for multidecadal streamflow simulation using climate indicators

NASA Astrophysics Data System (ADS)

Erkyihun, Solomon Tassew; Rajagopalan, Balaji; Zagona, Edith; Lall, Upmanu; Nowak, Kenneth

2016-05-01

A model to generate stochastic streamflow projections conditioned on quasi-oscillatory climate indices such as Pacific Decadal Oscillation (PDO) and Atlantic Multi-decadal Oscillation (AMO) is presented. Recognizing that each climate index has underlying band-limited components that contribute most of the energy of the signals, we first pursue a wavelet decomposition of the signals to identify and reconstruct these features from annually resolved historical data and proxy based paleoreconstructions of each climate index covering the period from 1650 to 2012. A K-Nearest Neighbor block bootstrap approach is then developed to simulate the total signal of each of these climate index series while preserving its time-frequency structure and marginal distributions. Finally, given the simulated climate signal time series, a K-Nearest Neighbor bootstrap is used to simulate annual streamflow series conditional on the joint state space defined by the simulated climate index for each year. We demonstrate this method by applying it to simulation of streamflow at Lees Ferry gauge on the Colorado River using indices of two large scale climate forcings: Pacific Decadal Oscillation (PDO) and Atlantic Multi-decadal Oscillation (AMO), which are known to modulate the Colorado River Basin (CRB) hydrology at multidecadal time scales. Skill in stochastic simulation of multidecadal projections of flow using this approach is demonstrated.

Multi-scale modelling to relate beryllium surface temperature, deuterium concentration and erosion in fusion reactor environment

DOE PAGES

Safi, E.; Valles, G.; Lasa, A.; ...

2017-03-27

Beryllium (Be) has been chosen as the plasma-facing material for the main wall of ITER, the next generation fusion reactor. Identifying the key parameters that determine Be erosion under reactor relevant conditions is vital to predict the ITER plasma-facing component lifetime and viability. To date, a certain prediction of Be erosion, focusing on the effect of two such parameters, surface temperature and D surface content, has not been achieved. In this paper, we develop the first multi-scale KMC-MD modeling approach for Be to provide a more accurate database for its erosion, as well as investigating parameters that affect erosion. First,more » we calculate the complex relationship between surface temperature and D concentration precisely by simulating the time evolution of the system using an object kinetic Monte Carlo (OKMC) technique. These simulations provide a D surface concentration profile for any surface temperature and incoming D energy. We then describe how this profile can be implemented as a starting configuration in molecular dynamics (MD) simulations. We finally use MD simulations to investigate the effect of temperature (300–800 K) and impact energy (10–200 eV) on the erosion of Be due to D plasma irradiations. The results reveal a strong dependency of the D surface content on temperature. Increasing the surface temperature leads to a lower D concentration at the surface, because of the tendency of D atoms to avoid being accommodated in a vacancy, and de-trapping from impurity sites diffuse fast toward bulk. At the next step, total and molecular Be erosion yields due to D irradiations are analyzed using MD simulations. The results show a strong dependency of erosion yields on surface temperature and incoming ion energy. The total Be erosion yield increases with temperature for impact energies up to 100 eV. However, increasing temperature and impact energy results in a lower fraction of Be atoms being sputtered as BeD molecules due to the lower D surface concentrations at higher temperatures. Finally, these findings correlate well with different experiments performed at JET and PISCES-B devices.« less

Multi-scale modelling to relate beryllium surface temperature, deuterium concentration and erosion in fusion reactor environment

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

Safi, E.; Valles, G.; Lasa, A.

Beryllium (Be) has been chosen as the plasma-facing material for the main wall of ITER, the next generation fusion reactor. Identifying the key parameters that determine Be erosion under reactor relevant conditions is vital to predict the ITER plasma-facing component lifetime and viability. To date, a certain prediction of Be erosion, focusing on the effect of two such parameters, surface temperature and D surface content, has not been achieved. In this paper, we develop the first multi-scale KMC-MD modeling approach for Be to provide a more accurate database for its erosion, as well as investigating parameters that affect erosion. First,more » we calculate the complex relationship between surface temperature and D concentration precisely by simulating the time evolution of the system using an object kinetic Monte Carlo (OKMC) technique. These simulations provide a D surface concentration profile for any surface temperature and incoming D energy. We then describe how this profile can be implemented as a starting configuration in molecular dynamics (MD) simulations. We finally use MD simulations to investigate the effect of temperature (300–800 K) and impact energy (10–200 eV) on the erosion of Be due to D plasma irradiations. The results reveal a strong dependency of the D surface content on temperature. Increasing the surface temperature leads to a lower D concentration at the surface, because of the tendency of D atoms to avoid being accommodated in a vacancy, and de-trapping from impurity sites diffuse fast toward bulk. At the next step, total and molecular Be erosion yields due to D irradiations are analyzed using MD simulations. The results show a strong dependency of erosion yields on surface temperature and incoming ion energy. The total Be erosion yield increases with temperature for impact energies up to 100 eV. However, increasing temperature and impact energy results in a lower fraction of Be atoms being sputtered as BeD molecules due to the lower D surface concentrations at higher temperatures. Finally, these findings correlate well with different experiments performed at JET and PISCES-B devices.« less

Nationwide Buildings Energy Research enabled through an integrated Data Intensive Scientific Workflow and Advanced Analysis Environment

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

Kleese van Dam, Kerstin; Lansing, Carina S.; Elsethagen, Todd O.

2014-01-28

Modern workflow systems enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve, due to the inherent resource requirements needed for the modeling work. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we will describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create andmore » execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The integration of simulation and analysis environments is hereby not only a question of ease of use, but supports fundamental functions in the correlated analysis of simulation input, execution details and derived results for multi-variant, complex studies. To this end the team extended and integrated the existing capabilities of the Velo data management and analysis infrastructure, the MeDICi data intensive workflow system and RHIPE the R for Hadoop version of the well-known statistics package, as well as developing a new visual analytics interface for the result exploitation by multi-domain users. The capabilities of the new environment are demonstrated on a use case that focusses on the Pacific Northwest National Laboratory (PNNL) building energy team, showing how they were able to take their previously local scale simulations to a nationwide level by utilizing data intensive computing techniques not only for their modeling work, but also for the subsequent analysis of their modeling results. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3 year study of building energy demands for the US Eastern Interconnect domain, which they are now planning to extend to predict the demand for the complete century. The initial study raised their data demands from a few GBs to 400GB for the 3year study and expected tens of TBs for the full century.« less

Multi-scale modelling to relate beryllium surface temperature, deuterium concentration and erosion in fusion reactor environment

NASA Astrophysics Data System (ADS)

Safi, E.; Valles, G.; Lasa, A.; Nordlund, K.

2017-05-01

Beryllium (Be) has been chosen as the plasma-facing material for the main wall of ITER, the next generation fusion reactor. Identifying the key parameters that determine Be erosion under reactor relevant conditions is vital to predict the ITER plasma-facing component lifetime and viability. To date, a certain prediction of Be erosion, focusing on the effect of two such parameters, surface temperature and D surface content, has not been achieved. In this work, we develop the first multi-scale KMC-MD modeling approach for Be to provide a more accurate database for its erosion, as well as investigating parameters that affect erosion. First, we calculate the complex relationship between surface temperature and D concentration precisely by simulating the time evolution of the system using an object kinetic Monte Carlo (OKMC) technique. These simulations provide a D surface concentration profile for any surface temperature and incoming D energy. We then describe how this profile can be implemented as a starting configuration in molecular dynamics (MD) simulations. We finally use MD simulations to investigate the effect of temperature (300-800 K) and impact energy (10-200 eV) on the erosion of Be due to D plasma irradiations. The results reveal a strong dependency of the D surface content on temperature. Increasing the surface temperature leads to a lower D concentration at the surface, because of the tendency of D atoms to avoid being accommodated in a vacancy, and de-trapping from impurity sites diffuse fast toward bulk. At the next step, total and molecular Be erosion yields due to D irradiations are analyzed using MD simulations. The results show a strong dependency of erosion yields on surface temperature and incoming ion energy. The total Be erosion yield increases with temperature for impact energies up to 100 eV. However, increasing temperature and impact energy results in a lower fraction of Be atoms being sputtered as BeD molecules due to the lower D surface concentrations at higher temperatures. These findings correlate well with different experiments performed at JET and PISCES-B devices.

Mega-Scale Simulation of Multi-Layer Devices-- Formulation, Kinetics, and Visualization

DTIC Science & Technology

1994-07-28

prototype code STRIDE, also initially developed under ARO support. The focus of the ARO supported research activities has been in the areas of multi ... FORTRAN -77. During its fifteen-year life- span several generations of researchers have modified the code . Due to this continual develop- ment, the...behavior. The replacement of the linear solver had no effect on the remainder of the code . We replaced the existing solver with a distributed multi -frontal

Status and future of MUSE

NASA Astrophysics Data System (ADS)

Harfst, S.; Portegies Zwart, S.; McMillan, S.

2008-12-01

We present MUSE, a software framework for combining existing computational tools from different astrophysical domains into a single multi-physics, multi-scale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe two examples calculated using MUSE: the merger of two galaxies and an N-body simulation with live stellar evolution. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

Measuring the universe with high-precision large-scale structure

NASA Astrophysics Data System (ADS)

Mehta, Kushal Tushar

Baryon acoustic oscillations (BAOs) are used to obtain precision measurements of cosmological parameters from large-scale surveys. While robust against most systematics, there are certain theoretical uncertainties that can affect BAO and galaxy clustering measurements. In this thesis I use data from the Sloan Digital Sky Survey (SDSS) to measure cosmological parameters and use N-body and smoothed-particle hydrodynamic (SPH) simulations to measure the effect of theoretical uncertainties by using halo occupation distributions (HODs). I investigate the effect of galaxy bias on BAO measurements by creating mock galaxy catalogs from large N-body simulations at z = 1. I find that there is no additional shift in the acoustic scale (0.10% +/- 0.10%) for the less biased HODs (b 3). I present the methodology and implementation of the simple one-step reconstruction technique introduced by Eisenstein et al. (2007) to biased tracers in N-body simulation. Reconstruction reduces the errorbars on the acoustic scale measurement by a factor of 1.5 - 2, and removes any additional shift due to galaxy bias for all HODs (0.07% +/- 0.15%) . Padmanabhan et al. (2012) and Xu et al. (2012) use this reconstruction technique in the SDSS DR7 data to measure DV (z = 0.35) (rsfidr s) = 1356 +/- 25 Mpc. Here I use this measurement in combination with measurements from the cosmic microwave background and the supernovae legacy survey to measure various cosmological parameters. I find the data consistent with the LambdaCDM Universe with a flat geometry. In particular, I measure H0 = 69.8 +/- 1.2 km/s/Mpc, w = 0.97 +/- 0.17, OK= -0.004 +/- 0.005 in the LambdaCDM, wCDM, and oCDM models respectively. Next, I measure the effect of large-scale (5 Mpc) halo environment density on the HOD by using an SPH simulation at z = 0, 0.35, 0.5, 0.75, 1.0$. I do not find any significant dependence of the HOD on the halo environment density for different galaxy mass thresholds, red and blue galaxies, and at different redshifts. I use the MultiDark N-body simualtion to measure the possible effect of environment density on the galaxy correlation function xi(r). I find that environment density enhances xi(r) by 3% at scales of 1 - 20 Mpc/h at z = 0 and up to 12% at 0.3 Mpc/h and 8% at 1 - 4 Mpc/h for z = 1.

Toward an operational tool to simulate green roof hydrological impact at the basin scale: a new version of the distributed rainfall-runoff model Multi-Hydro.

PubMed

Versini, Pierre-Antoine; Gires, Auguste; Tchinguirinskaia, Ioulia; Schertzer, Daniel

2016-10-01

Currently widespread in new urban projects, green roofs have shown a positive impact on urban runoff at the building scale: decrease and slow-down of the peak discharge, and decrease of runoff volume. The present work aims to study their possible impact at the catchment scale, more compatible with stormwater management issues. For this purpose, a specific module dedicated to simulating the hydrological behaviour of a green roof has been developed in the distributed rainfall-runoff model (Multi-Hydro). It has been applied on a French urban catchment where most of the building roofs are flat and assumed to accept the implementation of a green roof. Catchment responses to several rainfall events covering a wide range of meteorological situations have been simulated. The simulation results show green roofs can significantly reduce runoff volume and the magnitude of peak discharge (up to 80%) depending on the rainfall event and initial saturation of the substrate. Additional tests have been made to assess the susceptibility of this response regarding both spatial distributions of green roofs and precipitation. It appears that the total area of greened roofs is more important than their locations. On the other hand, peak discharge reduction seems to be clearly dependent on spatial distribution of precipitation.

A multi-objective constraint-based approach for modeling genome-scale microbial ecosystems.

PubMed

Budinich, Marko; Bourdon, Jérémie; Larhlimi, Abdelhalim; Eveillard, Damien

2017-01-01

Interplay within microbial communities impacts ecosystems on several scales, and elucidation of the consequent effects is a difficult task in ecology. In particular, the integration of genome-scale data within quantitative models of microbial ecosystems remains elusive. This study advocates the use of constraint-based modeling to build predictive models from recent high-resolution -omics datasets. Following recent studies that have demonstrated the accuracy of constraint-based models (CBMs) for simulating single-strain metabolic networks, we sought to study microbial ecosystems as a combination of single-strain metabolic networks that exchange nutrients. This study presents two multi-objective extensions of CBMs for modeling communities: multi-objective flux balance analysis (MO-FBA) and multi-objective flux variability analysis (MO-FVA). Both methods were applied to a hot spring mat model ecosystem. As a result, multiple trade-offs between nutrients and growth rates, as well as thermodynamically favorable relative abundances at community level, were emphasized. We expect this approach to be used for integrating genomic information in microbial ecosystems. Following models will provide insights about behaviors (including diversity) that take place at the ecosystem scale.

Consensus for linear multi-agent system with intermittent information transmissions using the time-scale theory

NASA Astrophysics Data System (ADS)

Taousser, Fatima; Defoort, Michael; Djemai, Mohamed

2016-01-01

This paper investigates the consensus problem for linear multi-agent system with fixed communication topology in the presence of intermittent communication using the time-scale theory. Since each agent can only obtain relative local information intermittently, the proposed consensus algorithm is based on a discontinuous local interaction rule. The interaction among agents happens at a disjoint set of continuous-time intervals. The closed-loop multi-agent system can be represented using mixed linear continuous-time and linear discrete-time models due to intermittent information transmissions. The time-scale theory provides a powerful tool to combine continuous-time and discrete-time cases and study the consensus protocol under a unified framework. Using this theory, some conditions are derived to achieve exponential consensus under intermittent information transmissions. Simulations are performed to validate the theoretical results.

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Consensus of Multi-Agent Systems with Prestissimo Scale-Free Networks

NASA Astrophysics Data System (ADS)

Yang, Hong-Yong; Lu, Lan; Cao, Ke-Cai; Zhang, Si-Ying

2010-04-01

In this paper, the relations of the network topology and the moving consensus of multi-agent systems are studied. A consensus-prestissimo scale-free network model with the static preferential-consensus attachment is presented on the rewired link of the regular network. The effects of the static preferential-consensus BA network on the algebraic connectivity of the topology graph are compared with the regular network. The robustness gain to delay is analyzed for variable network topology with the same scale. The time to reach the consensus is studied for the dynamic network with and without communication delays. By applying the computer simulations, it is validated that the speed of the convergence of multi-agent systems can be greatly improved in the preferential-consensus BA network model with different configuration.

Multithreaded Stochastic PDES for Reactions and Diffusions in Neurons.

PubMed

Lin, Zhongwei; Tropper, Carl; Mcdougal, Robert A; Patoary, Mohammand Nazrul Ishlam; Lytton, William W; Yao, Yiping; Hines, Michael L

2017-07-01

Cells exhibit stochastic behavior when the number of molecules is small. Hence a stochastic reaction-diffusion simulator capable of working at scale can provide a more accurate view of molecular dynamics within the cell. This paper describes a parallel discrete event simulator, Neuron Time Warp-Multi Thread (NTW-MT), developed for the simulation of reaction diffusion models of neurons. To the best of our knowledge, this is the first parallel discrete event simulator oriented towards stochastic simulation of chemical reactions in a neuron. The simulator was developed as part of the NEURON project. NTW-MT is optimistic and thread-based, which attempts to capitalize on multi-core architectures used in high performance machines. It makes use of a multi-level queue for the pending event set and a single roll-back message in place of individual anti-messages to disperse contention and decrease the overhead of processing rollbacks. Global Virtual Time is computed asynchronously both within and among processes to get rid of the overhead for synchronizing threads. Memory usage is managed in order to avoid locking and unlocking when allocating and de-allocating memory and to maximize cache locality. We verified our simulator on a calcium buffer model. We examined its performance on a calcium wave model, comparing it to the performance of a process based optimistic simulator and a threaded simulator which uses a single priority queue for each thread. Our multi-threaded simulator is shown to achieve superior performance to these simulators. Finally, we demonstrated the scalability of our simulator on a larger CICR model and a more detailed CICR model.

Assessment of long-term WRF–CMAQ simulations for understanding direct aerosol effects on radiation "brightening" in the United States

EPA Science Inventory

Long-term simulations with the coupled WRF–CMAQ (Weather Research and Forecasting–Community Multi-scale Air Quality) model have been conducted to systematically investigate the changes in anthropogenic emissions of SO2 and NOx over the past 16 years (1995–2010) ...

Process and Learning Outcomes from Remotely-Operated, Simulated, and Hands-on Student Laboratories

ERIC Educational Resources Information Center

Corter, James E.; Esche, Sven K.; Chassapis, Constantin; Ma, Jing; Nickerson, Jeffrey V.

2011-01-01

A large-scale, multi-year, randomized study compared learning activities and outcomes for hands-on, remotely-operated, and simulation-based educational laboratories in an undergraduate engineering course. Students (N = 458) worked in small-group lab teams to perform two experiments involving stress on a cantilever beam. Each team conducted the…

Dynamic Evaluation of Two Decades of WRF-CMAQ Ozone Simulations over the Contiguous United States (2017 CMAS)

EPA Science Inventory

Weather Research and Forecasting (WRF)–Community Multi-scale Air Quality (CMAQ) model over the contiguous United States is conducted to assess how well the changes in observed ozone air quality are simulated by the model. The changes induced by variations in meteorology and...

Dynamic Evaluation of Two Decades of WRF-CMAQ Ozone Simulations over the Contiguous United States (2017 MAC-MAQ Conference Presentation)

EPA Science Inventory

Dynamic evaluation of two decades of ozone simulations performed with the fully coupled Weather Research and Forecasting (WRF)–Community Multi-scale Air Quality (CMAQ) model over the contiguous United States is conducted to assess how well the changes in observed ozone air ...

Continental-scale temperature covariance in proxy reconstructions and climate models

NASA Astrophysics Data System (ADS)

Hartl-Meier, Claudia; Büntgen, Ulf; Smerdon, Jason; Zorita, Eduardo; Krusic, Paul; Ljungqvist, Fredrik; Schneider, Lea; Esper, Jan

2017-04-01

Inter-continental temperature variability over the past millennium has been reported to be more coherent in climate model simulations than in multi-proxy-based reconstructions, a finding that undermines the representation of spatial variability in either of these approaches. We assess the covariance of summer temperatures among Northern Hemisphere continents by comparing tree-ring based temperature reconstructions with state-of-the-art climate model simulations over the past millennium. We find inter-continental temperature covariance to be larger in tree-ring-only reconstructions compared to those derived from multi-proxy networks, thus enhancing the agreement between proxy- and model-based spatial representations. A detailed comparison of simulated temperatures, however, reveals substantial spread among the models. Over the past millennium, inter-continental temperature correlations are driven by the cooling after major volcanic eruptions in 1257, 1452, 1601, and 1815. The coherence of these synchronizing events appears to be elevated in several climate simulations relative to their own covariance baselines and the proxy reconstructions, suggesting these models overestimate the amplitude of cooling in response to volcanic forcing at large spatial scales.

Simulation of Degraded Properties of 2D plain Woven C/SiC Composites under Preloading Oxidation Atmosphere

NASA Astrophysics Data System (ADS)

Chen, Xihui; Sun, Zhigang; Sun, Jianfen; Song, Yingdong

2017-12-01

In this paper, a numerical model which incorporates the oxidation damage model and the finite element model of 2D plain woven composites is presented for simulation of the oxidation behaviors of 2D plain woven C/SiC composite under preloading oxidation atmosphere. The equal proportional reduction method is firstly proposed to calculate the residual moduli and strength of unidirectional C/SiC composite. The multi-scale method is developed to simulate the residual elastic moduli and strength of 2D plain woven C/SiC composite. The multi-scale method is able to accurately predict the residual elastic modulus and strength of the composite. Besides, the simulated residual elastic moduli and strength of 2D plain woven C/SiC composites under preloading oxidation atmosphere show good agreements with experimental results. Furthermore, the preload, oxidation time, temperature and fiber volume fractions of the composite are investigated to show their influences upon the residual elastic modulus and strength of 2D plain woven C/SiC composites.

Concurrent Probabilistic Simulation of High Temperature Composite Structural Response

NASA Technical Reports Server (NTRS)

Abdi, Frank

1996-01-01

A computational structural/material analysis and design tool which would meet industry's future demand for expedience and reduced cost is presented. This unique software 'GENOA' is dedicated to parallel and high speed analysis to perform probabilistic evaluation of high temperature composite response of aerospace systems. The development is based on detailed integration and modification of diverse fields of specialized analysis techniques and mathematical models to combine their latest innovative capabilities into a commercially viable software package. The technique is specifically designed to exploit the availability of processors to perform computationally intense probabilistic analysis assessing uncertainties in structural reliability analysis and composite micromechanics. The primary objectives which were achieved in performing the development were: (1) Utilization of the power of parallel processing and static/dynamic load balancing optimization to make the complex simulation of structure, material and processing of high temperature composite affordable; (2) Computational integration and synchronization of probabilistic mathematics, structural/material mechanics and parallel computing; (3) Implementation of an innovative multi-level domain decomposition technique to identify the inherent parallelism, and increasing convergence rates through high- and low-level processor assignment; (4) Creating the framework for Portable Paralleled architecture for the machine independent Multi Instruction Multi Data, (MIMD), Single Instruction Multi Data (SIMD), hybrid and distributed workstation type of computers; and (5) Market evaluation. The results of Phase-2 effort provides a good basis for continuation and warrants Phase-3 government, and industry partnership.

Global Magnetosphere Modeling With Kinetic Treatment of Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Toth, G.; Chen, Y.; Gombosi, T. I.; Cassak, P.; Markidis, S.; Peng, B.; Henderson, M. G.

2017-12-01

Global magnetosphere simulations with a kinetic treatment of magnetic reconnection are very challenging because of the large separation of global and kinetic scales. We have developed two algorithms that can overcome these difficulties: 1) the two-way coupling of the global magnetohydrodynamic code with an embedded particle-in-cell model (MHD-EPIC) and 2) the artificial increase of the ion and electron kinetic scales. Both of these techniques improve the efficiency of the simulations by many orders of magnitude. We will describe the techniques and show that they provide correct and meaningful results. Using the coupled model and the increased kinetic scales, we will present global magnetosphere simulations with the PIC domains covering the dayside and/or tail reconnection sites. The simulation results will be compared to and validated with MMS observations.

CellML and associated tools and techniques.

PubMed

Garny, Alan; Nickerson, David P; Cooper, Jonathan; Weber dos Santos, Rodrigo; Miller, Andrew K; McKeever, Steve; Nielsen, Poul M F; Hunter, Peter J

2008-09-13

We have, in the last few years, witnessed the development and availability of an ever increasing number of computer models that describe complex biological structures and processes. The multi-scale and multi-physics nature of these models makes their development particularly challenging, not only from a biological or biophysical viewpoint but also from a mathematical and computational perspective. In addition, the issue of sharing and reusing such models has proved to be particularly problematic, with the published models often lacking information that is required to accurately reproduce the published results. The International Union of Physiological Sciences Physiome Project was launched in 1997 with the aim of tackling the aforementioned issues by providing a framework for the modelling of the human body. As part of this initiative, the specifications of the CellML mark-up language were released in 2001. Now, more than 7 years later, the time has come to assess the situation, in particular with regard to the tools and techniques that are now available to the modelling community. Thus, after introducing CellML, we review and discuss existing editors, validators, online repository, code generators and simulation environments, as well as the CellML Application Program Interface. We also address possible future directions including the need for additional mark-up languages.

Resonant-type MEMS transducers excited by two acoustic emission simulation techniques

NASA Astrophysics Data System (ADS)

Ozevin, Didem; Greve, David W.; Oppenheim, Irving J.; Pessiki, Stephen

2004-07-01

Acoustic emission testing is a passive nondestructive testing technique used to identify the onset and characteristics of damage through the detection and analysis of transient stress waves. Successful detection and implementation of acoustic emission requires good coupling, high transducer sensitivity and ability to discriminate noise from real signals. We report here detection of simulated acoustic emission signals using a MEMS chip fabricated in the multi-user polysilicon surface micromachining (MUMPs) process. The chip includes 18 different transducers with 10 different resonant frequencies in the range of 100 kHz to 1 MHz. It was excited by two different source simulation techniques; pencil lead break and impact loading. The former simulation was accomplished by breaking 0.5 mm lead on the ceramic package. Four transducer outputs were collected simultaneously using a multi-channel oscilloscope. The impact loading was repeated for five different diameter ball bearings. Traditional acoustic emission waveform analysis methods were applied to both data sets to illustrate the identification of different source mechanisms. In addition, a sliding window Fourier transform was performed to differentiate frequencies in time-frequency-amplitude domain. The arrival and energy contents of each resonant frequency were investigated in time-magnitude plots. The advantages of the simultaneous excitation of resonant transducers on one chip are discussed and compared with broadband acoustic emission transducers.

The pivotal role of angiogenesis in a multi-scale modeling of tumor growth exhibiting the avascular and vascular phases.

PubMed

Salavati, Hooman; Soltani, M; Amanpour, Saeid

2018-05-06

The mechanisms involved in tumor growth mainly occur at the microenvironment, where the interactions between the intracellular, intercellular and extracellular scales mediate the dynamics of tumor. In this work, we present a multi-scale model of solid tumor dynamics to simulate the avascular and vascular growth as well as tumor-induced angiogenesis. The extracellular and intercellular scales are modeled using partial differential equations and cellular Potts model, respectively. Also, few biochemical and biophysical rules control the dynamics of intracellular level. On the other hand, the growth of melanoma tumors is modeled in an animal in-vivo study to evaluate the simulation. The simulation shows that the model successfully reproduces a completed image of processes involved in tumor growth such as avascular and vascular growth as well as angiogenesis. The model incorporates the phenotypes of cancerous cells including proliferating, quiescent and necrotic cells, as well as endothelial cells during angiogenesis. The results clearly demonstrate the pivotal effect of angiogenesis on the progression of cancerous cells. Also, the model exhibits important events in tumor-induced angiogenesis like anastomosis. Moreover, the computational trend of tumor growth closely follows the observations in the experimental study. Copyright © 2018 Elsevier Inc. All rights reserved.

A Harder Rain is Going to Fall: Challenges for Actionable Projections of Extremes

NASA Astrophysics Data System (ADS)

Collins, W.

2014-12-01

Hydrometeorological extremes are projected to increase in both severity and frequency as the Earth's surface continues to warm in response to anthropogenic emissions of greenhouse gases. These extremes will directly affect the availability and reliability of water and other critical resources. The most comprehensive suite of multi-model projections has been assembled under the Coupled Model Intercomparison Project version 5 (CMIP5) and assessed in the Fifth Assessment (AR5) of the Intergovernmental Panel on Climate Change (IPCC). In order for these projections to be actionable, the projections should exhibit consistency and fidelity down to the local length and timescales required for operational resource planning, for example the scales relevant for water allocations from a major watershed. In this presentation, we summarize the length and timescales relevant for resource planning and then use downscaled versions of the IPCC simulations over the contiguous United States to address three questions. First, over what range of scales is there quantitative agreement between the simulated historical extremes and in situ measurements? Second, does this range of scales in the historical and future simulations overlap with the scales relevant for resource management and adaptation? Third, does downscaling enhance the degree of multi-model consistency at scales smaller than the typical global model resolution? We conclude by using these results to highlight requirements for further model development to make the next generation of models more useful for planning purposes.