Stony Brook AMS - Downloadable Preprints - 2006


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SUNYSB-AMS-06-01:   A Front Tracking Algorithm for Limited Mass Diffusion
SUNYSB-AMS-06-02:   Residual Fluid Blobs and Contact Angle Measurements from X-Ray Images of Fluid Displacement
SUNYSB-AMS-06-03:   Classification by Ensembles from Random Partitions
SUNYSB-AMS-06-04:   Conservative Front Tracking Method in N-Dimensions
SUNYSB-AMS-06-05:   Simulation vs. Theory vs. Experiment for Complex Fluid Mixing Flows
SUNYSB-AMS-06-06:   Front Tracking under TSTT
SUNYSB-AMS-06-07:   Dynamic Phase Boundaries for Compressible Fluids
SUNYSB-AMS-06-08:   Entropy of Averaging for Compressible Two-Pressure Two-Phase Flow Models
SUNYSB-AMS-06-09:   A Front Tracking Method for Multiscale Free Surface Compressible Flows
SUNYSB-AMS-06-10:   Numerical Evaluation of Impact of Laser Preheat on Interface Structure and Instability
SUNYSB-AMS-06-11:   Microstructure of Natural Hydrate Host Sediments
SUNYSB-AMS-06-12:   A Comparison Study of Two Methods for Elliptic Boundary Value Problems
SUNYSB-AMS-06-13:   Recent Progress in Turbulent Mixing

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SUNYSB-AMS-06-01 A Front Tracking Algorithm for Limited Mass Diffusion Xinfeng Liu, Yuanhua Li, James Glimm, Xiaolin Li

The advantage of front tracking over capturing methods for the numerical simulation of discontinuity surfaces in fluid flow is to eliminate the numerical diffusion of mass across a fluid interface. For accurate modeling of an interface between miscible fluids, however, physical mass diffusion may be significant, and must be added to the calculation. The main purpose of this paper is to introduce a new front tracking algorithm in which the physical diffusion of mass across a tracked interface is included. The accuracy and convergence properties of this algorithm are discussed. The new algorithm is a subgrid algorithm in the sense that the asymptotic fine grid behavior is identical to conventional untracked (capturing) methods while the coarse grid behavior is improved. It is thus most suitable for modeling small values of physical mass diffusion, for which adequate numerical resolution is computationally demanding. The mixing rates for the 3D Rayleigh-Taylor instability of miscible fluids based on this algorithm agree with experimental values.

Submitted to J. of Comp. Phys.
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SUNYSB-AMS-06-02 Residual Fluid Blobs and Contact Angle Measurements from X-Ray Images of Fluid Displacement M. Prodanovic, W.B. Lindquist, and R.S. Seright

Over the past decade a growing number of high resolution, three-dimensional, X-ray computed tomography images of multiphase porous media systems have become available, as have the number of algorithms to analyze both the pore space and the fluid partitioning imaged within the voids. Here we consider the measurement of fluid-fluid and fluid-solid surfaces at residual fluid conditions in a Berea sandstone sample. 3D reconstructions of the residual fluid blobs show qualitative behaviour which is in agreeement with conventional wisdom. We consider the measurement of fluid-solid contact angle via such images. We elucidate the challenge in identifying triple points (points with three phases in contact) and describe an algorithm for contact angle measurement. Results from application of the contact angle algorithm indicate the ability to distinguish wetting and non-wetting fluid blobs and reveal satisfactory agreement with experimental wettability measurements.

To appear in the proceedings of International Conference on Computational Methods in Water Resources XVI, Copenhagen Denmark, June 19-22, 2006.
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SUNYSB-AMS-06-03 Classification by Ensembles from Random Partitions Hongshik Ahn, Hojin Moon, Melissa J. Fazzari, Noha Lim, James J. Chen and Ralph L. Kodell

A robust classification procedure is developed based on ensembles of classifiers, with each classifier constructed from a different set of predictors determined by a random partition of the entire set of predictors. The proposed method combines the results of multiple classifiers to achieve a substantially improved prediction compared to the optimal single classifier. This approach is designed specifically for high-dimensional data sets for which a classifier is sought. By combining classifiers built from each subspace of the predictors, the proposed methods achieve a huge computational advantage in tackling the growing problem of dimensionality. We have shown empirically that huge data sets need not be handled as a whole; the subspaces of the feature space created through partitioning may be treated independently and separately until after the classifiers are developed. For each subspace of the predictors, we build a classification tree or logistic regression tree with an optimal size yielding least cost in terms of misclassification errors. By a random partition, a logistic regression can be used without losing the ensemble accuracy for data with a huge number of available predictor variables and a relatively small number of observations without a variable selection. We investigate the performance of the proposed ensemble methods compared to widely used classification methods including Random Forest, Support Vector Machines, Boosting, Linear Discriminant Analysis, $k$-Nearest Neighbors and single optimal trees using three real data sets from different areas. Our study shows that the performance of our methods in terms of overall accuracy is consistently good compared to the other classification methods considered in this study. For unbalanced data, our approach maintains the balance between sensitivity and specificity more adequately than many other classification methods. A primary area of application is the classification of subjects into cancer-risk or cancer-type categories based on high dimensional genomics or proteomics data. It is anticipated that the proposed methods can be used to improve class prediction in many other areas of application involving high dimensional prediction sets.

Submitted for publication
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SUNYSB-AMS-06-04 A Conservative Front Tracking Method in N-Dimensions Jinjie Liu, Hyun-Kyun Lim, James Glimm and Xiaolin Li

We propose a fully conservative Front Tracking algorithm for systems of nonlinear conservation laws. The algorithm can be applied uniformly in one, two, three and N dimensions. Implementation details for this algorithm and tests of fully conservative simulations are reported.

Submitted for J. of Sci. Comp.
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SUNYSB-AMS-06-05 Simulation vs. Theory vs. Experiment for Complex Fluid Mixing Flows James Glimm and D. H. Sharp

It is an old saw that science has as its three pillars theory, experiment and simulation. An ability to believe simulation when the three do not agree is a testament to a newfound credulence placed on simulations. Our story concerns widely different experimental and simulation results in a problem of long standing: the determination of the rates of chaotic mixing resultig from acceleration across a fluid density discontinuity, namely the classical Rayleigh-Taylor (RT) instability.


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SUNYSB-AMS-06-06 Front Tracking under TSTT James Glimm, Brian Fix, Xiaolin Li, Jinjie Liu Xinfeng Liu, Tishshi Lu, Roman Samulyak and Zhiliang Xu

We report several important developments of the front tracking method and applications in science and engineering under the TSTT project. The progress includes the extraction of an independent software library from the front tracking code, conservative front tracking, applications of front tracking to the simulation of fusion pellet injection in a magnetically confined plasma, the study of a fuel injection jet, and the study of fluid chaotic mixing, among other problems.

Submitted for ASP Conference Series.
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SUNYSB-AMS-06-07 Dynamic Phase Boundaries for Compressible Fluids T. Lu, Z. L. Xu, R. Samulyak, J. Glimm, X. M. Ji

We present an algorithm for the simulation of a generalized Riemann problem for phase transitions in compressible fluids. We model the transition as a tracked jump discontinuity. The emphasis here is on the coupling of the phase transition process to acoustic waves, which is required for the study of cavitation induced by strong rarefaction waves. The robustness of the proposed algorithm is verified by application to various physical regimes.

Submitted to Siam J. on Scientific Computing
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SUNYSB-AMS-06-08 Entropy of Averaging for Compressible Two-Pressure Two-Phase Flow Models H. Jin, J. Glimm, D. H. Sharp

We propose here a new closure for compressible two-pressure two-phase flow models, which satisfies conservation requirements, boundary conditions at the edges of the mixing zone, hyperbolic stability (real eigenvalues for the characteristic version of the equations of motion) and an entropy inequality. Except for the latter, these properties are direct consequences of the proposed closures. The entropy, which is the main focus of this paper, inequality ( as opposed to entropy conservation for microphysically adiabatic processes) implies positivity for the entropy of averaging.

Submitted to Phys. Lett. A
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SUNYSB-AMS-06-09 A Front Tracking Method for Multiscale Free Surface Compressible Flows Z. Xu, J. Glimm, Y. Zhang, X. Liu

We present an overview of multiscale computations for free surface flows based on the front tracking method. Our approach combines theory, numerical algorithm development, simulation based scientific studies, and the analysis of experimental data.

Submitted to Chemical Engineering Science Journal on complex systems
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SUNYSB-AMS-06-10 Numerical Evaluation of Impact of Laser Preheat on Interface Structure and Instability Y. Zhang, R. P. Drake, and J. Glimm

This paper presents a computational study of the impact of preheating, in advance of shock heating, on a structured interface and on the subsequent postshock instability evolution. The study was performed by applying a method, described previously, of evaluating radiative effects using a multidimensional, front-tracking hydrodynamic code with input from a one-dimensional, radiation-hydrodynamic code. The method is general and could be applied to a range of laser-driven shock experiments. Results of simulations are shown for both high and low levels of preheat, conducted using a robust front tracking algorithm in the presence of a radiation energy source. In the low-preheat case, which represents the minimum to be anticipated in laboratory experiments, some impact of preheat on both preshock conditions and post-shock evolution are observed. In the high-preheat case, which represents one potential result of preheating by increased radiation and/or energetic electrons, the preheat alters the spectral content of the interface structure. In this case, before the shock reaches the interface, higher-order harmonic modes are induced, the interface position is shifted, and the perturbation amplitude is reduced. Furthermore, the post-shock evolution of the interface is affected by the amount of preheat and by whether radiative heating after the laser pulse is also included. Such a numerical assessment of preheating can be important to the design and analysis of laboratory experiments. The initial conditions for the interaction of any shock wave with structures in the target may be altered by the presence of preheating. This poses a challenge to the laser experimental study of fluid mixing. Numerical simulations can serve as a useful tool to guide decisions regarding control and/or measurement of this effect.

in press, Physics of Plasma
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SUNYSB-AMS-06-11 Microstructure of Natural Hydrate Host Sediments K.W. Jones K.W. Jones, P.B. Kerkar, D. Mahajan, W.B. Lindquist, and H. Feng

There is worldwide interest in the study of natural gas hydrate because of its potential impact on world energy resources, control on seafloor stability, significance as a drilling hazard, and probable impact on climate as a reservoir of a major greenhouse gas. Gas hydrates can: (a) be free floating in the sediment matrix, (b) contact, but not cement, existing sediment grains, or (c) cement and stiffen the bulk sediment. Seismic surveys, often used to prospect for hydrates over a large area, can provide knowledge of the location of large hydrate concentrations because the hydrate location within the sediment pores can have a profound influence on its seismic properties. The ability to image a sample at the grain scale and to determine the porosity, permeability, and seismic profile is of great interest since these can help determine the location of hydrates with certainty. We report here on an investigation of the properties of methane hydrate sediments at the grain-size scale using the synchrotron radiation-based computed microtomgraphy (CMT) technique. Work has started on the measurements of the changes occurring as tetrahydrofuran hydrate, a surrogate for methane hydrate, is formed in the sediment.

Proceedings of CAARI 2006: the 19'th International Conference on the Application of Accelerators in Research and Industry, Aug. 20-25, 2006, Fort Worth, TX.
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SUNYSB-AMS-06-12 A Comparison Study of Two Methods for Elliptic Boundary Value Problems J. Du, S. Wang, J. Glimm, R. Samulyak

In this paper, we compare two methods with regard to speed and accuracy (the embedded boundary method and several versions of the mixed finite element method) to solve an elliptic boundary value problem.

Submitted to SIAM Journal on Numerical Analysis
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SUNYSB-AMS-06-13 Recent Progress in Turbulent Mixing J. Glimm, X. Li

We present recent progress on turbulent mixing, jointly obtained with collaborators. We have an improved version of front tracking, improved physics models of Rayleigh-Taylor turbulent mixing, and agreement of simulations with experiment for immiscible experiments without surfactants and miscible fluids with mass diffusion. We present improved closures for averaged equations. We use the experimentally validated simulations to validate the closures in the averaged equations. Issues of verification are also addressed.

10th IWPCTM - Paris (France) July 2006
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