Convergence of iterative split-operator approaches for approximating nonlinear reactive transport problems

Abstract Numerical solutions to nonlinear reactive solute transport problems (NRTPs) are often computed using split-operator (SO) approaches, which separate the transport and reaction processes. This uncoupling introduces an additional source of numerical error, known as the splitting error. The iterative split-operator (ISO) algorithm removes the splitting error through iteration. Although the ISO algorithm is often used, there has been very little analysis of its convergence behavior. This work uses theoretical analysis and numerical experiments to investigate the convergence rate of the ISO approach for solving NRTPs. We show that under certain assumptions regarding smoothness, the convergence rate of the ISO algorithm applied NRTPs is O(Δ ). We demonstrate that the theoretical convergence rate can be achieved in practice if the numerical solution of the transport and reaction steps are carried out with sufficient accuracy. We also show that accurate estimation of the lagged operator in each step is crucial to obtaining the theoretical convergence rate

Optimal design for problems involving flow and transport phenomena in saturated subsurface systems

Abstract Estimation problems arise routinely in subsurface hydrology for applications that range from water resources management to water quality protection to subsurface restoration. Interest in optimal design of such systems has increased over the last two decades and this area is considered an important and active area of research. In this work, we review the state of the art, assess important challenges that must be resolved to reach a mature level of understanding, and summarize some promising approaches that might help meet some of the challenges. While much has been accomplished to date, we conclude that more work remains before comprehensive, efficient, and robust solution methods exist to solve the most challenging applications in subsurface science. We suggest that future directions of research include the application of direct search solution methods, and developments in stochastic and multi-objective optimization. We present a set of comprehensive test problems for use in the research community as a means for benchmarking and comparing optimization approaches

Efficient steady-state solution techniques for variably saturated groundwater flow

We consider the simulation of steady-state variably saturated groundwater flow using Richards' equation (RE). The difficulties associated with solving RE numerically are well known. Most discretization approaches for RE lead to nonlinear systems that are large and difficult to solve. The solution of nonlinear systems for steady- state problems can be particularly challenging, since a good initial guess for the steady-state solution is often hard to obtain, and the resulting linear systems may be poorly scaled. Common approaches like Picard iteration or variations of Newton's method have their advantages but perform poorly with standard globalization techniques under certain conditions. Pseudo-transient continuation has been used in computational fluid dynamics for some time to obtain steady-state solutions for problems in which Newton's method with standard line-search strategies fails. It combines aspects of backward Euler time integration and Newton's method to select intermediate estimates of the steady-state solution. Here, we examine the use of pseudo-transient continuation as well as Newton's method combined with standard globalization techniques for steady-state problems in heterogeneous domains. We investigate the methods' performance with direct and preconditioned Krylov iterative linear solvers. We then make recommendations for robust and efficient approaches to obtain steady-state solutions for RE under a range of conditions

Magnetic Resonance Detection of Gas Microbubbles via HyperCEST: A Path Toward Dual Modality Contrast Agent

Gas microbubbles are an established clinical ultrasound contrast agent. They could also become a powerful magnetic resonance (MR) intravascular contrast agent, but their low susceptibility-induced contrast requires high circulating concentrations or the addition of exogenous paramagnetic nanoparticles for MR detection. In order to detect clinical in vivo concentrations of raw microbubbles via MR, an alternative detection scheme must be used. HyperCEST is an NMR technique capable of indirectly detecting signals from very dilute molecules (concentrations well below the NMR detection threshold) that exchange hyperpolarized 129Xe. Here, we use quantitative hyperCEST to show that microbubbles are very efficient hyperCEST agents. They can accommodate and saturate millions of 129Xe atoms at a time, allowing for their indirect detection at concentrations as low as 10 femtomolar. The increased MR sensitivity to microbubbles achieved via hyperCEST can bridge the gap for microbubbles to become a dual modality contrast agent

Constrained dogleg methods for nonlinear systems with simple bounds

We focus on the numerical solution of medium scale bound-constrained systems of nonlinear equations. In this context, we consider an affine-scaling trust region approach that allows a great flexibility in choosing the scaling matrix used to handle the bounds. The method is based on a dogleg procedure tailored for constrained problems and so, it is named Constrained Dogleg method. It generates only strictly feasible iterates. Global and locally fast convergence is ensured under standard assumptions. The method has been implemented in the Matlab solver CoDoSol that supports several diagonal scalings in both spherical and elliptical trust region frameworks. We give a brief account of CoDoSol and report on the computational experience performed on a number of representative test problem

Reduced Basis Method for the Stokes Equations in Decomposable Parametrized Domains Using Greedy Optimization

Flow simulations in pipelined channels and several kinds of parametrized configurations have a growing interest in many life sciences and industrial applications. Applications may be found in the analysis of the blood flow in specific compartments of the circulatory system that can be represented as a combination of few deformed vessels from reference ones, e.g. pipes. We propose a solution approach that is particularly suitable for the study of internal flows in hierarchical parametrized geometries. The main motivation is for applications requiring rapid and reliable numerical simulations of problems in domains involving parametrized complex geometries. The classical reduced basis (RB) method is very effective to address viscous flows equations in parametrized geometries (see, e.g., [10]). An interesting alternative foresees a combination of RB with a domain decomposition approach. In this respect, preliminary efforts to reduce the global parametrized problem to local ones have led to the introduction of the so-called reduced basis element method to solve the Stokes problem [6], and more recently to the reduced basis hybrid method [3] and to the static condensation method [7]. In general, we are interested in defining a method able to maintain the flexibility of dealing with arbitrary combinations of subdomains and several geometrical deformations of the latter. A further new contribution to this field is the computation of the reduced basis functions through an optimization greedy algorithm

Bottom-Tau Unification in SUSY SU(5) GUT and Constraints from b to s gamma and Muon g-2

An analysis is made on bottom-tau Yukawa unification in supersymmetric (SUSY) SU(5) grand unified theory (GUT) in the framework of minimal supergravity, in which the parameter space is restricted by some experimental constraints including Br(b to s gamma) and muon g-2. The bottom-tau unification can be accommodated to the measured branching ratio Br(b to s gamma) if superparticle masses are relatively heavy and higgsino mass parameter \mu is negative. On the other hand, if we take the latest muon g-2 data to require positive SUSY contributions, then wrong-sign threshold corrections at SUSY scale upset the Yukawa unification with more than 20 percent discrepancy. It has to be compensated by superheavy threshold corrections around the GUT scale, which constrains models of flavor in SUSY GUT. A pattern of the superparticle masses preferred by the three requirements is also commented.Comment: 21pages, 6figure

Neutralino Dark Matter, b-tau Yukawa Unification and Non-Universal Sfermion Masses

We study the implications of minimal non-Universal Boundary Conditions in the sfermion Soft SUSY Breaking (SSB) masses of mSUGRA. We impose asymptotic b-tau Yukawa coupling Unification and we resort to a parameterization of the deviation from Universality in the SSB motivated by the multiplet structure of SU(5) GUT. A set of cosmo-phenomenological constraints, including the recent results from WMAP, determines the allowed parameter space of the models under consideration. We highlight a new coannihilation corridor where neutralino-sbottom and neutralino-tau sneutrino-stau coannihilations significantly contribute to the reduction of the neutralino relic density.Comment: 38 pages, 27 Figures, Latex; Version accepted for publication in PR

On the selection of AGN neutrino source candidates for a source stacking analysis with neutrino telescopes

The sensitivity of a search for sources of TeV neutrinos can be improved by grouping potential sources together into generic classes in a procedure that is known as source stacking. In this paper, we define catalogs of Active Galactic Nuclei (AGN) and use them to perform a source stacking analysis. The grouping of AGN into classes is done in two steps: first, AGN classes are defined, then, sources to be stacked are selected assuming that a potential neutrino flux is linearly correlated with the photon luminosity in a certain energy band (radio, IR, optical, keV, GeV, TeV). Lacking any secure detailed knowledge on neutrino production in AGN, this correlation is motivated by hadronic AGN models, as briefly reviewed in this paper. The source stacking search for neutrinos from generic AGN classes is illustrated using the data collected by the AMANDA-II high energy neutrino detector during the year 2000. No significant excess for any of the suggested groups was found.Comment: 43 pages, 12 figures, accepted by Astroparticle Physic