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Hybrid Numerical Methods for Multiscale Modeling of Subsurface Biogeochemical Processes


EMSL Project ID
25602

Abstract

The project is focused on developing a component-based framework and associated parallel software components for doing large scale simulations of subsurface reactive transport by combining different physical models defined on varying length scales into a single coherent simulation. Success in this effort will require both advances in methodology, to analytically define the appropriate interfaces between physical models, and the development of code to implement the new hybrid models. The resources being requested will be used for software development and preliminary simulations of reactive subsurface flows using the framework.

Project Details

Project type
Large-Scale EMSL Research
Start Date
2007-05-23
End Date
2010-09-30
Status
Closed

Team

Principal Investigator

Bruce Palmer
Institution
Pacific Northwest National Laboratory

Team Members

Khushbu Agarwal
Institution
Pacific Northwest National Laboratory

Uditha Bandara
Institution
Pacific Northwest National Laboratory

Vidhya Gurumoorthi
Institution
Pacific Northwest National Laboratory

Barry Lee
Institution
Pacific Northwest National Laboratory

Humberto Silva
Institution
Pacific Northwest National Laboratory

Guang Lin
Institution
Brown University

Benjamin Allan
Institution
Sandia National Laboratory

Jared Chase
Institution
Pacific Northwest National Laboratory

Timothy Scheibe
Institution
Pacific Northwest National Laboratory

Jeffrey Daily
Institution
Pacific Northwest National Laboratory

Todd Elsethagen
Institution
Pacific Northwest National Laboratory

Karen Schuchardt
Institution
Pacific Northwest National Laboratory

Gary Black
Institution
Pacific Northwest National Laboratory

William Perkins
Institution
Pacific Northwest National Laboratory

Cynthia Rakowski
Institution
Pacific Northwest National Laboratory

Alexandre Tartakovsky
Institution
Pacific Northwest National Laboratory

Lisong Sun
Institution
Pacific Northwest National Laboratory

Yilin Fang
Institution
Pacific Northwest National Laboratory

Vicky Freedman
Institution
Pacific Northwest National Laboratory

Glenn Hammond
Institution
Pacific Northwest National Laboratory

Harold Trease
Institution
Pacific Northwest National Laboratory

James Fort
Institution
Pacific Northwest National Laboratory

Related Publications

Chase JM, KL Schuchardt, G Chin, Jr, JA Daily, and TD Scheibe. 2008. "Iterative Workflows in Numerical Simulations." In IEEE - The Second International Workshop on Scientific Workflows (SWF'08). PNNL-SA-59717, Pacific Northwest National Laboratory, Richland, WA.
Guin A, R Ramanathan, RW Ritzi, JR, DF Dominic, IA Lunt, TD Scheibe, and VL Freedman. 2010. "Simulating the Heterogeneity in Braided Channel Belt Deposits: 2. Examples of Results and Comparison to Natural Deposits." Water Resources Research 46:Article Number: W04516.
Gurumoorthi V, AM Tartakovsky, TD Scheibe, and BJ Palmer. 2010. "A Component-Based Framework for Smoothed Particle Hydrodynamics Simulations of Reactive Fluid Flow in Porous Media. ." International Journal of High Performance Computing Applications 24(2):228-239. doi:10.1177/1094342009358415
Palmer BJ, Y Fang, G Hammond, V Gurumoorthi. 2007 "Component-based framework for subsurface simulations." Journal of Physics: Conference Series 78:Art. No. 012056.
Palmer BJ, Y Fang, V Gurumoorthi, GE Hammond, JA Fort, and TD Scheibe. 2009. "Developing a Component-Based Framework for Subsurface Simulation using the Common Component Architecture." In SciDAC 2009: Journal of Physics: Conference Series , vol. 180, no. 1, p. Paper No. 012064. IOP Publishing, London, United Kingdom. doi:10.1088/1742-6596/180/1/012064
Ramanathan R, A Guin, RW Ritzi, JR, DF Dominic, VL Freedman, TD Scheibe, and IA Lunt. 2010. "Simulating the Heterogeneity in Braided Channel Belt Deposits: Part 1. A Geometric-Based Methodology and Code." Water Resources Research 46():Article Number: W04515 .
Schuchardt KL, GD Black, JM Chase, TO Elsethagen, and L Sun. 2007. "Process Integration, data management, and visualization framework for subsurface sciences." Journal of Physics: Conference Series 78:012064.
Schuchardt KL, JM Chase, JA Daily, TO Elsethagen, BJ Palmer, and TD Scheibe. 2009. "Application of SALSSA Framework to the Validation of Smoothed Particle Hydrodynamics Simulations of Low Reynolds Number Flows." In SciDAC 2009, vol. 180, no. 1, p. 012065. Journal of Physics: Conference Series, San Diego, CA.
Tartakovsky AM, DM Tartakovsky, and P Meakin. 2008. "Stochastic Langevin Model for Flow and Transport in Porous Media." Physical Review Letters 101:Art. No. 044502. doi:10.1103/PhysRevLett.101.044502
Tartakovsky AM, DM Tartakovsky, TD Scheibe, and P Meakin. 2008. "Hybrid Simulations of Reaction-Diffusion Systems in Porous Media." SIAM Journal on Scientific Computing 30(6):2799-2816.
Xu Z, P Meakin, and AM Tartakovsky. 2009. "Diffuse-interface model for smoothed particle hydrodynamics." Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 79(3):Art. No. 036702.
Yang X, TD Scheibe, MC Richmond, WA Perkins, SJ Vogt, SL Codd, JD Seymour, and MI Mckinley. 2013. "Direct Numerical Simulation of Pore-Scale Flow in a Bead Pack: Comparison with Magnetic Resonance Imaging Observations." Advances in Water Resources 54:288-241. doi:10.1016/j.advwatres.2013.01.009