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Publications

Journal Articles

• Published (most recent first):
  • Battiato, I., D. M. Tartakovsky, A. M. Tartakovsky, and T. Scheibe, "On breakdown of macroscopic models of mixing-controlled heterogeneous reactions in porous media,"Advances in Water Resources, 32(11):1663-1673, 2009.
  • Tartakovsky, A. M , G. D Tartakovsky, and T. D. Scheibe, "Effects of incomplete mixing on multicomponent reactive transport," Advances in Water Resources, 32(11):1674-1679, 2009.
  • Meakin, P. and A. Tartakovsky, "Modeling and simulation of pore scale multiphase fluid flow and reactive transport in fractured and porous media," Reviews in Geophysics, 47(3): RG3002, 2009. Link to article
  • Xu, Z. and P. Meakin, "A phase-field approach to no-slip boundary conditions in dissipative particle dynamics and other particle models for fluid flow in geometrically complex confined systems," Journal of Chemical Physics, 130(23): 234103, 2009. Link to article
  • Xu, Zhijie, P. Meakin, and A. M. Tartakovsky, "Diffuse-interface model for smoothed particle hydrodynamics," Physical Review E, 79, 036702, doi:10.1103/PhysRevE.79.036702, 2009. Link to article
  • Meakin, P. and Z. Xu, "Dissipative particle dynamics and other particle methods for multiphase fluid flow in fractured and porous media," Progress in Computational Fluid Dynamics, 9(6/7): 399-408, doi:10.1504/PCFD.2009.027371, 2009. Link to article
  • Xu, Z. and P. Meakin, "Phase-field modeling of solute precipitation and dissolution," Journal of Chemical Physics, 129, 014705, doi:10.1063/1.2948949, 2008 Link to article
  • Tartakovsky, A. M. and S. P. Neuman, "Effects of Peclet number on pore-scale mixing and channeling of a tracer and on directional advective porosity," Geophysical Research Letters, 35, L21401, doi:10.1029/2008GL035895, 2008 Link to article
  • Tartakovsky, A. M., D. M. Tartakovsky, T. D. Scheibe and P. Meakin, "Hybrid simulations of reaction-diffusion systems in porous media," SIAM Journal on Scientific Computing, 30(6):2799-2816, 2008. Link to article
  • Tartakovsky, A. M., G. Redden, P. C. Lichtner, T. D. Scheibe, and P. Meakin, "Mixing-induced precipitation: Experimental study and multi-scale numerical analysis," Water Resources Research, 44, W06S04, doi:10.1029/2006WR005725, 2008. Link to article
  • Scheibe, T., P. Meakin, P. Lichtner, and D. Zachmann, "Science for Problems under the Surface," SciDAC Review, Issue 7, Spring 2008 PDF File
• In Press:
  • R. Ramanathan, R., A. Guin, R. W. Ritzi, D. F. Dominic, V. L. Freedman, T. D. Scheibe, and I. A. Lunt, "Simulating the heterogeneity in channel belt deposits: Part 1, A geometric-based methodology and code," accepted October 2009 for publication in Water Resources Research, in press.
  • Guin, A. R. Ramanathan, R. W. Ritzi, D. F. Dominic, I. A. Lunt, T. D. Scheibe, and V. L. Freedman, "Simulating the heterogeneity in channel belt deposits: Part 2, Examples of results and comparison to natural deposits," accepted October 2009 for publication in Water Resources Research, in press.
  • Palmer, B., V. Gurumoorthi, A. Tartakovsky, and T. Scheibe, "A Component Based Framework for Smoothed Particle Hydrodynamics Simulations of Reactive Fluid Flow in Porous Media," accepted November 2009 for publication in International Journal of High Performance Computing Applications, in press.
• Submitted:
  • Xu, Z. and P. Meakin, "A hybrid model of dissipative particle dynamics coupling phase-field approach for simple- and arbitrary complex-geometry flows," submitted, 2009.
  • Tartakovsky, A. M., Z. Xu, and P. Meakin, "Lagrangian particle models for biological systems," submitted for inclusion in Porous Media: Applications in Biological Systems and Biotechnology (book chapter), in review.
• Related: The following articles describe recent advances made by project staff on the Smoothed Particle Hydrodynamics (SPH) method for pore-scale modeling of flow and reactive transport. These three articles are not a direct outcome of this SciDAC project but are related to tools being extended and integrated under this SciDAC project.
  • Tartakovsky, A. M., T. D. Scheibe, and P. Meakin, "Pore-scale model for reactive transport and biomass growth," Journal of Porous Media, 12(5): 417-434, DOI:10.1615/JPorMedia.v12.i5.30, 2009.
  • Tartakovsky A. M., P. Meakin, T. D. Scheibe, and R. M. Eichler West, "Simulations of reactive transport and precipitation with smoothed particle hydrodynamics." Journal of Computational Physics, 222(2):654-672, 2007. doi:10.1016/j.jcp.2006.08.013
  • Tartakovsky, A. M., P. Meakin, T. Scheibe, and B. D. Wood, "A smoothed particle hydrodynamics model for reactive transport and mineral precipitation in porous and fractured porous media," Water Resources Research, 43(5):Art. No. W05437, doi:10.1029/2005WR004770, 2007.
  • Tartakovsky, A. M., T. D. Scheibe, and P. Meakin, "Pore-scale model for reactive transport and biomass growth," Journal of Porous Media, 12(5): 417-434, DOI:10.1615/JPorMedia.v12.i5.30, 2009.

Conference Proceedings

• The following papers from the SciDAC 2009 conference in June 2009 have been published in the conference proceedings issue of the Journal of Physics: Conference Series:
  • Schuchardt, K., J. Chase, J. Daily, T. Elsethagen, B. Palmer and T. Scheibe, 2009. Application of the SALSSA framework to the validation of smoothed particle hydrodynamics simulations of low Reynolds number flows, Journal of Physics: Conference Series 180: 012065. PDF File
  • Palmer,B., Y. Fang, V. Gurumoorthi, G. Hammond, J.Fort and T. Scheibe, 2009. Developing a component-based framework for subsurface simulation using the Common Component Architecture, Journal of Physics: Conference Series 180: 012064. PDF File
• Scheibe, T. D., A. M. Tartakovsky, D. M. Tartakovsky, G. D. Redden, P. Meakin, B. J. Palmer and K. L. Schuchardt. "Hybrid numerical methods for multiscale simulations of subsurface biogeochemical processes," Journal of Physics: Conference Series 125: 012054 doi:10.1088/1742-6596/125/1/012054 PDF File (SciDAC 2008 Proceedings).
• Chase, J. M., K. L. Schuchardt, G. Chin, Jr., J. A. Daily, and T. D. Scheibe. "Iterative workflows in numerical simulations," In proceedings of IEEE - The Second International Workshop on Scientific Workflows (SWF ’08) , Hawaii, July 8, 2008. PDF File
• The following papers from the SciDAC 2007 conference in June 2007 have been published in the conference proceedings issue of the Journal of Physics: Conference Series:
  • Scheibe, T. D., A. M. Tartakovsky, D. M. Tartakovsky, G. D. Redden, and P. Meakin, 2007. Hybrid numerical methods for multiscale simulations of subsurface biogeochemical processes, Journal of Physics: Conference Series 78: 012063 doi:10.1088/1742-6596/78/1/012063. PDF File
  • Meakin, P., A. Tartakovsky, T. Scheibe, D. Tartakovsky, G. Redden, P. E. Long, S. C. Brooks, and Z. Xu, 2007. Particle methods for simulation of subsurface multiphase fluid flow and biogeological processes, Journal of Physics: Conference Series 78:012047 doi:10.1088/1742-6596/78/1/012047 PDF File
  • Palmer, B. J, Y. Fang, G. E. Hammond, and V. Gurumoorthi, 2007. Component-based framework for subsurface simulations, Journal of Physics: Conference Series 78:012047 doi:10.1088/1742-6596/78/1/012047 PDF File
  • Schuchardt, K.L., G. D. Black, J. M. Chase, T. O. Elsethagen and L. Sun, 2007. Process integration framework for subsurface simulations, Journal of Physics: Conference Series 78:012047 doi:10.1088/1742-6596/78/1/012047 PDF File

Project Reports

Cover Illustrations

• Visualization of pore-scale flow simulation using CFD methods. Simulation performed by Cindy Rakowski (PNNL); visualization by John Serkowski (PNNL). Appears on the cover of the ASCR workshop report Scientific Impacts and Opportunities for Computing PDF File
  
  (Click to view larger image)
• Visualization of pore-scale flow simulation by Smoothed Particle Hydrodynamics. Simulation performed by Bruce Palmer (PNNL); visualization by Chad Jones and Kwan-Liu Ma of the SciDAC Institute for Ultra-Scale Visualization. Appears on the back cover of the SciDAC 2008 Proceedings.
  
  (Click to view larger image)