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SciDAC Projects: Groundwater
Tim Scheibe
PNNL-SA-52370
Science Application
• Hybrid Numerical Methods for Multiscale Simulations of Subsurface Biogeochemical Processes– Tim Scheibe (PNNL) – Principal
Investigator• Alexandre Tartakovsky, Bruce Palmer,
Karen Schuhardt (PNNL)• Paul Meakin, George Redden (INL)• Daniel Tartakovsky (UC San Diego)• Scott Brooks (ORNL)
Motivation
• “Scientifically rigorous models of subsurface reactive transport that accurately simulate contaminant mobility across multiple length scales remain elusive.”
• Reason: Disparity in scale between PROCESS and PHENOMENON
Two critical classes of problems:
• Problems with strong media heterogeneity at multiple scales
• Problems with strong coupling between flow, transport, and reaction processes
Na2CO3 CaCl2
Steady state solubility product <CA><CB>. Non-reactive flow, Pe=2.8
t = 1000
t = 3000t = 1000
Changes in solubility product <CA><CB> as result of precipitation. Reactive flow, Pe=2.8
t = 6000
Proposed Approach
• Hybrid Multiscale Modeling– Directly couple models with different process
representations at fundamental scales– Adaptively control which processes / models
are applied in which parts of the model domain
Examples of Multiscale Models
Zoom
Multiscale Systems Engineering Research Center (MSERC),Rensselaer Polytechnic Institute, Dr. Jacob Fish, PI
SciDAC Technologies and
Collaborations• Science Application Partnerships (SAPs):
– Component Software Infrastructure for Achieving High Level Scalability in Groundwater Reactive Transport Modeling and Simulation (Palmer)
– Process Integration, Data Management, and Visualization for Subsurface Simulations (Schuchardt)
• Visualization tools (multiscale) – VACET• High-performance solvers – TOPS• Advanced gridding technologies - ITAPS