A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations
Abstract
Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, or system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales ismore »
- Authors:
-
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sandia National Laboratory, Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1194283
- Alternate Identifier(s):
- OSTI ID: 1214668
- Report Number(s):
- PNNL-SA-107927
Journal ID: ISSN 1877-0509; 47712; KP1704020
- Grant/Contract Number:
- AC05-76RL01830; AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Procedia Computer Science
- Additional Journal Information:
- Journal Volume: 51; Journal Issue: C; Journal ID: ISSN 1877-0509
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 54 ENVIRONMENTAL SCIENCES; Environmental Molecular Sciences Laboratory; 58 GEOSCIENCES; 97 MATHEMATICS AND COMPUTING
Citation Formats
Scheibe, Timothy D., Yang, Xiaofan, Chen, Xingyuan, and Hammond, Glenn E. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations. United States: N. p., 2015.
Web. doi:10.1016/j.procs.2015.05.276.
Scheibe, Timothy D., Yang, Xiaofan, Chen, Xingyuan, & Hammond, Glenn E. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations. United States. https://doi.org/10.1016/j.procs.2015.05.276
Scheibe, Timothy D., Yang, Xiaofan, Chen, Xingyuan, and Hammond, Glenn E. Mon .
"A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations". United States. https://doi.org/10.1016/j.procs.2015.05.276. https://www.osti.gov/servlets/purl/1194283.
@article{osti_1194283,
title = {A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations},
author = {Scheibe, Timothy D. and Yang, Xiaofan and Chen, Xingyuan and Hammond, Glenn E.},
abstractNote = {Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, or system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application-specific and sometimes ad-hoc approaches for model coupling. We are developing a generalized approach to hierarchical model coupling designed for high-performance computational systems, based on the Swift computing workflow framework. In this presentation we will describe the generalized approach and provide two use cases: 1) simulation of a mixing-controlled biogeochemical reaction coupling pore- and continuum-scale models, and 2) simulation of biogeochemical impacts of groundwater – river water interactions coupling fine- and coarse-grid model representations. This generalized framework can be customized for use with any pair of linked models (microscale and macroscale) with minimal intrusiveness to the at-scale simulators. It combines a set of python scripts with the Swift workflow environment to execute a complex multiscale simulation utilizing an approach similar to the well-known Heterogeneous Multiscale Method. User customization is facilitated through user-provided input and output file templates and processing function scripts, and execution within a high-performance computing environment is handled by Swift, such that minimal to no user modification of at-scale codes is required.},
doi = {10.1016/j.procs.2015.05.276},
journal = {Procedia Computer Science},
number = C,
volume = 51,
place = {United States},
year = {Mon Jun 01 00:00:00 EDT 2015},
month = {Mon Jun 01 00:00:00 EDT 2015}
}
Web of Science
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Works referencing / citing this record:
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