Abstract
It has long been recognized that modeling of the transport and fate of contaminants is a computational challenge of the first magnitude, a so called "grand challenge," because of the complexity, variation in temporal and spatial scales, requirements of accuracy, and urgency of the problems at hand. What has been less appreciated is the scope of the many multiple interconnected challenges that must be addressed to make substantial progress in the computational modeling of these complex physical, chemical, and biological systems. This paper presents the advances in high-performance computing of subsurface reactive transport. The physical bases of reactive transport are outlined first. Then the development of parallel two-dimensional and three-dimensional subsurface reactive transport codes at Sandia National Laboratory and Oak Ridge National Laboratory using different hardware platforms is discussed. Performance of these highly parallel codes against their serial counterparts and the application of these codes to a benchmark problem and a proposed waste disposal site are given.
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