[en] Mimetic discretizations based on the support-operators methodology are derived for non-orthogonal locally refined quadrilateral meshes. The second-order convergence rate on non-smooth meshes is verified with numerical examples

[en] We present a new method of metric recovery for minimization of L_p-norms of the interpolation error or its gradient. The method uses edge-based a posteriori error estimates. The method is analyzed for conformal simplicial meshes in spaces of arbitrary dimension d

[en] Highlights: • High-order DG schemes for level set equations on polygonal meshes. • New algorithms for velocity reconstruction inside mesh cells from boundary data. • Using Taylor expansion to calculate the normalized solution gradient. -- Abstract: We propose and analyze discontinuous Galerkin schemes for solving level set equations on polygonal meshes. For linear equations, we assume that the velocity is given only on the cell surface. Velocity inside mesh cells is approximated using virtual element projectors on polynomial spaces. For nonlinear equations, we use the Taylor expansion to approximate the normalized solution gradient. We analyze the new schemes for a set of typical level set problems using square and polygonal meshes. The numerical results indicate great potential for using polygonal meshes in applications.

[en] This study presents an innovative approach for sustainable and cost-effective groundwater monitoring. This approach takes advantage of recent advances in various technologies: (1) in situ autonomous sensors, (2) big data analytics, and (3) parallel high-performance computing for flow and reactive transport modeling. In situ sensors are used to periodically measure the key variables (such as pH, redox potential, electrical conductivity, and groundwater level), which control contaminant mobility and the plume spatial and temporal distribution. Based on a limited number of groundwater sampling, the data analytics methods-data mining and machine learning-allow us to identify and quantify the correlations between the in situ-measured variables and contaminant concentrations, and also to detect significant changes associated with the plume mobility. In addition, a state-of-the-art parallel numerical flow and reactive transport simulator Amanzi, and uncertainty quantification software Agni are used to provide an improved physical and mechanistic understanding of the contaminated groundwater system behavior, and to predict the long-term plume distribution for optimizing and adapting the monitoring strategy. Amanzi and Agni were developed as part of the Advanced Simulation Capability for Environmental Management (ASCEM) program of the DOE Office of Environmental Management. Such modeling is critical, particularly, for assessing the impact of climate change and associated hydrological shifts. The developed approach is expected to significantly reduce the groundwater sampling frequency and associated cost. In addition, the real-time information on plume mobility serves as an early warning system, improving the resiliency of contaminated or potentially contaminated sites. We demonstrate this approach using as an example the Savannah River Site (SRS) F-Area, where groundwater is contaminated by various radionuclides, including uranium, tritium and technetium. (authors)

[en] Numerical schemes for nonlinear parabolic equations based on the harmonic averaging of cell-centered diffusion coefficients break down when some of these coefficients go to zero or their ratio grows. To tackle this problem, we propose new mimetic finite difference schemes that use a staggered discretization of the diffusion coefficient. The primary mimetic operator approximates div (k•); the derived (dual) mimetic operator approximates - ∇(•). The new mimetic schemes preserve symmetry and positive-definiteness of the continuum problem which allows us to use algebraic solvers with optimal complexity. We perform detailed numerical analysis of the new schemes for linear elliptic problems and a specially designed linear parabolic problem that has solution dynamics typical for nonlinear problems. We also show that the new schemes are competitive with the state-of-the-art schemes for steady-state problems but provide much more accurate solution dynamics for the transient problem.

[en] Highlights: • New high-order DG schemes for data remap based on virtual element projectors. • Schemes can handle polygonal meshes with curved edges. • A modification of the Barth-Jespersen limiter that enforces the conservation law. -- Abstract: A data transfer (called later remap) of physical fields between two meshes is an important step of arbitrary Lagrangian-Eulerian (ALE) simulations. This step is challenging for high-order discontinuous Galerkin schemes since the Lagrangian flow motion leads to high-order meshes with curved faces. It becomes even more challenging for unstructured polygonal meshes that do not have a polynomial map from the reference to a current cell. We propose and analyze a new framework to create remap schemes on curvilinear polygonal meshes based on the theory of virtual element projectors. We derive a conservative remap scheme that is high-order accurate in space and time. The properties of this scheme are studied numerically for smooth and discontinuous fields on unstructured quadrilateral and polygonal meshes.

[en] We investigate the impact of climate change on residual contaminants in soil and groundwater under sustainable remediation. We illustrate seven climate change scenarios which mimic shifts in the precipitation regime as well as the failure of the source-zone cap. We evaluate different performance metrics including contaminant concentrations at multiple wells and export to a creek. The approach is demonstrated by simulating the tritium plume migration at the Savannah River Site F-Area, USA. The cap integrity is critical not only to reduce the well concentrations and export but also to reduce the uncertainty associated with the climatic variability. Sampling or in situ monitoring near the source zone is important for the early detection of plume mobility changes. Realistic hydrological models are necessary to evaluate the trade-offs (mobility vs dilution)

[en] Communication with stakeholders, regulatory agencies, and the public is an essential part of implementing different remediation and monitoring activities, and developing site closure strategies at contaminated sites. Modeling of contaminant plume evolution plays a critical role in estimating the benefit, cost, and risk of particular options. At the same time, effective visualization of monitoring data and modeling results are particularly important for conveying the significance of the results and observations. In this paper, we present the results of the Advanced Simulation Capability for Environmental Management (ASCEM) project, including the discussion of the capabilities of newly developed ASCEM software package, along the its application to the F-Area Seepage Basins located in the U.S. Department of Energy Savannah River Site (SRS). ASCEM software includes state-of-the-art numerical methods for simulating complex flow and reactive transport, as well as various tool-sets such as a graphical user interface (GUI), visualization, data management, uncertainty quantification, and parameter estimation. Using this software, we have developed an advanced visualization of tritium plume migration coupled with a data management system, and simulated a three-dimensional model of flow and plume evolution on a high-performance computing platform. We evaluated the effect of engineered flow barriers on a nonreactive tritium plume, through advanced plume visualization and modeling of tritium plume migration. In addition, we developed a geochemical reaction network to describe complex geochemical processes at the site, and evaluated the impact of coupled hydrological and geochemical heterogeneity. These results are expected to support SRS's monitoring activities and operational decisions. (authors)

[en] Long-term monitoring of contaminant transport in groundwater is expected to account for a large fraction of future life-cycle cleanup costs at the DOE sites. The Attenuation-Based Remedies in the Subsurface Applied Field Research Initiative (ABRS AFRI) is developing an innovative approach for cost-effective in situ long-term monitoring. The approach is based on strategically adding the measurements of controlling variables (such as pH, redox potential, electrical conductivity, and groundwater level), which control the plume mobility and its spatial and temporal distribution. In situ measurements of these variables - supplemented with a reduced number of standard periodic groundwater samples - are expected to lead to more cost-effective monitoring, and can also serve as an early warning system for detecting unexpected plume migration. The objective of this study is to support the development of such a long-term monitoring approach through the application of advanced computational methods, including (1) statistical data mining and analysis, and (2) three-dimensional flow and reactive chemical transport modeling. We have performed the statistical data analysis of historical and current monitoring data at the Savannah River Site (SRS) F-Area to quantify the correlations between the controlling variables and radioactive contaminant concentrations. In parallel, we have used 3D modeling of flow and contaminant transport to provide the prediction of the contaminant plume evolution. The results of both data analysis and modeling confirmed that the correlations between controlling variables and contaminant concentrations are significant. Modeling results also suggest that the correlation parameters will change in the future, which is important to assess the long-term efficacy of the proposed monitoring approach. (authors)

[en] This paper investigates the impact of natural aquifer's recharge shifts induced by precipitation changes on residual contaminants located in soil and groundwater, subject to sustainable remediation techniques. We illustrate five climate change scenarios which mimic shifts in the natural recharge regime. We evaluate the impact on different performance metrics that include contaminant concentrations at observation wells and contaminant export to a creek. The approach is demonstrated by simulating the tritium plume migration within a U.S. Department of Energy's nuclear reservations: the Savannah River Site F-Area. Results show that increasing the aquifers' recharge initially causes a decrease in the well concentrations due to dilution, and subsequently an increase due to the mobilization of contaminants from the vadose zone. As the recharge shift increases, the peak concentration is higher and may occur at an earlier stage. The mobilized contaminants reach the wells or control planes several years or decades later than the precipitation events thus monitoring near the source zone is important for early detecting mobilized contaminants. Moreover, we observe that, even when the well concentrations are significantly affected, the export at the control planes may not be affected by shifts in the natural recharge regime therefore the risk of downgradient population may be under control even under significant hydrological changes. (authors)