Contract Year 1 Review Environmental Quality Modeling

1
Contract Year 1 ReviewEnvironmental Quality
Modeling

• Mary F. Wheeler
• The University of Texas at Austin
• 16 May 2002

2
FA Technical Overview
Top Priorities in EQM

• Accurate, adaptive, parallel, conservative
  discretization methods for flow and transport on
  unstructured meshes
• Scalable linear and nonlinear solvers
• Multiphysics applications
• Multiphase flow capabilities
• Error estimators and indicators
• Parameter and uncertainty estimation
• Integration of emerging computational tools for
  large data sets, grid/metacomputing, interactive
  steering, scientific visualization, mesh
  partitioning, and code couplings

3
FA Technical Overview (cont.)
Efforts Contract Year 1

• CORE
• Staffing (P. Luong left in Feb 2002, replaced by
  J. Hensley in Apr 2002)
• Weekly reports
• User contacts
• FOCUSED EFFORTS
• EQM 001 Enhancing the capabilities of a
  three-dimensional nearshore ocean circulation
  model system (Univ. of Southern Mississippi)
• EQM 002 Improved solvers in TABS (Duke)
• EQM 003 Improvements to ADH and CE-QUAL-ICM
  (UT-Austin)

4
FA Technical Overview (cont.)
Efforts Contract Year 1 (cont.)

• FAPOCs CORE EFFORTS
• Getting contracts in place
• Formulate EQM strategy with user advisory panel
  and CTA lead
• Staffing issues on-site personnel
• Weekly reports
• Frequent contact with CPOC
• Visibility attended conferences, workshops,
  invited talks on PET- and EQM-related activities

5
FA Technical Overview (cont.)

• User Advisory Panel
• Charlie Berger (ERDC/CHL)
• Cheryl Ann Blain (NRL)
• Mark Dortch (ERDC/EVL)
• Stacy Howington (ERDC/CHL)
• Fred Tracy (ERDC/EVL)

6
MetricsTechnical

• EQM User Codes Impacted by PET
• CE-QUAL-ICM (and variants) water quality model
• ADCIRC coastal and estuarine circulation model
• CH3D ocean and coastal circulation model
• ADH Adaptive Hydraulics
• TABS ocean and coastal circulation model
• UTPROJ conservative projection code
• FEMWATER single phase and air/water flow code
• SHORECIRC shore circulation model

7
MetricsTechnical

• Tools Introduced to the Community
• UTPROJ conservative projection code, used to
  link TABS and CE-QUAL-ICM
• Velocity Reconstruction from Fluxes used in
  CE-QUAL-ICM
• UT Kinetic Package geochemical reaction module
  for ADH

8
MetricsTechnical
User ContactsUT Austin
9
MetricsTechnical
Publications and PresentationsUT Austin
Conference Presentations 21 Seminars
8 Journal Articles 14 Technical
Reports 7
10
EQM 001 Enhancing the capabilities of a 3D
nearshore ocean circulation model
The primary goal of this project is to further
develop the capabilities of the ShoreCirc
circulation model system so that all users,
including Naval operations planners for
defense-related activities, can use it.

• Funding Status Fully funded at reduced level
  of 88,772 over 11/01/01 9/30/02
• Chandrasekher Narayanan

• EQM001 Milestonesprogress
• Convert code from F77 to F90
• NetCDF input/output routines incorporated
• API for parallelization complete tested
  successfully on 2-D shallow water code
• Major cleanup of code
• Improvement in boundary conditions
• EQM001 Deliverables
• Monthly report submitted
• Final report on September 31
• Revised code with documentation to user
  community September 31

11
EQM 002 Parallel TABS MDS Model for Simulating
Large Scale Environmental Transport Processes

• Funding Status Fully funded at 170,665 over
  11/01/01 9/30/02
• P.I. Prasada Rao
• Civil Environmental Engineering
• Duke University, Durham, NC

Objective To deliver a parallel version of TABS
MDS model integrated with an iterative solver
and preconditioner

• EQM002 Milestonesprogress
• The code now has an accurate parallel iterative
  solver.
• The parallel code development is in progress
• EQM002 Deliverables
• The work is progressing satisfactorily with no
  problems thus far
• The parallel code will be delivered in 09/02

12
EQM 003 Enhancements to the Adaptive Hydrology
Model and CE-QUAL-ICM
In this project, we will provide enhancements to
the Adaptive Hydrology (ADH) Model, a
hydrodynamics code written by engineers at the
ERDC, and CE-QUAL-ICM, a water quality model also
developed at the ERDC. The planned enhancements
include incorporation of reactive strategies and
air-water models and transport methods in
CE-QUAL-ICM

• Funding Status Fully funded at reduced level
  of 128,506 over 11/01/0110/30/02
• P.I. Mary Wheeler and Clint Dawson

• EQM003 Milestonesprogress
• Reactive transport module delivered to Charlie
  Berger in January 2001 for incorporation into ADH
• DG methods implemented for transport in
  CE-QUAL-ICM and ADCIRC
• Two-phase air-water model developed
• EQM003 Deliverables
• Written progress reports
• Incorporation and testing of DG and other
  two-point, upwind schemes in CE-QUAL-ICM and
  reactive transport module incorporated into ADH
• Comparison to Richards equation model

13
Core Financial Summary
14
Staffing

• Mary Wheeler is FAPOC
• Clint Dawson is Sr. Researcher
• Phu Luong was on-site from inception through 18
  Feb 2002
• Jeff Hensley assumed on-site duties 15 Apr 2002
• Victor Parr has been on staff since inception
• Two post-doctoral researchers will be leaving in
  the summer, to be replaced shortly thereafter
• Two graduate students have also been employed

15
Summary

• Much time and effort spent getting contracts in
  place
• EQM on-site staffing in good shape
• Projects are proceeding as planned, with reduced
  efforts due to budget cuts
• EQM team members are highly visible in the
  community and involved with DOD users
• Some projects, identified as high priority by EQM
  users, have been cut drastically  e.g.,
  multiphysics couplings and conservative
  projections algorithms (UTPROJ)
• Funding issues have made staff retention and
  planning difficult

16
Backup
Technical information follows
17
NotesUser Contacts
UT Austin
18
NotesUser Contacts (cont.)
UT Austin (cont.)
19
NotesUser Contacts (cont.)
UT Austin (cont.)
20
NotesUser Contacts (cont.)
UT Austin (cont.)
21
NotesTechnical (EQM 001)

• User Contacts
• James Kaihatu, NRL (weekly)
• Ib Svendsen, University of Delaware (monthly)
• Kevin Haas, University of Delaware (monthly)
• Results
• Included improvements in physics
• Help with boundary conditions
• Help with test cases

22
Project Financial Summary
23
Project Financial Summary
24
Project Financial Summary
25
NotesTechnical (EQM 003)

• Conference Presentations
• M. F. Wheeler, M. Peszynska, and B. Rivière,
  Locally conservative algorithms for flow and
  transport, and Iterative solvers for multiphase
  flow in porous media, Sixth SIAM Conference on
  Mathematical and Computational Issues in the
  Geosciences, Boulder, Colorado, June 2001.
• M. F. Wheeler, Discontinuous Galerkin methods
  for geoscience applications, Fluid Flow and
  Transport in Porous Media Mathematical and
  Numerical TreatmentA Joint Summer Research
  Conference of American Mathematical Society, the
  Institute of Mathematical Sciences, and the
  Society for Industrial and Applied Mathematics,
  Mount Holyoke College, South Hadley,
  Massachusetts, June 2001.
• M. F. Wheeler, Locally conservative algorithms
  for flow, Department of Defense High Performance
  Computing Modernization Program, Biloxi,
  Mississippi, June 2001.
• M. F. Wheeler, Mortar upscaling for multiphase
  flow in porous media, International Symposium on
  Computational and Applied PDEs, Zhangjiajie,
  China, July 2001.
• M. F. Wheeler, Numerical modeling of flow in
  porous media, Academy of Science, Beijing,
  China, July 2001.
• M. F. Wheeler, Mortar upscaling for multiphase
  flow in porous media, Department of Mathematics,
  University of Maryland at College Park, Maryland,
  October 2001.
• M. F. Wheeler, Solution techniques and dual
  approximation for multiphase flow in porous
  media, Center for Subsurface Modeling Industrial
  Affiliates Meeting, Austin, Texas, October 2001.

26
NotesTechnical (EQM 003)

• Conference Presentations (cont.)
• M. F. Wheeler, Advanced Techniques and
  Algorithms for Reservoir Simulation, II The
  Multiblock Approach in the Integrated Parallel
  Reservoir Simulator (IPARS), IMA Volumes in
  Mathematics and its Applications, Volume 131
  Resource Recovery, Confinement, and Remediation
  of Environmental Hazards. eds J. Chadam, A.
  Cunningham, R. E. Ewing, P. Ortoleva, and M. F.
  Wheeler, Springer-Verlag, 2002.
• M. F. Wheeler, Advanced Software for
  Collaborative Modeling and Simulation of Energy
  and Environmental Applications, NAE Regional
  Meeting, Austin, Texas, March 5, 2002.
• M. F. Wheeler, Discontinuous Galerkin for
  Geoscience Applications, IMA Workshop on
  Mathematical Modeling in the Geosciences,
  University of Minnesota, Minneapolis, Minnesota,
  March 14, 2002.
• C. Dawson, Recent Advances in the Local
  Discontinuous Galerkin Method, University of
  Pittsburgh, October 2001.
• C. Dawson, Discontinuous Galerkin Methods for
  the Shallow Water Equations, Workshop on Finite
  Element Methods in Ocean Modeling, Office of
  Naval Research, McLean, VA, December 2001.
• C. Dawson, Progress on DG-ADCIRC,'' (with D.
  Pothina) ADCIRC Users Group, NavalResearch
  Laboratory, Stennis Space Center, February 2002.
• C. Dawson, The Local Discontinuous Galerkin
  Method for Flow and Transport Problems,'' (with
  V. Aizinger) Workshop on Numerical Methods in the
  Geosciences, Institute for Mathematics and its
  Applications, University of Minnesota, March 2002.

27
NotesTechnical (EQM 003)

• Conference Presentations (cont.)
• C. Dawson, Coupling of different finite element
  methods for EQM applications, (with M.F.
  Wheeler) to be presented at DOD Users Group
  Conference.
• S. Sun, B. Rivière, M. F. Wheeler, A combined
  method for miscible displacement problem, Recent
  Progress in Computational and Applied PDEs,
  Kluwer Academic/Plenum Publishers, submitted
  2001.
• B. Rivière, M. F. Wheeler, Miscible displacement
  in porous media, Proceedings of the XIV
  International Conference on Computational Methods
  in Water Resources, ed. S. M. Hass Aniz Adeg and
  R. J. Schotting, to appear, 2002.
• M. Guillot, B. Rivière, and M. F. Wheeler,
  Discontinuous Galerkin methods for mass
  conservation equations for environmental
  modeling, Proceedings of the XIV International
  Conference on Computational Methods in Water
  Resources, ed. S. M. Hass Aniz Adeg and R. J.
  Schotting, to appear, 2002.
• B. Rivière and M. F. Wheeler, Non-conforming
  methods for transport with nonlinear reaction,
  Proceedings of Joint Summer Research Conference
  CONM, ed. Z. Chen and R. Ewing, to appear 2002.
• M. Peszynska, E. W. Jenkins, and M. F. Wheeler,
  Boundary conditions for fully implicit two-phase
  flow models, to appear in Proceedings of Barrett
  Lecture Meetings, University of Tennessee, May
  2001.
• C. Dawson and V. Aizinger, ''Discontinuous
  Galerkin methods for shallow water flow and
  transport,'' to appear in Proceedings,
  Computational Methods for Water Resources XII,
  June 25-28, Delft University of Technology,
  2002. 

28
NotesTechnical (EQM 003)

• Seminars
• B. Rivière, Discontinuous Galerkin Methods for
  Solving Flow and Transport Problems, Texas tech
  University, February, 2002. Also University of
  Washington, February, 2002 University of
  Delaware, February, 2002 and Worcester
  Polytechnic Institute, February 2002.
• B. Rivière, An Introduction to Finite Element
  Methods, Worcester Polytechnic Institute,
  February 2002.
• B. Rivière, Discontinuous Galerkin Methods for
  Solving Flow and Transport Problems, University
  of California at Davis, January 2002.
• B. Rivière, Discontinuous Finite Element Methods
  for Transport and Two-phase Flow Problems, The
  University of Pittsburgh, January 2002.
• B. Rivière, Discontinuous Methods for Modeling
  Subsurface Phenomena, Clemson University,
  January 2002
• B. Rivière, Discontinuous Galerkin Methods for
  Solving Flow and Transport Problems, Oklahoma
  State University, January 2002.
• B. Rivière, Discontinuous Galerkin Applications
  to Multinumerics and Multiphase Flow, The
  University of Texas at Austin, November 2001.
• B. Rivière, Locally Conservative Methods for
  Flow in Porous Media, The University of
  Pittsburgh, September 2001.

29
NotesTechnical (EQM 003)

• Journal Articles
• M. Peszynska, M. F. Wheeler, and I. Yotov,
  Mortar upscaling for multiphase flow in porous
  media, Computational Geosciences, 6, 2002.
• J. Wheeler, M. Wheeler, and I. Yotov, Enhanced
  velocity mixed finite element method for flow in
  multiblock domain, to appear in Computational
  Geosciences.
• C. Dawson and J. Proft, Coupling of continuous
  and discontinuous Galerkin methods for transport
  problems, to appear in Computer Methods in
  Applied Mechanics and Engineering.
• B. Cockburn and C. Dawson, Approximation of the
  velocity by coupling discontinuous Galerkin and
  mixed finite element methods, to appear in
  Computational Geosciences.
• A. Mazzia, L. Bergamaschi, C. Dawson and M.
  Putti, Godunov mixed methods on triangular grids
  for advection-dispersion equations, to appear in
  Computational Geosciences.
• V. P. Luong, C. P. Breshears, L. N. Ly,
  Application of Multiblock Grid and Dual-Level
  Parallelism in Coastal Ocean Circulation
  Modeling to appear in Journal of Scientific
  Computing.
• B. Rivière and M. F. Wheeler, Coupling Locally
  Conservative Methods for Single Phase Flow, to
  appear in Computational Geosciences.
• B. Rivière, S. Shaw, M. F. Wheeler, and J. R.
  Whiteman, Discontinuous Galerkin Finite Element
  Methods for Linear Elasticity and Quasistatic
  Linear Viscoelasticity, to appear in Numerische
  Mathematik.

30
NotesTechnical (EQM 003)

• Journal Articles (cont.)
• B. Rivière and M. F. Wheeler, Discontinuous
  Galerkin Methods for Flow and Transport Problems
  in Porous Media, Communications in Numerical
  Methods in Engineering, 18, pp. 63-68, 2002.
• B. Rivière and M. F. Wheeler, A Posteriori Error
  Estimates and Mesh Adaptation Strategy for
  Discontinuous Galerkin Methods Applied to
  Diffusion Problems, Computers and Mathematics
  with Applications, submitted in 2000, to appear.
• B. Rivière and M. F. Wheeler, Coupling locally
  conservative methods for single phase flow, to
  appear in Computational Geosciences.
• C. Dawson and J. Proft, Coupling of continuous
  and discontinuous Galerkin methods for transport
  problems,'' to appear in Computer Methods in
  Applied Mechanics and Engineering.
• B. Cockburn and C. Dawson, ''Approximation of the
  velocity by coupling discontinuous Galerkin and
  mixed finite element methods,'' to appear in
  Computational Geosciences.
• A. Mazzia, L. Bergamaschi, C. Dawson and M.
  Putti,''Godunov mixed methods on triangular grids
  for advection-dispersion equations,'' to appear
  in Computational Geosciences.

31
NotesTechnical (EQM 003)

• Technical Reports
• S. Lacroix, Y.Vassilevski, J.Wheeler, and
  M.Wheeler, Iterative solution methods for
  modeling multiphase flow in porous media fully
  implicitly, submitted to SISC.
• M. Peszynska, E. W. Jenkins, and M. F. Wheeler.
  Boundary conditions for fully implicit two-phase
  flow models. TICAM 01-38, December 2001. 
  Submitted for publication.
• E. W. Jenkins, M. F. Wheeler, and J. A. Wheeler.
  Agglomeration Multigrid Methods for Two-Phase
  Flow Models. Submitted for publication.
• E. W. Jenkins and B.  Rivière. Geoscientists
  meet in Colorado to explore increasingly complex,
  multidisciplinary problems.  SIAM News, 34, no.
  9, November 2001.
• M. Guillot, B. Rivière, and M. F. Wheeler,
  Implementation of a discontinuous Galerkin
  discretization of the mass conservation equations
  in CEQUAL-ICM, Texas Institute for
  Computational and Applied Mathematics Report
  02-09, 2002.
• V. Girault, B. Rivière, and M. F. Wheeler, A
  discontinuous Galerkin method with
  non-overlapping domain decomposition for the
  Stokes and Navier-Stokes problems, Texas
  Institute for Computationa and Applied
  Mathematics Report 02-08, submitted 2002.
• B. Rivière and M. F. Wheeler, Non-conforming
  methods for transport with nonlinear reaction,
  Texas Institute for Computationa and Applied
  Mathematics Report 01-29, 2001.

32
EQM 003 Results
CE-QUAL-ICM with DG method
Six day simulation of 1-D river flow of salinity
and surface temperature. Salinity increasing
from 10 to 12 gm/cm3 over 1.5 days Salinity and
temperature distribution at t 3days. Note that
DG method gives sharper salinity front and more
accurate temperature distribution.
Salinity
Surface Temperature
33
EQM 003 Results (cont.)
Discontinuous Galerkin implemented in ADCIRC code
Quarter Mesh
Finite element mesh for quarter annular test
problem. Outer boundary is an open sea boundary
other boundaries are land boundaries.
34
EQM 003 Results (cont.)
Discontinuous Galerkin implemented in ADCIRC code
(cont.)
Comparison of elevation solutions from ADCIRC,
DG-ADCIRC, and UTBEST at one point in the domain.
Horizontal axis is time step.
35
EQM 003 Results (cont.)
Discontinuous Galerkin implemented in ADCIRC code
(cont.)
Comparison of x-velocity vs. time for ADCIRC,
DG-ADCIRC, and UTBEST at one point in the domain.
36
EQM 003 Results (cont.)
Discontinuous Galerkin implemented in ADCIRC code
(cont.)
Comparison of y-velocity vs. time for ADCIRC,
DG-ADCIRC, and UTBEST at one point in the domain.
37
EQM 003 Results (cont.)
Vauclin Test Problem Domain
Vadose zone water table recharge (Water Resources
Reseach, 1979)
38
EQM 003 Results (cont.)
Vauclin Test ProblemWater Pressure
Day 1
Day 301
1
Day 701
Day 1901
Pressure contours at various days after
infiltration Vadose zone water table
recharge (Water Resources Reseach, 1979)
39
EQM 003 Results (cont.)
Vauclin Test ProblemWater Saturation
Day 1
Day 301
Day 701
Day 1901
Saturation contours at various days after
infiltration Vadose zone water table
recharge (Water Resources Reseach, 1979)
40
Couplex1 Case DescriptionBoundary Conditions
EQM 003 Results (cont.)
B.C. for flow sub-problem
B.C. for transport sub-problem
source
41
Couplex1 Case DescriptionRelease of source
EQM 003 Results (cont.)
42
Pressure Head and Velocity Fields
EQM 003 Results (cont.)
43
EQM 003 Results (cont.)
Concentration Velocity of Iodine at 400k years
(meters)
(meters)