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From Research to Operational Tools: elements of strategy to valorize the results of GNR MoMaS

From Research to Operational Tools: elements of strategy to valorize the results of GNR MoMaS. Andra - Laurent LOTH. Summary. Numerical Simulation at Andra The radwaste repository projects and their milestones First feedback of the tools used up to now by Andra

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From Research to Operational Tools: elements of strategy to valorize the results of GNR MoMaS

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  1. From Research to Operational Tools: elements of strategy to valorize the results of GNR MoMaS Andra - Laurent LOTH C.TR.AEAP.09.0091

  2. Summary • Numerical Simulation at Andra • The radwaste repository projects and their milestones • First feedback of the tools used up to now by Andra • Consequences for development requests • The GNR MoMaS • Goals • Results • Questions • Proposals • Scientific themes • Expected results C.TR.AEAP.09.0091

  3. Numerical Simulation at Andra C.TR.AEAP.09.0091

  4. Simulation for the repositories(1/2) Centre Meuse/Haute Marne / projet HA-MAVL High-Level and intermediate-level long-lived radwaste Deep geological reversible repository Centers/Projects Projet FAVL (Low-level and long lived radwaste) (Radifer - Graphite) Surface and low-depth repository Centre de surface (Low and very low-level radwaste) CSFMA, CSTFA centre Manche Numerical Simulation: an adequatetool for the modelling of elementary mechanisms at the various scales the dimensioning and interpretation of experiments, in particular at the Underground Laboratory Application Fields Phenomenological evolution modelling (PARS) Performance/Safety Analysis Design & Conception C.TR.AEAP.09.0091

  5. Simulation for the repositories (2/2) • Simulation of elementary mechanisms • Apprehend physical processes at very-small scales (nano, meso, micro) et transition to macro-scale • Understanding of « mechanical » interactions solid/solid/fluid • Transfer of fluid or gas in a porale structure ... • Work performed within research laboratories • Numerical Problems centered on ab-initio, molecular modelling, … • Simulation of repository • Represent end Quantify the THMCR phenomenological evolution of components (waste, package, cell, galleries, geological media, …) at the repository time scales • Chemical deterioration of concrete • 2 phase-flow with production and migration of gas in the repository, • Release of RN out of the waste packages and migration through the repository structures and geological media,… • Performance and safety assessment of the repository : performance and dose indicators • Work performed within Andra and by its partners or engineering companies • Numerical Problems centered on numerical methods : discretization, solver, meshing, .. C.TR.AEAP.09.0091

  6. The main milestones of Andrauntil 2014 (1/2) 2009 2010 2011 2012 2013 2014 HAVL APSS / Phenomenologiy phenomenological simulations Preliminary calculations Safety evaluation Choose of design options APS Selectionof the site DAC FAVL ? Calculations / Simulations / Feasability studies Preliminary calculations Safety evaluation Selection of the site DAC Tools stabilized version for the years 2012-2014 Centre Manche Calculations Program will be defined after the evaluation Safety report Centre Aube Hydraulic model review and characterization Preliminary calculations/ Safety evaluation Safety report C.TR.AEAP.09.0091

  7. The main milestones of Andra until 2014 (2/2) • Strong time schedule for all Andra’s Projects • So, it’s necessary to dispose of robust and efficient tools, able to take into account the complexity of processes and geometries but focused on our main applications. • Tools current features and foreseen developments : • Starting from existing and broadly used tools • Possibility to increase the capabilities in physical and numerical functionalities, • Possibility to couple tools easily • Some assessments • Andra must answer to the questions from the different regulators (Scientific Council, CNE, safety authority, …) • A keypoint : the time/space understanding of physical processes in each part of the system (PARS) • Numerical simulation  major tool to fullfill objectives C.TR.AEAP.09.0091

  8. First feedback of the tools used as of today by Andra (1/4) • Since 2005, progress in terms of methods and tools, related to: • Hydraulic and solute transfer • 2 phase-flow with production and migration of gas • Chemical transfer • Sensitivity and uncertainty analysis • A decisive step in computation performance: • Progressive implementation of high performance computing • Capacity to model the whole repository • Methods and tools are about to fulfill targeted requests for DAC C.TR.AEAP.09.0091

  9. First feedback of the tools used as of today by Andra (2/4) • Flow and solute transfer through the repository structures (whole repository design) and the COX (Porflow) • Sensitivity and uncertainty analysis • Use of metamodel built by neural network method (cf. presentation of G. Pépin and J. M. Martinez) Maillage représentant toutes les zones et tous les composants du stockage: environ 10 millions de mailles Champ de concentration en I129 à 90.000 ans Champ de charge hydraulique C.TR.AEAP.09.0091

  10. First feedback of the tools used as of today by Andra (3/4) • Two-phase flow and gaz transfer through the repository (Tough2_MP) HLW disposal zone ILLW disposal zone Gas pressure (Bars) Access zone Schematic of a generic plan view of a part of the repository, with indication of zones and sectors Schematic of the methodology: Spatial subdivision into zones and sectors, multiplication and connection 10 C.TR.AEAP.09.0091

  11. First feedback of the tools used as of today by Andra (4/4) • Carbonatation and dissolution of the portlandite of the package and work concretes(Tough-React) • Cf. presentation of B. Cochepin Argilites CO2 CO2 Argilites partiellement désaturées Matériau cimentaire (revêtement/conteneur) O2 Air (O2, CO2…) épaisseur de dissolution de la portlandite du colis de stockage : quelques cm en 100 ans. Eau cimentaire saine Eau quasi-pure issue des argiles Conteneur primaire Déchets Dégradation des déchets Limite de désaturation, limite de l’oxydation partielle de la pyrite et de la MO Limite de la carbonatation atmos-phérique des matériaux cimentaires Limite de la corrosion du fût primaire Limite de la dégradation des matériaux cimentaires Portlandite à t=0 Corrosion à l’état passif des armatures des colis de stockage Portlandite à t=1500 ans Calcite à t=0 Calcite à t=1500 ans Portlandite à t=100 ans S. Gaboreau, F. Claret (2009) – BRGM/RP-57194-FR C.TR.AEAP.09.0091

  12. Consequences for development requirements • For hydraulic flow and solute transfer in saturated porous media, tools have now a high level of performance and robustness • Consequently, the evolutions are in the margin • Progress of solvers and computer capacities decreases the level of interest in some approaches • e.g., the range of application in using term source homogenization and space domain decomposition methods could be reduced with HPC • Tools are sometimes in advance on data • The credibility of simulation implies a strong link with experimentation • To be able to reproduce by simulation some experimentation (calibration) • To extrapolate results on long time and large space scales C.TR.AEAP.09.0091

  13. The GNR MoMaS C.TR.AEAP.09.0091

  14. GNR MoMaS Goals • Gather the knowledge in methods and numerical analysis, in mathematical modeling and in simulation to benefit of the state of the art in the field of repository simulation • Ensure communicationbetween applied mathematics and otherscientific fields organized such as GNR (or similar) • Develop new ideas about phenomena and tools to keep on increasing the level of understanding • Developresearchlevelworklinked to new modeling and the numerical issues raised by radwaste disposal simulation • Highlight research work on practical applications, by improving coupling of knowledge and scientific tools within the community of the applied mathematics C.TR.AEAP.09.0091

  15. Results(1/3) • Gather the competences • The GNR involves many research laboratories. • It proposes benchmarks to international scientific community • Develop new ideas and research-levelwork • Many scientific publications • Members attend conferences with some specific sessions linked to topics of GNR • GNR organizes specific workshops about relevant topics, and open discussions with other teams • Ensure communication with other scientific fields • Useful and necessary cooperation between scientific fields • Previous discussions/exchange with other GNR (FORPRO et PARIS) but some difficulties to set up common projects C.TR.AEAP.09.0091

  16. Results(2/3) • Highlight research work on practical applications • Andra’s requirements are related to practical cases in terms of physical representation and numerical tools • They are reflected in the evolution of GNR themes since 2002, in order to improve the modelization of the physical processes and repository structures • Examples of added-value • Reactive Transport • Significant progress (Benchmarks, PhDs at INRIA and IMFS, etc.) especially on the different coupling methods and their application field • Need to take into account much more complex chemical processes: kinetics, flow and transport input data retroaction, number of species, … C.TR.AEAP.09.0091

  17. Results(3/3) and however… • The added-value from GNR MoMaS Research • work could be of more benefit for ANDRA… C.TR.AEAP.09.0091

  18. Questions • Some difficulties • Gap between research work and operational tools • Development of operational tools, validated, documented, and maintained requires a large amount of work, • The structure and funding of GNR MOMAS are not appropriate to sustain such a transition to operational tools • Research missions are hardly adapted to development and validation of new methods and tools in case of large scale realistic applications • Example : particle-tracking methods in far field require the development of a new tool • Simulation tools structure is not always fitted to test new numerical methods • Example : Jacobian matrix of chemical system, needed for some coupled algorithms, is not available in geochemistry codes C.TR.AEAP.09.0091

  19. Some proposals C.TR.AEAP.09.0091

  20. Scientificthemes(1/2) • Themes in relation with the physical processes • Two-phase flows and radionuclide transfer • Few available tools, but involved physics is enriching continuously • Example : the wide range of “EOS” modules for “Tough” code family • Progress is still needed in terms of robustness and performance • Reactive Transport • Coupling algorithms often face convergence trouble when modelling complexity increases • It is needed to diversify numerical approaches to deal efficiently with the various configurations • But... computation time rapidly increases and becomes prohibitive • An open investigation field: multi-scale modelling • An advanced theme, upstream from the operational tools, strongly linked with other disciplines and the experimental field • Building models at the various scales considered, based upon the elementary mechanisms • Approximations when up-scaling must be quantified C.TR.AEAP.09.0091

  21. Scientificthemes(2/2) • Numerical themes are primarily aimed at robustness, performance and accuracy • Error estimation primes over fifth decimal accuracy... • For the simulation of flow and solute transfer: • Many tools are available, many of them have reached maturity, both in terms of physics taken into account and of resolution methods used • Further needs target: • Error control, High Performance Computation (HPC) • Time discretization control • Mesh control C.TR.AEAP.09.0091

  22. ExpectedResults(1/2) • Kinds of works • Do not try to develop “complete” industrial codes • Andra does not expect new fully integrated tools as Porflow, Tough2, Comsol, etc., able to deal with problems at all repository scales • Develop algorithms candidate for integration in existing simulation tools, in direct link with the computers evolution • Example: Parallel Solvers, Solvers under constraint, Coupling algorithms • Favour continuity in the tools development • Example: development of the Traces code at IMFS, the host structure for algorithm studies • Multidisciplinarity is crucial to ensure the link between experiment, modelling and simulation • Benchmarking activities tightly linked with applications and experimentation are important to: • Compare methods and tools • Strengthen the confidence in the simulation results C.TR.AEAP.09.0091

  23. ExpectedResults(2/2) • Implication of Andra • Improve requirements description • Associate correspondents dedicated to the different themes in direct link with simulation at Andra • Put the stress on the valorisation of validated results in tools • Definition of comparative benchmarks • Ensure the link with software editors and/or engineering companies • Widen the thematic field to Andra’s Scientific Division at large • Example : a Ph.D. Thesis just began in collaboration with the Transfer & Migration Department • Ensure the link with the experimental field C.TR.AEAP.09.0091

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