from research to operational tools: elements of strategy to valorize the results of gnr momas

AGENCE NATIONALE POUR LA GESTION DES DÉCHETS RADIOACTIFS© Andra

Andra - Laurent LOTH

From Research to Operational Tools: elements of strategy to valorize the

results of GNR MoMaS

November 23th of 2009

C.TR.AEAP.09.0091

AGENCE NATIONALE POUR LA GESTION DES DÉCHETS RADIOACTIFS© Andra© Andra

Summary

Numerical Simulation at AndraThe radwaste repository projects and their milestonesFirst feedback of the tools used up to now by AndraConsequences for development requests

The GNR MoMaSGoalsResultsQuestions

ProposalsScientific themesExpected results

23 novembre 2009C.TR.AEAP.09.00912


Numerical Simulation at Andra



Simulation for the repositories (1/2)


Numerical Simulation: an adequate tool for

Ap

plicati

on

Fie

lds

Phenomenological evolution modelling

(PARS)

Design & Conception

Performance/Safety Analysis

the dimensioning and interpretation of experiments,

in particular at the Underground Laboratory

Centre Meuse/Haute Marne / projet HA-MAVLHigh-Level and intermediate-level long-lived radwaste

Deep geological reversible repository

Cen

ters

/Pro

jects

5

Recherches sur le stockage gRecherches sur le stockage gééologiqueologique

• Connaissance des déchets et des matériaux

• Connaissance du milieu géologique

• Définition des architectures de stockage

• Développement d’outils de modélisation et de simulation

L’ensemble débouche sur une évaluation de sûreté

• Etudier la possibilité de construire, exploiter, gérer de manière réversible un stockage, en assurant la protection des personnes et de l’environnement.

• 2 milieux étudiés : argile et le granite

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, CSTFAcentre Manche

the modelling of elementary

mechanisms at the various scales

4


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, ..



The main milestones of Andra until 2014 (1/2)


2009 2010 2011 2012 2013 2014

HAVL

FAVL ?

Centre Aube

Choose of design options DACAPS Selectionof the site

Centre Manche

APSS / Phenomenologiy phenomenological simulations

Preliminary calculations

Safety evaluation

Calculations / Simulations / Feasability studiesPreliminary calculations

Safety evaluation

Selection of the site DAC

Program will be defined after the evaluationCalculations

Safety report

Preliminary calculations/ Safety evaluationHydraulic model review and

characterization

Safety report

Tools stabilized version for the years 2012-2014

6


The main milestones of Andra until 2014 (2/2)

Strong time schedule for all Andra’s ProjectsSo, 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 assessmentsAndra 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



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 transfer2 phase-flow with production and migration of gasChemical transferSensitivity 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

8


Flow and solute transfer through the repository structures (whole repository design) and the COX (Porflow)

Sensitivity and uncertainty analysisUse of metamodel built by neural network method (cf. presentation of G. Pépin and J. M. Martinez)



X

Y

0 1000 2000 3000 4000 5000 60000

1000

2000

3000

4000

5000

6000

P

320315310305300295290285280275270265260255250245240

Champ de concentration en I129 à 90.000 ansChamp de charge hydraulique

Maillage représentant toutes les zones et tous les composants du stockage: environ 10 millions de mailles

9


Two-phase flow and gaz transfer through the repository (Tough2_MP)



ILLW disposal zone

Access zone

Gas

pre

ssur

e (B

ars)

HLW disposal 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



Carbonatation and dissolution of the portlandite of the package and work concretes (Tough-React)

Cf. presentation of B. Cochepin

23 novembre 200911 C.TR.AEAP.09.0091

Argilites

Matériau cimentaire(revêtement/conteneur)

Air (O2, CO2…)

Conteneur primaire

Déchets

Argilites partiellement désaturées

Limite de la carbonatation atmos-phérique des matériaux cimentaires

O2

Limite de désaturation, limite de l’oxydation partielle de la pyrite et de la MO

Eau quasi-pureissue des argiles

Limite de la dégradation des matériaux

cimentaires

Limite de la corrosion du fût primaire

Eau cimentaire saine

Dégradationdes déchets

CO2CO2

Corrosion à l’état passif des armatures des colis de stockage

X(m)

Po

rtla

nd

ite(f

ract

ion

volu

miq

ue

)

Ca

lcite

(fra

ctio

nvo

lum

iqu

e)

1 1.5 2 2.5 3 3.5 4 4.5 5 5.5 60.05

0.055

0.06

0.065

0.07

0.6

0.605

0.61

0.615

0.62

0.625

0.63

0.635

0.64

0.645

0.65BEREMCOL BECOL ARF

Frame 001 15 Jan 2009

Portlandite à t=0

Portlandite à t=1500 ans

Calcite à t=0

Calcite à t=1500 ans

Portlandite à t=100 ans

épaisseur de dissolution de la portlandite du colis de

stockage : quelques cm en 100 ans.

S. Gaboreau, F. Claret (2009) – BRGM/RP-57194-FR


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



The GNR MoMaS



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 communication between applied mathematics and other scientific fields organized such as GNR (or similar)

Develop new ideas about phenomena and tools to keep on increasing the level of understanding

Develop research level work linked 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



Results (1/3)

Gather the competences The GNR involves many research laboratories.

It proposes benchmarks to international scientific community

Develop new ideas and research-level workMany 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 fieldsUseful and necessary cooperation between scientific fields

Previous discussions/exchange with other GNR (FORPRO et PARIS) but some difficulties to set up common projects



Results (2/3)

Highlight research work on practical applicationsAndra’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-valueReactive Transport

Significant progress (Benchmarks, PhDs at INRIA and IMFS, etc.) especially on the different coupling methods and their application fieldNeed to take into account much more complex chemical processes: kinetics, flow and transport input data retroaction, number of species, …



Results (3/3)

AND HOWEVER…

The added-value from GNR MoMaS Research

work could be of more benefit for ANDRA…



Questions

Some difficultiesGap 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



Some proposals



Scientific themes (1/2)

Themes in relation with the physical processesTwo-phase flows and radionuclide transfer

Few available tools, but involved physics is enriching continuouslyExample : the wide range of “EOS” modules for “Tough” code family

Progress is still needed in terms of robustness and performance

Reactive TransportCoupling algorithms often face convergence trouble when modelling complexity increasesIt is needed to diversify numerical approaches to deal efficiently with the various configurationsBut... computation time rapidly increases and becomes prohibitive

An open investigation field: multi-scale modellingAn advanced theme, upstream from the operational tools, strongly linked with other disciplines and the experimental fieldBuilding models at the various scales considered, based upon the elementary mechanisms

Approximations when up-scaling must be quantified



Scientific themes (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 usedFurther needs target:

Error control, High Performance Computation (HPC)Time discretization controlMesh control



Expected Results (1/2)

Kinds of worksDo 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 developmentExample: 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 toolsStrengthen the confidence in the simulation results



Expected Results (2/2)

Implication of AndraImprove 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 toolsDefinition of comparative benchmarksEnsure 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


from research to operational tools: elements of strategy to valorize the results of gnr momas

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