Euratom FP6 Topical Information Meeting about research in:

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Spanish Contribution to PERFECT
Prepared and Compiled M. Perlado1, M.J. Caturla2,
D. Gómez-Briceño3
1. Instituto de Fusión Nuclear (DENIM),
Universidad Politécnica de Madrid (UPM), Spain 2.
Departament de Física Aplicada, Universitat
dAlacant (UA), Spain 3. Departamento de Fisión
Nuclear, CIEMAT, Spain
Euratom FP-6 Topical Information Meeting about
research in Prediction of Irradiation Damage
Effects on Reactor Components Brussels, 13 March
2003
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• Instituto de Fusión Nuclear (DENIM),
• Universidad Politécnica de Madrid (UPM), Spain
• Departamento de Fisión Nuclear
• CIEMAT, Spain
• Departament de Física Aplicada,
• Universitat dAlacant (UA), Spain

Premise These groups are actually, and they have
been fully involved along the 5FP and other EU
Programs activities related to Materials in
Nuclear applications such as Fusion and ADS in
all the Areas from Multiscale to Experimental
(Micro and Macroscopic) here proposed with the
integrated philosophy now proposed in PERFECT
Euratom FP-6 Topical Information Meeting about
research in Prediction of Irradiation Damage
Effects on Reactor Components Brussels, 13 March
2003
3
Spanish Contribution to PERFECT

• Other Spanish Groups contributors in these Areas
• Universidad Carlos III Madrid
• Universidad Politécnica de Cataluña
• Universidad Complutense de Madrid
• Universidad Autónoma de Madrid
• Universidad de Sevilla
• Universidad Politecnica de Madrid
• (Departamentos de Química y Materiales)

Euratom FP-6 Topical Information Meeting about
research in Prediction of Irradiation Damage
Effects on Reactor Components Brussels, 13 March
2003
4
Spanish Contribution to PERFECT
Brussels, 13 March 2003
Building a Predictive Multiscale model requires
experimental validation at different
Modeling tools from UPM UA combined with
experiments from CIEMAT
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Spanish Contribution to PERFECT
Brussels, 13 March 2003
A predictive model for RPV Validating the
basics (pure Fe) through Experiments
Proposed simplified and well controlled
irradiation experiments to determine the
influence of impurities, temperature and fluence
on the damage characteristics and associated
Multiscale Simulations.

• Previous CIEMAT results from UHP Fe loops
  larger than observed in pure Fe

New Physics Model in kMC defects evolution
Microstructure of UHP-Fe Irradiated with Fe ions
kMC simulations from UPM UA explaining
differences

• Characterisation of damage will give size
  distribution, density, morphology and character
  of irradiation induced defects, that will be
  directly comparable with results from computer
  simulation

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Spanish Contribution to PERFECT
Brussels, 13 March 2003
A predictive model for RPV Including the effect
of alloying element- Cu, P, Si and
others/ proposed simulations and experiments
1st) Including Cu diffusion and clustering in
well tested KMC Fe model 2nd) same procedure
with effect of other elements.

• TEM examination of neutron irradiated model
  alloys and
• reactor pressure vessel steels

• Use of Dislocation Dynamics Technique to study
  defect - dislocations linked with KMC (new!)
• Processes in Interfaces at Atomic Level

Interaction of Precipitates and Defects with
Dislocations
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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics Modeling RPV Simulation and
Experimental Validation

• SIMULATION Modeling Thermal and Mechanical
  effects
• EXPERIMENTAL Validation of Mechanical Modeling
  using JRQ,JPJ, and JPF steels irradiated in
  Spanish Commercial Plants and Experimental
  Reactors
• Instrumented Charpy V tests
• Fracture toughness tests for measuring of KIC,
  KJC, and crack resistance curves and T0
  determination
• Tensile tests
• Hardness tests
• Punch tests
• EXPERIMENTAL determination of segregation on IG
  fracture. Relevance to Master Curve.

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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals Grain
Boundary Role in IASCC - Basics (1)

• Intergranular cracking on irradiated internal
  components can be promoted by
• Hardening
• RIS Cr, Mo and Mn depletion and Ni, Si and P
  enrichment
• Cr depletion seems to justify the IASCC found in
  oxidising environments, but it is not enough to
  explain IASCC in reducing environments. In
  addition, some intergranular cracking has been
  found on inert gas tests.
• As consequence, radiation hardening seems to be a
  relevant contribution to IASCC.
• However, neither RIS nor hardening alone seem to
  be the controlling factor of IASCC. A combination
  of these effects, or derived effects must be
  taken into account.
• As cracking is always intergranular, grain
  boundary micro-mechanics and micro-chemistry
  should be a key factor to understand IASCC
  mechanism.

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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals Grain
Boundary Role in IASCC - Basics (2)
GRAIN is affected by Irradiation
GB HardeningSegregation
GI Hardening
Free energy is different EGBgt EGI
EGI Grain Inside Energy EGB Grain Boundary
Energy
This is the relevant question Is Total Grain
Boundary Energy (ETotal GB ) the controlling
factor of IASCC?
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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals
Multiscale modeling and Experiments of
irradiation assisted stress corrosion cracking
(IASCC)
Key factor to understand IASCC grain boundary
strength and chemical composition under
irradiation
Non Irradiated High Energy Proton Irradiated
High Energy Proton Irradiated Annealing to
isolate different irradiation effects
These results could be incorporated to computer
modeling
Material Austenitic stainless-steel / model
Fe-Cr-Ni alloys
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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals
Multiscale modeling and experiments of
irradiation assisted stress corrosion cracking
(IASCC)

• Modeling radiation induced segregation (RIS)
• using kinetic Monte Carlo models
• Using phenomenological information on defects
  (experimental observations) and on defect
  diffusion (diffusion coefficients depending on
  concentration obtained from literature in first
  approximation)
• We propose to develop and apply
• Intermediate model between continuum and full
  atomistic,
• Develop a systematic study of the influence of
  the input parameters in the final results.
• Identify those parameters that should be
  calculated with atomistics.
• To select a set of experiments to compare with
  the results of the simulations.

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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals
Multiscale modeling and experiments of
irradiation assisted stress corrosion cracking
(IASCC)

• Simulations
• Interatomic Potential for Fe-Cr-Ni (work on).
  Solving non adequate FeCr potential representing
  austenitic (testing of)
• Atomistic modeling of grain boundary segregation
  due to irradiation in equivalent alloys /
  austenitic steels. Interaction of defects by
  irradiation close to grain boundaries. Different
  types and alloys composition. Information to feed
  previous kMC.
• How defects arrange at grain boundaries ?
• Compute cohesion of different grain boundaries by
  Molecular Dynamics or First Principles as a
  function of alloy composition and the effect of
  impurities

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Spanish Contribution to PERFECT
Brussels, 13 March 2003
Mechanics and Corrosion for Internals Fracture
Toughness of Stainless Steels - Experimental
Approach

• Materials
• Commercial austenitic stainless steels
• Neutron irradiation hardening simulation
• High energy Protons
• Cold/Warm Rolling
• Cold/Warm Tensile strain
• Fracture toughness specimens
• Small CT and SEN(B) specimens
• Foreseen results
• Determination of high quality fracture toughness
  values (J-R) by testing small specimens of
  austenitic stainless steels
• These results could be incorporated to computer
  modeling

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Brussels, 13 March 2003

• SPANISH CONTRIBUTION TO PERFECT - SUMMARY
• Physics Modeling RPV
• Computer Modeling (UPM, UA)
• Defects characterisation in Fe, FeCu/P..
  including impurities, temperature, dose, surface
  effects, and defects interaction with
  dislocations and interfaces. KMC-DD
• Experimental Validation (CIEMAT)
• TEM characterisation of ion and neutron
  irradiated model alloys and RPV steels
• Mechanics Modeling RPV
• Computer Simulation and Experimental Validation
  (CIEMAT)
• EXPERIMENTAL Validation of Mechanical Modeling.
  EXPERIMENTAL determination of segregation on IG
  fracture. Relevance to Master Curve. JRQ, JPJ,
  JPF steels.
• Physic Modeling Internals
• Computer Modeling (UA, UPM)
• Modeling RIS, grain boundary segregation and
  cohesion
• Experimental Validation (CIEMAT)
• AUGER and TEM characterisation of high energy
  proton irradiated model SS
• Mechanics and Corrosion for Internals
• Experimental Approach (CIEMAT)
• Grain Boundary Role in IASCC
• Mechanical and microstructural characterisation
  and IASCC of high energy proton irradiated model
  and commercial SS
• Fracture toughness of Stainless Steels