HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Simulation of deuterium trapping in tungsten Tommy Ahlgren Kalle Heinola Mathias Groth Jari Likonen 1  5 keV D implantation in W  High flux, low energy D irradiation (JET)

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI 2 DFT (Density Functional Theory) MD (Molecular Dynamics Simulations) KMC (Kinetic Monte Carlo) RE (Rate Equations) Multiscale modeling

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Rate Equations (RE)  Continuum theory  Theory of sink strengths  Transition state theory T. Ahlgren, K. Heinola, K. Vörtler, and J. Keinonen, Journal of Nuclear Materials 427 (2012) 152

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Rate Equations (RE) Events not including hydrogen (H)Events with H

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Hydrogen binding energies in W monovacancy DFT RE Parameters to RE REKMCMD DFT EXP

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Polycrystalline p-W (Plansee)  C impurity concentration ~ /cm 3  O impurity concentration ~ 5x10 18 /cm 3  Cold worked samples (dislocation density 10 8 –10 12 /cm 2 ) 5 keV D implantation in W Sample: Experimental: Room temperature implantation (1800 s) Fluence: 5.8x10 16 D/cm 2 D profiles by SIMS and NRA

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI MD: 5 keV D irradiation induced defects 0.23 Vacancies and SIAs / Implanted D

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Matsui et al. JNM (2000) keV D  (sc-W) RE: Simulation of defect and D profiles G = Grain boundary R = Dislocation C = Carbon impurity atom

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI  D binding energy to dislocations and grain boundaries (MD  DFT)  D binding energy to C and O impurities (DFT) RE: Simulation of defect and D profiles

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI 1) D flux from sample to plasma 2) Total D retention in sample Polycrystalline W Sample: Experimental: ~6 s JET pulse with ELMs RE Simulation: High flux, low energy D irradiation (JET fusion experiment)

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Inter ELM ~ 18 eV ELM ~ 100 eV High flux, low energy D irradiation (JET fusion experiment)

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI High flux, low energy D irradiation (JET fusion experiment)

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI 1) D flux from sample back to plasma 2) Total D retention in sample High flux, low energy D irradiation (JET fusion experiment)

HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI 1) D flux from sample back to plasma 2) Total D retention in sample High flux, low energy D irradiation (JET fusion experiment)