HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Simulation of deuterium.

Esitys aiheesta: "HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Simulation of deuterium."— Esityksen transkriptio:

1 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)

2 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

3 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

4 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

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

6 HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Polycrystalline p-W (Plansee)  C impurity concentration ~ 10 19 /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

7 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

8 HELSINGIN YLIOPISTO HELSINGFORS UNIVERSITET UNIVERSITY OF HELSINKI Matsui et al. JNM 283- 287 (2000) 1139 10 keV D  (sc-W) RE: Simulation of defect and D profiles G = Grain boundary R = Dislocation C = Carbon impurity atom

9 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

10 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)

11 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)

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

13 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)

14 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)