Simulation of deuterium trapping in tungsten
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Transcript of Simulation of deuterium trapping in tungsten
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Simulation of deuterium trapping in tungsten Tommy Ahlgren
Kalle Heinola
Mathias Groth
Jari Likonen
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5 keV D implantation in W
High flux, low energy D irradiation (JET)
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
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DFT (Density Functional Theory)
MD (Molecular Dynamics Simulations)
KMC (Kinetic Monte Carlo)
RE (Rate Equations)
Multiscale modeling
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY 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 YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Rate Equations (RE)
Events not including hydrogen (H) Events with H
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Hydrogen binding energies in Wmonovacancy
DFT
RE
Parameters to RE
RE KMCMD
DFT
EXP
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Polycrystalline p-W (Plansee) C impurity concentration ~ 1019 /cm3
O impurity concentration ~ 5x1018 /cm3
Cold worked samples
(dislocation density 108–1012/cm2)
5 keV D implantation in W
Sample:
Experimental: Room temperature implantation (1800 s)
Fluence: 5.8x1016 D/cm2
D profiles by SIMS and NRA
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
MD: 5 keV D irradiation induced defects
0.23 Vacancies and SIAs / Implanted D
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Matsui et al. JNM 283-287 (2000) 113910 keV D (sc-W)
RE: Simulation of defect and D profiles
G = Grain boundaryR = DislocationC = Carbon impurity atom
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY 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 YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
1) D flux from sample to plasma2) Total D retention in sample
Polycrystalline WSample:
Experimental: ~6 s JET pulse with ELMs
RE Simulation:
High flux, low energy D irradiation(JET fusion experiment)
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
Inter ELM ~ 18 eV ELM ~ 100 eV
High flux, low energy D irradiation(JET fusion experiment)
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
High flux, low energy D irradiation(JET fusion experiment)
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
1) D flux from sample back to plasma2) Total D retention in sample
High flux, low energy D irradiation(JET fusion experiment)
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
HELSINGIN YLIOPISTOHELSINGFORS UNIVERSITETUNIVERSITY OF HELSINKI
1) D flux from sample back to plasma2) Total D retention in sample
High flux, low energy D irradiation(JET fusion experiment)