D. Tskhakaya ADAC meeting, Cadarache /16 Molecular Data in Tokamak edge Modelling D. Tskhakaya Association EURATOM-ÖAW, University of Innsbruck, A-6020 Innsbruck, Austria Andronikashvili Institute of Physics, 0177 Tbilisi, Georgia

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources Processes involving molecules Requirements to the molecular data Needs for kinetic modeling of the plasma edge Conclusions Outline

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources in the SOL JET Plasma-facing components (PFC): chamber walls, divertor plates, RF antennas, …

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources in the SOL „Conventional“ tokamaks AUG, DEMO (?) JET, ITER Tokamaks with liquid walls C (CFC), Fe, … W Be W Li Gas puffing (e.g. D 2 )

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources in the SOL Plasma recycling Wall D+D+ A Wall Surface C, W : A= D 2 (>90%) Be: ? Li: R~0 For DT operation A= D 2, DT, T 2 At low energies isotope effects might be important! H H 2  H H D 3 +, T 3 +, TD 2 +, DT 2 +

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources in the SOL Impurity sputtering Wall BA Wall Surface C (chemical sputtering) : B= D m A= C n D k W: ? Be [Björkas PSI 2012] : B= D A= BeD (<60%) A= BeD 2 (<40%) For DT operation A= BeD, BeT, BeD 2, BeT 2

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular sources in the SOL Impurity seeding, etching N 2, O 2, NO 2 Molecules to be taken into the account in fusion plasma edge modeling D 2, DT, T 2, BeD, BeT, BeD 2, BeT 2 N 2, O 2, NO 2 CnDmTkCnDmTk D 3 +, T 3 +, TD 2 +, DT 2 +

D. Tskhakaya ADAC meeting, Cadarache /16 Processes in the plasma edge involving molecules e + M  e + MElastic e + M  e + M*Excitation (electronic, vibrational, rotational) e + M  2e + M + Ionization e + M  e + A + BDissociation e + M  e + A + + BDissociative ionization e + M +  A + B Dissociative recombination e + M  A - + BDissociative attachment A + M  A + MElastic A + M  A + M*Excitation A + + M  A + M + Charge exchange A + M +  A + + M Charge exchange A + M  A + B + GDissociation A - + M  A + M + e Electron detachment with molecule M - molecule (in some excitation/ionization state) A – molecule, ot atom (in some excitation/ionization state)

D. Tskhakaya ADAC meeting, Cadarache /16 Requirements to the data Fluid, or fluid/kinetic models (e.g. B2-SOLPS, ERO, EIRENE, …) M A Maxwell-distributed particle pool B Rate coefficients (averaged over initial/final excitation-states) are required Data source: ADAS, …

D. Tskhakaya ADAC meeting, Cadarache /16 a b c d a b c d e a b Full kinetic models (PIC/MC) Requirements to the data Differential cross-sections for H + +H 2 elastic collision implemented in BIT1 code Data source: any available

D. Tskhakaya ADAC meeting, Cadarache /16 Electron/ion VDFs in the SOL [Tskhakaya CPP 2012] Rate coefficients vs differential CS OMP 10 cm SE The VDFs are strongly(!) non-Maxwellian during the ELMs

D. Tskhakaya ADAC meeting, Cadarache /16 Density profiles from the divertor plasma simulation. Serial PIC/MC code with ~100 of different A&M processes. Full kinetic models Massively parallel codes (such as BIT-N) are able to simulate few of different particle species (including metastables) with thousands of A&M processes.

D. Tskhakaya ADAC meeting, Cadarache /16 For (kinetic) modelers collection of the appropriate A&M&S data is the most complicated task! Cross-sections for H H 2 charge-exchange collision from different sources.

D. Tskhakaya ADAC meeting, Cadarache /16 Power loads to the outer divertor during 0.15 MJ type-I ELM at JET # a) Constant recycling coefficient R D = 0.99; b) Energy-dependant recycling coefficient R D (E). a) b) Sensitivity of simulation results to the A&M data

D. Tskhakaya ADAC meeting, Cadarache /16 EFDA Task Force ITM Task AMNS Collection and verification of the Molecular data Implementation into the corresponding AMNS data structure in a standardized way Support of different codes in implementation of corresponding routines for accessing AMNS data Status: data structure is ready for implementation of molecular rate coefficients and differential CS of practically any complexity. There is a possibility to update the data structure for metastables.

D. Tskhakaya ADAC meeting, Cadarache /16 Molecular processes represent important part of predictive plasma edge modeling While data for rate coefficients are available, the corresponding differential CS are hard to find There is no systematic approach to metastables. How to include them into the plasma edge models? Conclusions Independently of the complexity and format of the provided validated molecular data, it will be used by us (i.e. modelers)!

D. Tskhakaya ADAC meeting, Cadarache /16 Filaments of small and large ELMs at MAST (UK) ms ms ELMs simulations

D. Tskhakaya ADAC meeting, Cadarache /16 D. Tskhakaya PWI TF, JET Culham, July 2011 Differential cross-sections e + H = 2e + H + Angular differential cross sections