Forschungszentrum Juelich Germany

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Forschungzentrum Juelich
D. Reiter,
HYDKIN is a computational tool containing molecular databases compiled over recent years, specifically for the hydrogen atom, and ethane, methane and propane molecules. There is access to the cross sections, and Maxwellian-averaged reaction rates can be calculated on-line. A master rate equation can be constructed and solved and an analysis of the time scales carried out, which is beneficial to modelling codes for reducing the number of species required in simulations. The databases are presently being extended towards tungsten. (Add link)

HYDKIN: towards online hydrogen and hydride kinetics to publicly expose A+M data in particular edge modeling applications[1]

The FZ Juelich plasma codes activities are mainly focused on the outer layers (“edge plasma”) of magnetically confined fusion plasmas. The suite of codes ranges from dedicated local erosion-redeposition transport codes (ERO) or drift fluid turbulence codes (ATTEMPT), up to “integrated” edge codes such as B2-EIRENE (operated and maintained jointly with ITER-IO, Cadarache), EMC3-EIRENE (jointly with IPP Greifswald, mainly for stellarators, LHD, W7X), OSM-EIRENE (with ITER) and EDGE2D-EIRENE (at JET).

The atomic, molecular and surface data are integrated into these models mostly via the kinetic Monte Carlo code module EIRENE. Most of the integrated edge modeling activities at FZ Juelich are under ITER contracts: EIRENE stand alone (first wall fluxes, diagnostic mirrors), EMC3-EIRENE (3D rmp effects), B2-EIRENE (2D code benchmarks internally within SOLPS family). With respect to numerical data EIRENE resorts to a combination of:

  1. external databases for which interfaces to EIRENE exist. Some of these are homemade and web-based (HYDKIN, AMJUEL), others are obtained from database centers (ALADDIN, ADAS);
  2. internal (default) atomic data;
  3. ollisional radiative codes integrated into the EIRENE source.

The web based database and toolbox HYDKIN ( serves to publicly expose the A&M data used by EIRENE obtained from earlier IAEA CRP’s, as “non LTE collisional radiative” code as well as for sensitivity analysis using analytic solutions of linearized equations for sensitivity parameters.

With respect to surface data EIRENE resorts to a kinetic reflection database (under, based on TRIM code calculations. Distinct from other surface databases the EIRENE database format choice was driven by the need to preserve full information regarding all angular dependencies as well as energy spectra, as needed by kinetic plasma models (e.g. Monte Carlo), rather than only averaged quantities. This is achieved by storing the multidimensional data in form of conditional quantiles (loc. cit.).


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