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An overview of the Los Alamos suite of atomic physics codes

An overview of the Los Alamos suite of atomic physics codes. H.L.Zhang, C.J.Fontes, J.Abdallah Jr.,J.Colgan, D.P.Kilcrease, N.H.Magee ,M.Sherrill Los Alamos Nat. Lab (LAUR-06-4567) High Precision Atomic Physics for Astronomy Workshop

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An overview of the Los Alamos suite of atomic physics codes

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  1. An overview of the Los Alamos suite of atomic physics codes H.L.Zhang, C.J.Fontes, J.Abdallah Jr.,J.Colgan, D.P.Kilcrease, N.H.Magee ,M.Sherrill Los Alamos Nat. Lab (LAUR-06-4567) High Precision Atomic Physics for Astronomy Workshop (ITAMP, Cambridge, MA, Aug. 7 – 9, 2006)

  2. Abstract The Los Alamos suite of atomic physics codes for generating atomic structure data, and for generating radiative and collisional data, as well as autoionization rates, using the semi-relativistic and fully relativistic distorted-wave methods, is described. The data is used in the new opacity code, ATOMIC, for opacity calculation and non-LTE kinetic modeling. Some examples of modeling results will be given.

  3. Atomic Structure Codes • CATS: Cowan’s semi-relativistic atomic structure code • RATS: Relativistic atomic structure code based on the DFS code • CATS and RATS calculate • Energy levels and configuration average energies • Oscillator strengths and generalized oscillator strengths • Plane-Wave-Born excitation collision strengths

  4. Ionization and Excitation Codes • GIPPER: semi-relativistic and fully relativistic • Photo-ionization cross sections • Electron impact ionization cross sections • Auto-ionization rates • ACE: Electron impact excitation cross sections or collision strengths

  5. Processing and Modeling codes • TAPS: • displaying data • writing data for plotting • calculating rates • FINE: original plasma modeling code (LTE and non-LTE) • ATOMIC: new opacity and plasma kinetic modeling code, based on FINE.

  6. Another Theoretical Opacity Modeling Integrated Code Atomic Physics Codes Atomic Models ATOMIC LTE or NLTE fine structure CATS:Cowan Code CFG-based low or high-Z RATS:relativistic UTA’s spectral modeling GIPPER:ionization energy levels emission gf-values ACE:e- excitation absorption e- excitation e- ionization power loss http://aphysics2.lanl.gov/tempweb/ hυ-ionization Opacity Tables auto-ionization

  7. New Opacity Code ATOMIC • Replacement for the legacy LEDCOP opacity code . • Provide automation, modularity, flexibility, documentation, easy to improve and SQE. • Improve the atomic physics (j-split levels, no data fitting, transitions from higher l). • Improve the EOS calculation(extend to higher density). • Enhance LTE and non-LTE capabilities. • Enhance Low-Z and High-Z capabilities.

  8. Monochromatic Opacity(Oxygen)100 million spectral transitions kT = 10 eV N = 5x1019cm-3

  9. Oxygen Rosseland mean

  10. ATOMIC High-Z NLTE Capability • Parallel Rate Matrix Solver-LAMG • Sparse Rate Matrix Solver • ~106 levels • ~10 ion stages • Full set of cross sections • Relativistic UTA’s

  11. Validation and Verification • Comparison with experiment • Comparison with results by LEDCOP • Tri-lab (LANL, LLNL, AWE) opacity workshops • Non-LTE workshops

  12. ATOMIC VS SNL-Z Br Opacity Experiments

  13. Results by Bailey et Al (JQSRT, 81 (2003) 31

  14. NLTE3 Workshop Code Comparison

  15. NLTE4 Workshop, Las Palmas de Gran Canaria, Spain (Dec., 2005) • Elements: C, Ar, Fe, Sn, Xe and Au • Steady state and time-dependent • Comparing spectra • 48 test cases for gold: • Six Te = 400 – 5000 eV • Four electron densities 3e20 – 1e22 • Tr = 0 and 175 eV • Spectra for 2.8 – 4.4 A

  16. Atomic Data Summary (Te = 870 eV, Tr = 0, Ne = 3.e20 ion ncfg ngf ncs npi nci nai 35 123068 3628314 3628314 909875 909875 101504 36 177225 5487470 5487470 1259108 1259108 1565529 37 226078 7229214 7229214 1548661 1548661 2060883 38 260997 8535173 8535173 1717783 1717783 2403766 39 273068 9089170 9089170 1721738 1721738 2507391 40 260104 8758945 8758945 1563787 1563787 2369403 41 224522 7624067 7624067 1275075 1275075 1970701 42 174067 5928950 5928950 924899 924899 1464457 43 119910 4070378 4070378 579862 579862 953928 44 70357 2361503 2361503 429956 429956 545838

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