U N C L A S S I F I E D U N C L A S S I F I E D 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)
U N C L A S S I F I E D 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.
Dec 21, 2015
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U N C L A S S I F I E D
U N C L A S S I F I E D
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)
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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.
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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
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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
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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.
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CATS:Cowan Code
RATS:relativistic
GIPPER:ionization
ACE:e- excitation
Atomic Models
CFG-based
fine structure
ATOMIC
LTE or NLTE
low or high-Z
spectral modeling
power loss
Opacity Tables
Another Theoretical Opacity Modeling Integrated Code
gf-valuese- excitation
e- ionization
hυ-ionization
auto-ionization
energy levelsemission
absorption
http://aphysics2.lanl.gov/tempweb/
Atomic Physics Codes
UTA’s
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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.
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Monochromatic Opacity(Oxygen)100 million spectral transitions
kT = 10 eV
N = 5x1019cm-3
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Oxygen Rosseland meanOxygen Rosseland mean
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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
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Validation and Verification
Comparison with experiment
Comparison with results by LEDCOP
Tri-lab (LANL, LLNL, AWE) opacity workshops
Non-LTE workshops
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ATOMIC VS SNL-Z Br Opacity Experiments
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Results by Bailey et Al (JQSRT, 81 (2003) 31
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NLTE3 Workshop Code Comparison
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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
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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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