NIST Spectroscopic Research on Heavy Elements 2005 - 2009

1. NIST Spectroscopic Research on Heavy Elements 2005 - 2009 Wolfgang L Wiese National Institute of Standards and Technology (NIST), USA

2. General Objective: Determine experimentally and theoretically the atomic structure of heavy element atoms and ions of importance for magnetic fusion energy research Main approaches: • Measurements of heavy element spectra with vacuum sparks, lasers and the Electron Beam Ion Trap (EBIT). (This device reaches now charge state 68+.) • Supporting analysis with pertinent plasma codes. • Comprehensive critical compilations of atomic energy levels, wavelengths and transition probabilities os selected heavy elements • Atomic structure calculations with sophisticated Hartree-Fock and Dirac-Fock programs • Calculations of ionisation and excitation cross sections with the Binary Encounter Bethe (BEB) model and derivatives • Analysis of the neutral chlorine spectrum with a wall-stabilized arc

3. Participants Experimental Research: J. Reader, G. Nave, J. Gillaspy, M. Bridges,* W. Wiese* Theoretical Approaches: Ch. Froese-Fischer,* Y. Ralchenko,* Y.-K. Kim , P. Stone* Data Assessment and J. Reader, E. Saloman,* Compilations: J. Fuhr,* D. Kelleher,* L. Podobedova,* A. Kramida,* W. Wiese* Database Development: Y. Ralchenko,* A. Kramida* R. Ibacache *indicates Contractors or Guest Researchers

4. General Objective: Determine experimentally and theoretically the atomic structure of heavy element atoms and ions of importance for magnetic fusion energy research Main approaches: • Measurements of heavy element spectra with vacuum sparks, lasers and the Electron Beam Ion Trap (EBIT). (This device reaches now charge state 68+.) • Supporting analysis with pertinent plasma codes. • Comprehensive critical compilations of atomic energy levels, wavelengths and transition probabilities os selected heavy elements • Atomic structure calculations with sophisticated Hartree-Fock and Dirac-Fock programs • Calculations of ionisation and excitation cross sections with the Binary Encounter Bethe (BEB) model and derivatives • Analysis of the neutral chlorine spectrum with a wall-stabilized arc

5. The NIST Electron Beam Ion Trap (EBIT) The EBIT not only creates a highly charged ions, but can hold their center of mass at rest. This overcomes the primary limitation of large HCI facilities for precision spectroscopy. EBIT size ~ 1 m To first order, the relative Doppler shift is Dl/l =v/c

6. 107 K plasma EBIT Internal View EBIT on a table top Ion production, trapping, and excitation http://physics.nist.gov/ebit

7. A simplified EBIT: Intense Electron Beam (4,000 A/cm2) Strong magnetic field (3 tesla) Highly Charged Ions (up to Bi72+at NIST). 2 cm Ultrahigh vacuum (~10-10 torr) Creates (by electron impact ionization) Traps (by electric and magnetic fields) Excites (electron impact) Ion cloud width ~ 150 mm

8. Quantum Microcalorimeter • operates at 65 mK • absorber: a foil of • superconducting tin • thermistor: neutron • transmutation-doped • (NTD)germanium

9. “Crystal-quality” resolution, wide bandwidth and 100% efficiency. Ar L-shell K-shell

11. Spectra and wavenumbers, as a function of element (Z)

12. Spectra as a function of electron beam energy (Only a small subset shown. We have done this for several elements, extending as high as 24 keV for some)

13. Tungsten Data Tables from Recent Publications of the NIST EBIT Team Includes new lines, and corrects misidentification from other groups.

14. Preliminary tables for >100 new lines presented at HCI and DAMOP conferences in 2006-2008

15. General Objective: Determine experimentally and theoretically the atomic structure of heavy element atoms and ions of importance for magnetic fusion energy research Main approaches: • Measurements of heavy element spectra with vacuum sparks, lasers and the Electron Beam Ion Trap (EBIT). (This device reaches now charge state 68+.) • Supporting analysis with pertinent plasma codes. • Comprehensive critical compilations of atomic energy levels, wavelengths and transition probabilities os selected heavy elements • Atomic structure calculations with sophisticated Hartree-Fock and Dirac-Fock programs • Calculations of ionisation and excitation cross sections with the Binary Encounter Bethe (BEB) model and derivatives • Analysis of the neutral chlorine spectrum with a wall-stabilized arc

17. Electron-Impact Cross Section Database(http://physics.nist.gov/ionxsec)M. A. Ali, K. K. Irikura, Y.-K. Kim, P. M. Stone Already in the database: 1. Total ionization cross sections of neutral atoms and molecules, singly charged molecular ions (about 100) 2. Differential ionization cross sections of H, He, H2 3. Excitation cross sections of light atoms Recent Results: 4. Total ionization cross sections (direct + excitation-autoionization) of Mo, Mo+, W, W+ (joint work with KAERI, see graphs)—BEB model plus BE/E scaling of Born cross sections [Mo/Mo+ in Kwon, Rhee & Kim, Int. J. Mass Spectrometry, 245, 26 (2005)] 5. Excitation cross sections of H2 (see graphs)—BE scaling of Born cross sections 6. Ionization cross sections of Si, Ge, Sn, Pb, Cl, Br, I, Cl2, Br2, I2

18. Ionisation cross sections from the 3p54s levels

19. Ionisation cross sections from the 2p53s levels

20. Ar I Excitation cross section from the metastable level 3p54s to 3p55p

21. General Objective: Determine experimentally and theoretically the atomic structure of heavy element atoms and ions of importance for magnetic fusion energy research Main approaches: • Measurements of heavy element spectra with vacuum sparks, lasers and the Electron Beam Ion Trap (EBIT). (This device reaches now charge state 68+.) • Supporting analysis with pertinent plasma codes. • Comprehensive critical compilations of atomic energy levels, wavelengths and transition probabilities os selected heavy elements • Atomic structure calculations with sophisticated Hartree-Fock and Dirac-Fock programs • Calculations of ionisation and excitation cross sections with the Binary Encounter Bethe (BEB) model and derivatives • Analysis of the neutral chlorine spectrum with a wall-stabilized arc

22. Wall-Stabilized Arc

23. Wall-Stabilized Arc

24. Argon Mini Arc

25. Maxi Arc

26. Spectral Emission Analysis to determine Transition Probabilities (A) • Arc Plasma operates at atmospheric pressure, electron density is about 1017 cm-3 • Local Thermodynamic Equillbrium (LTE) applies • Line intensities I are measured to determine relative transition probabilities Ar initiating in atomic states m I~(gm/λ) Ar exp(-Em/kT) • Normalization to absolute A by one (or more) radiative lifetimes τ τm = and τm when there is one dominant transition

27. Bengtson et al (shock tube) vs NIST ±34%

28. Oliver a. Hibbert (CIV 3 Calc.) vs NIST ± 15%

29. Fischer (MCHF calc.) vs NIST ± 15%

30. An Example: A-values for the 4s 2P -4p 2S doublet of Cl I Experiments C a l c u l a t i o n s d (l-v) is the relative difference between the dipole-length and velocity results

33. Summary of principal NIST contributions to the IAEA CRP on Heavy Elements Investigations of spectra of heavy elements: Cl I, Ar I, Fe IV, Kr I, Xe VII to Xe XLIV, W XL to W XLVIII, W LV to W LXIV Calculations of cross sections: Ar I(ionization, BEB), Ar I(excitation, plane wave Born) Compilations of Reference Data: Energy Levels, Wavelengths: Kr I to Kr XXXVI, W I to WLXXIV(510 pages!) Ionization Energies: WIII to W LXXII Transition Probabilities: Al I to Al XIII, Si I to Si XIV, Fe I and Fe II