NIST Atomic Data Program: Update and Prospects

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1 NIST Atomic Data Program: Update and Prospects Yuri Ralchenko National Institute of Standards and Technology Gaithersburg, MD 20899, USA DCN Meeting, IAEA, Vienna, 2013

2 Plan Staff Atomic Spectra Database New version and contents New ionization energies database Bibliographic Databases Compilations, modeling and measurements Interactions with other data centers Conclusions

3 The Atomic Spectroscopy Data Center Joseph Reader Yuri Ralchenko Alexander Kramida Craig Sansonetti Larissa Podobedova Gillian Nave 2011 Edward Saloman Jean Sansonetti John Curry Jeffrey Fuhr Wolfgang Wiese Rodrigo Ibacache

4 The Atomic Spectroscopy Data Center Joseph Reader Yuri Ralchenko Alexander Kramida Gillian Nave Craig Sansonetti 2013 Rodrigo Ibacache

5 NIST Atomic Spectra Database v (November 2011) Transition probabilities added/updated for S I-XV. Energy levels updated for Tc I, Ru II, Rh II, Ag I, Cd I, In I, Sn I, Sb I-II, Te I-II, I I. Spectral line lists updated for Tc I-II, Ru I-II, Rh I-II, Pd I-II, Ag I, Cd I, In I, Sn I, Sb I-II, Te I-II, I I-II, Cs II. Corrections made to line identifications and/or transition probability references for B III and Si I.

6 NIST Atomic Spectra Database (cont d) v (November 2011) Web interface of ASD is improved. Handling of the Spectrum field in Levels and Lines Search Forms is revised to conform to the standard used in the NIST Atomic Spectra Bibliographic Databases, which allows for searching of multiple spectra by isoelectronic sequence names, as well as by names of spectra and by ionic charge. Layout of the lines output is changed to approximate layouts used in atomic spectroscopy literature. Help pages contents are revised. Energy levels and spectral lines with transition probabilities added/updated for Ne IV, Ti I-II, Sr II- XXXVIII, Cs III-LV, Ba III-LVI. Energy levels corrected or added for O VI, Pm II, Tb II, Dy I-II, Ho I, Tm II, Lu I, Hf I, Ta II, Au I-II, Hg III- IV, Tl II-IV, Pb I-V, Bi I-II, Bi VI, Po I. Energy level classifications added for prominent lines of Ge I-II, Ru II, Pd II, Nd I-II, Pm I-II, Sm I-II, Eu I- II, Gd I-II, Tb I-II, Dy I-II, Ho I-II, Er I-II, Tm I-II, Yb I-II, Lu I-II, Hf I-II, Ta I-II, Ir I-II, Au I-II, Tl I-II, Pb I-II, Bi I- II, Po I, At I, Rn I, Ra I-II. Transition probabilities added or updated for Tc I-II, Ru I-II, Pd I-II, In I, Sb I-II, I I, Nd I-II, Sm I-II, Eu I-II, Gd I, Tb II, Dy I-II, Ho I-II, Er I-II, Tm I-II, Yb I-II, Lu I-II, Hf I-II, Tl II, Pb I-II, Bi I-II. Missing observed intensities of 17 lines have been inserted from NIST Monograph 68 for Xe I. Several duplicate transitions deleted in the line lists for Na VII, Si I, Ar II, K I, Fe I, Sr I, Te I-II. A number of misprints corrected. Default unit for output wavelengths changed from Ångström to nm.

7 NIST Atomic Spectra Database v (September 2013) Major updates: Fe II: ~14,000 lines, TP for 6700 lines Mn II: ~4000 lines, TP for 844 lines In II: ~900 lines, TP for 528 lines Ag II: 455 lines, TP for 237 lines Significant number of corrections New graphical visualization of ASD contents

8 NIST ASD content v.5.1: 107,000 levels 215,000 lines

9 Detailed content of ASD 5.1 Fe Mo Xe Cs Ba W Z Levels Lines Ion charge

10 ASD Access Distributions Requests per element Requests per wavelength

11 New Ionization Energies Database energies of all ions for all elements up to Ds (Z=110) About 4900 of those ionization energies are new, and about 400 have been updated Uncertainties have been added or revised for all ionization energies

12 Bibliographic databases Principal developer: A. Kramida Updated regularly (~2 weeks) Atomic Energy Levels and Spectra 18,472 references, Atomic Transition Probabilities 8,748 references, Atomic Lines Broadening and Shifts Search options Elements/ions Isoelectronic sequence Word/patterm Publication years Publication source Method type Keywords General category Specific subjects of interest 6,768 references, Annually submitted to IAEA

13 W papers:

14 Data Compilations: F V-VIII & Ne VI-IX (Reader et al, 2013, to be published) λ, A Th I-III (Redman et al, 2013, to be published) E, λ Ag II (Kramida, 2013) E, λ, A Mn II (Kramida & Sansonetti, 2013) E, λ, A In II (Kramida, 2013) Th I & U I (DeGraffenreid et al, 2012) E, λ Sr II-XXXVIII (Sansonetti, 2012) E, λ, A Cr I-II (Saloman, 2012) E, λ Ti I-II (Saloman, 2012) E, λ Ne IV (Kramida et al, 2012) E, λ E, λ, A Cr II (Sansonetti et al, 2012) E, λ

15 Online Collisional-Radiative Modeling: FLYCHK FLYCHK CR code developed at LLNL Time-dependent, non-maxwellian, opacity effect, radiation field, >600 users from all over the world

16 Theory and Modeling Charlotte Froese Fischer New GRASP2K B-like ions W XXXVIII Be I Yuri Ralchenko CR modeling of EBIT plasmas NLTE Workshops NLTE-7, Vienna, 2011 Non-statistical CR model for motional Stark effect (w/ O. Marchuk, FZJ)

17 Interaction with other Data Centers IAEA AMDU CRP on light elements (J.Reader) CRP on tungsten (Yu.Ralchenko) Code Centre Network (Yu.Ralchenko) IAEA-NFRI TM on data evaluation (A.Kramida) ICTP-IAEA Workshop on AMD for fusion plasma modeling (Yu.Ralchenko) 7 th NLTE Code Comparison Workshop (Yu.Ralchenko) VAMDC External partner with SUP@VAMDC XSAMS meeting at NIST (2011) IAPCM, China J.Yan s visit in 2013 NIFS FZJ Toki Conference (2012, Yu.Ralchenko) MSE modeling (Yu.Ralchenko)

18 Spectra measurements D-lines in highly-charged Na ions (Gillaspy et al, 2013) Xe, Ba, Sm, Gd, Dy, Er, W, Pt, Bi EUV spectra of Xe XXVII- XLII (Osin et al, 2012) M1 lines from highlycharged Ta, Hf, and Au (Osin et al, 2012) Rb-like-Cu-like Gd spectra (Kilbane et al, 2012) Most accurate test of QED in Na-like ions

19 EUV spectrum of W 47+ -W 56+ : M1 lines within 3d n ground configurations Almost all lines are M1 Good statistics Isolated lines Pair of lines: (a) within 3d in K-like W 55+ (b) within 3d 2 in Ca-like W 54+ Yu. Ralchenko et al, Phys. Rev. A 83, (2011)

20 [Ca]/[K] W 54+ 3d 2 J=2 3d 2 J=3 W 55+ 3d 3/2 3d 5/2 LMN dielectronic resonances in W 54+

21 One EBIT run, several ions

22 IPs per user category industry 3% gov 1.0% astro 1.2% mil 0.2% unknown 19% academic 37% ISP 39%

23 IPs percentage per country Poland, 2% Brazil, 2% US, 34% Russia, 2% Netherlands, 2% Canada, 2% China, 2% Spain, 3% Italy, 3% UK, 4% Germany,13% France, 4% Japan, 8%

24 User requests per chemical element H He C N O Ne Al Ar Ca Ti Fe Cu Kr Mo Xe W Hg Academic Z Ar C N O Fe Industry 500 H He Ne Al Si Ca Ti Cu Kr Mo Xe W Hg Xe Z Ar C N O Fe He Ne Kr Al Cu Hg W Mo Gov Z U

25 User requests per chemical element 1000 Fe Astro 500 H He C N O Na-Si Ca Ti Ni Hg Z 1000 N O Mil 500 H He Na Si Ar Fe Cu Kr Rb Xe Hg Z Modeled distribution of IP addresses per category: ISPs: 60% (academic + industry) + 32% military + 8% astro Unresolved IPs: 87% (academic + industry) + 13% military + 0.4% astro

26 IPs per user category astro, 6% military, 10% gov, 1% industry, 7% academic, 76%

27 Requests per wavelength Total requests 10x Requests w/no data λ, nm Requests per wavelength per user category Academic Industry Gov Mil Astro λ, nm

28 User companies per application environment, 3% lighting, 3% automotive, 3% lasers, 4% bio, 3% nuclear, 2% food, 2% optics, 1% plasma tech, 1% energy, 13% instruments, 12% chemical, 6% electronics, 7% health, 10% defense, 7% materials, 9% aerospace, 7% semicond, 8%

29 Conclusions NIST Atomic Data Center continues collection, evaluation, and dissemination of accurate atomic spectrosopic data relevant to fusion however, after 35 years of continuous funding, DOE has completely stopped all support of the NIST Atomic Data Center

NIST Research on Spectroscopy and Collisional-Radiative Modeling of Highly-Charged Ions of Tungsten

NIST Research on Spectroscopy and Collisional-Radiative Modeling of Highly-Charged Ions of Tungsten Yuri Ralchenko National Institute of Standards and Technology Gaithersburg, USA Vienna, Austria, Dec