Atomic and Molecular Data Activities at NIFS in

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1 nd DCN meeting, IAEA, Sep. 4-6, 011 Atomic and Molecular Data Activities at NIFS in Izumi Murakami Atomic and Molecular Processes Section, Fusion Systems Research Division, Department of Helical Plasma Research, N ti l IInstitute tit t for f Fusion F i Science, S i National Oroshi cho 3 6, Toki, Gifu , Japan 1

2 Outline NIFS database Satellite databases Research activities related to AM data NIFS DATA publications Domestic collaborations related to AM data in NIFS Concluding remarks

3 1. NIFS database Retrievable numerical database for collision processes Recent changes Show a list of papers of which data are newly included. Data D update d mainly i l for f AMDIS (e impact excitation & recombination) and MOL (molecular processes) Update tables on species which data are stored in AMDIS EXC, ION AMOL and ION, d CMOL CMOL. ORNL bibliographic data received in 011 were up to 009. No N further f h data. d 3

4 AM and PWI Numerical Database ( DB Name AMDIS Contents EXC Electron impact excitation of atoms ION Electron impact ionization of atoms DIO Electron impact dissociation of simple molecules REC Electron recombination of atoms CHART AMDIS MOL (AMOL) CHART MOL (CMOL) Charge exchange of ion ion-atom atom collision Period Records Aug. 6, , (463,59 ( (Aug. 011)) )) , ,96 Electron collision with molecules Heavy particle collision with molecules (3,765) SPUTY Sputtering yield of solid ,41 BACKS Reflection coefficient of solid surface ,097 (AM Bibliographic database) ORNL Bibliography on atomic collisions collected at ORNL, USA (77,714)4

5 Change of number of data recodes in the database Number of Data in the Database AMDIS CHART MOL SPUTY BACKS ORNL Number of Data as of Aug. 6, 013 AMDIS 671,97 * CHART 7,054 User interface revise of AMDIS REC (007-8) MOL 3,96 * SPUTY 1,41 NO registration (007) BACKS 396 User interface revise of AMDIS EXC (006) ORNL 78,097 * Rate coefficients in AMDIS (003) IAEA GENIE (00) MOL (001) Data Update Working Group (000-) AMDIS Recombination (1998) WWW (1997)

6 Access counts to the database (query counts) query counts AMDIS CHART SPUTY BACKS MOL counts FY1998 FY1999 FY000 FY001 FY00 FY003 FY004 FY005 FY006 FY007 FY008 FY009 FY010 FY011 FY AMDIS Recombination (1999) Data update working group (000 -) MOL (001) GENIE (001) Rate coefficients (003) No registration (007) User interface revise AMDIS EXC (006) User interface revise AMDIS REC (007-8) 6

7 Access count to AMDIS (ION/EXC/REC) Search count for AMDIS GENIE/AMDIS AMDIS GENIE/AMDIS F FY01 FY011 FY010 FY009 FY008 FY007 6 FY006 FY005 FY00 04 FY0 003 FY0 00 FY 001 FY ~7% of queries are via GENIE * Lack of statistical data for FY011 (1 month) and FY01 (7 months) lack of connections? 7

8 Example of data in AMOL (electron collisions) htt //d if j / t / l ht l target Data sets target Data sets target Data sets target Data sets target Data sets H 375 CH4 37 NH3 4 NH3 4 D3O DBr 305 CH 30 GeH4 4 GeH4 4 CH3Cl O 131 NO 8 HDO 3 HDO 3 CHCl4 C3H8 107 c-c C4F8 6 CD 3 CD 3 CH3Cl3 HO 104 SF6 18 CD 3 CD 3 CH4Cl CH4 74 SiH6 13 CD3 3 CD3 3 H 1 CO 7 BCl3 1 H3O H3O H+ 1 CH6 65 CH 11 HS HS H3O+ 1 CO 50 CH3 11 HCl HCl HBr 1 D 45 CH3 10 HI HI BF 1 N 39 CH5 10 D3 D3 BF collision systems (as of Jan. 013)

9 Example of data in CMOL (heavy particle collisions) nifs ac jp/amdata/cmol html Proje ctile targe t Data sets Proje ctile targe t Data sets Proje ctile targe t Data sets H H 805 Ar C3H4 16 C C3H8 9 H H 19 Kr CO 15 C CO 9 He H 63 C CH6 14 H CH6 8 T H 45 H D 13 H H 8 He CH4 31 H CO 1 H He 8 He CO C H 1 Ar (CH)3 8 He O 1 H Kr 11 Ar CH4 8 He CO 0 O N 11 Ar CH 8 H CO 17 H Xe 10 Ar CH4 8 H CH4 16 Ne C3H4 10 Ar CH6 8 H3 H 16 H Ar 9 Ar C3H6 8 C CH4 16 D H 9 A Ar C3H collision systems (as of Jan. 013)

10 Examples p of new data: AMDIS AMDIS REC Fe11+ recombination rate coefficients Experimental data for DR (merged beam) -> fit to analytic form By Novotny et al. al (01) AMDIS EXC Excitation rate coefficients Fe9+ (3s 3p5 P1/ 3s 3p4 (3P) 3d D3/ ) Aggarwal et al. (005) Dirac R-matrix Mewe et al (1980) Pelan et al. (001) Breit-Pauli R-matrix Del Zanna et al. (01) Breit-Pauli distorted wave DR + RR Arnaud &Raymond (199) 10

11 Examples p of new data: CMOL H+ + CH4 H new new 11

12 . Satellite databases Links to web pages of pdf files of IPPJ-AM reports and NIFS-DATA reports Various small databases are linked at the database top page, such h as rate coefficients of electron dissociative attachment to molecular hydrogen. Hayashi s bibliographic database on collision cross sections. 1

13 Hayashi s database of bibliography and cross sections for atoms and molecules Bibliography and cross section data p and evaluation for 677 atoms compilation and molecules for electron impact processes were done by Prof. M. Hayashi. Bibliographic data on publications in 0th century t for f 17 atoms t and d molecules l l were published as NIFS DATA series in NIFS DATA 7 NIFS DATA 7 (Ar), NIFS DATA 74 (CO), NIFS DATA 76 (SF6), NIFS DATA 77 (N), NIFS DATA (X ) NIFS DATA 79 (Xe), NIFS DATA 80 (F, Cl, Br, I), NIFS DATA 81 (water vapour), NIFS DATA 8 (H), NIFS DATA 8 NIFS DATA 83 (HF, HCl, HBr, HI), NIFS DATA 87 (NH3, PH3), NIFS DATA 90 (CH4) b bl h d b Many bibliographic database were not published. opened as web database CH4 13 (from NIFS-DATA-90)

14 Hayashi s bibliographic database http //dpc nifs ac jp/ha ashi/ 14

15 3. Research Resea c act activities v t es related e ated to AM data Experimental and theoretical study on tungsten ions h have b been carried i d out. EUV and visible spectra of Tungsten ions measured with Tokyo EBIT, y, CoBIT,, and LHD Atomic structure calculations for Tungsten ions CR model for Tungsten ions Sputtering experiments for Tungsten target EUV spectra measurements of rare earth elements such as Nd (Z=60), Gd (Z=64), Tb (Z=65), and Dy (Z=66) with LHD for next EUV light source for lithography. This year we plan to measure Yb (Z=70), (Z 70) Sm (Z=6), (Z 6) and Er (Z=68). 15

16 Spectroscopic measurements by using LHD and CoBIT Large Helical Device (LHD) can hold plasma stably with impurity input by pellets/tespels. pellets/tespels Electron temperature and density can be measured independently. Compact EBIT (CoBIT) produces plasma with low 10cm-3)). electron density y (~10 ( CoBIT can control charge state distribution by electron beam energy (00eV kev). kev) It is easy to identify spectral 16 lines.

17 EUV Spectra of W measured byy CoBIT Identify of HCI charge state IP(+ -> 3+)=643eV W XXVII W XXXV W XXVI W XXXIV W XXV W XXXIII IP(3+ -> 4+)=690eV Peak B W XXIV Peak A W XXXII W XXIII W XXXI W XXII W XXX W XXI W XXIX W XX W XXVIII 17

18 Peak wavelengths Shifted with charge Sakaue et al. APiP (011) 5f-4d W8+ 5g-4f 6g-4f inner shell excitation Measured peak wavelengths agree with ones calculated with a collisional radiative model which is constructed with atomic data collisional-radiative calculated by the HULLAC code in configuration mode (configuration averaged energy and total angular momentum J for energy levels). levels) 18

19 CoBIT spectrum 6g-4f transition 5g-4f t transition iti CoBIT spectrum p 5f-4d transition 5p-4d transition W4~8+ W8~3+ W4~8+ W8~33+ LHD Plasma spectrum 19

20 Visible spectra of W ions measured by CoBIT Komatsu et al. (Plasma Fusion Res. 7, , 01) M1 visible i ibl ttransitions iti among th the ground d state t t ffor W6+ [4f-]4 - [[4f-]5/[4f]7/] nm (MCDF), 389.4nm (exp) Ding et al. J. Phys. B 44 (011)

21 1D visible spectral measurements for W ions for LHD plasma with W- TESPEL injection p j Spectral sampling time of 140 ms at every 50 ms. Before After t=3.8s kev t 4.05s t=4.05s 0.3keV t=3.85s 1.5keV Te profiles t=3.93s 0.7keV t=3.9s 0.9keV D. Kato et al, HCI01@Heidelberg t=4.1s 0.0keV CCD images of line emissions in a visible range obtained in three successive sampling time frames before and after the TESPEL injection.

22 Observation of tungsten M1 line at the LHD <- A spectrum of emission lines from highly charged tungsten ions observed at LHD ( h t #108785). (shot #108785) The Th scale l on the th right i ht hand h d side of the top panel shows photon counts per pixel of the CCD detector. Measured wavelengths (nm) and references. Numbers in p parentheses are uncertainties. a. b. c. CoBIT, A.Komatsu et al. Phys.Scr. T144 (011) Tokyo-EBIT, H. Watanabe et al. Can.J.Phys. 90 (01) 497. graspk, X.-B.Ding et al. JPB 44 (011) D. Kato et al, HCI01@Heidelberg

23 Radial intensity profile of W44+ ions in LHD plasma Radial profile of W44+ as 6.09nm line was measured using a space resolved EUV spectrometer in LHD. The absolute intensity was determined and the local emissivity profile was calculated using Abel inversion technique. technique Obtained profile was compared with the transport calculation and agreed only at the core plasma. Estimated E ti t d ion i density: d it n(w (W44+)/n )/ e~ , nw/n / e~ Estimated total radiation loss with average ion model is ~4MW, which roughly 4 agrees with the measurement.

24 Collisional radiative model for W ions Synthesized spectra for Te= 1keV and 530eV in ionization equilbrium Ion abundance in equilibrium W ion 1.00E A Abundance E E Te (ev) Sasaki and Murakami, J. Phys B 46 (013) f 4d 4d 4p ne=1019 m 3 6g 4f, 5g 4f 5f 4d etc. measurement Main M i charge h states are (1keV) (1k V) andd 6 (530eV) (530 V) UTA at 4 6nm and features at -3nm by n=4-5 and 4-6 transitions are roughly reproduced by the model. Special distributions of plasma temperature and density are to be considered. Murakami, J. Plasma Fusion Res., 89 (013), 314 (in Japanese). 5

25 For more systematic understandings on spectra due to 4f 4d/4p 4d transitions with different Z: Spectral appearance in LHD depending on Te and Z High Te Sn (Z=50) Low Te UTA Discrete lines Gd (Z=64) W (Z=74) Bi (Z=83) Not yet measured d 6

26 4. NIFS DATA publications ( ) NIFS DATA 114 T. Ono, M. Ono, K. Shibata, T. Kenmotsu, Z. Li, T. Kawamura Calculation of Sputtering Yield with Obliquely Incident Light Ions (H+, D+,, T+,, He+,) and its Representation by an Extended Semi empirical Formula Apr. 13, 01 NIFS DATA 113 P. Jönsson, P. Bengtsson, J. Ekman, S. Gustafsson, L.B. Karlsson, G. Gaigalas, C. Froese Fischer, D. Kato, I. Murakami, H.A. Sakaue, H. Hara, T. Watanabe, N. Nakamura, N. Yamamoto Relativistic CI Calculations of Spectroscopic Data for the p6 and p53l C fi Configurations i iin Ne like N lik Ions I between b Mg M III and d Kr K XXVII Oct. 04, 011 7

27 5. Domestic collaborations related to AM data in NIFS Measurements of absolute cross sections for electron capture processes off low l energy multiply lti l charged h d heavy h metal t l ions i in i diverter di t region (K. Soejima et al.) (Wq+ + He; q=6 and 7; Wq+ + H) Kinetic and Potential Energy gy of Excited Atoms and Molecules on Wall Surfaces Bombarded with Light Ions (K. Motohashi, Y. Sakai et al.) Atomic and Molecular Database of Hydrogen isotopes and Hydrocarbons (M. (M Kitajima et al.) al ) Atomic and Molecular database of Light Elements (M. Kitajima et al.) Spectroscopy ions using p py of highly g y charged g tungsten g g Electron Beam Ion Trap (N. Nakamura et al.) Spectroscopic measurements and database development for highly charged rare earth elements (F. (F Koike et al.) al ) 8

28 6 C 6. Concluding l di remarks k A&M database activities: Small reorganization in NIFS (establishing Division for Information and Communication Systems) would help our database activities. activities Collaboration with VAMDC will start. A & M data related activities: LHD experimental group on AM processes continues to measure various spectra especially W ions and activate our AM related research. Basic cross section measurements on charge exchange processes of W ions and H are to start. start 9