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1 Equation of Radiative Transfer 23 rd Meeting of the Atomic and Molecular Data Centres Network Aspects and prospects of KAERI atomic data center 4-6 Sept. 2017, IAEA Headquarters, Vienna, Austria Duck-Hee Kwon and Kil-Byoung Chai Nuclear Data Center Korea Atomic Energy Research Institute

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Page 1: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

1

Equation of Radiative Transfer 23rd Meeting of the Atomic and Molecular Data Centres Network

Aspects and prospects of

KAERI atomic data center

4-6 Sept. 2017, IAEA Headquarters, Vienna, Austria

Duck-Hee Kwon and Kil-Byoung Chai

Nuclear Data Center

Korea Atomic Energy Research Institute

Page 2: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

2

Equation of Radiative Transfer Outline

1. Research Activities (2015-2017)

2. KAERI Atomic Database Updates

3. Summary and Outlook

Page 3: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

3

Equation of Radiative Transfer Research Activities 1. State-of-the-art calculations for the electron-impact ionization and recombination, and photoionization data which are essential in modeling for laboratory and astrophysical plasmas

ITER wall design

Sun Star SNR

Galaxy AGN

2. Spectroscopic measurement in plasma devices and collisional radiative modeling for analysis on the measured spectra

Page 4: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

4

Equation of Radiative Transfer Research Activities

1. Dielectronic recombination (DR)

• Highly charged W44+~W46+

• Lowly charged W5+~W11+

2. Photon emissivity coefficient (PEC)

• W5+~W48+

3. Spectroscopic measurement &

collisional-radiative (CR) modeling

• Ar

Page 5: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

5

Equation of Radiative Transfer Spectroscopic Modeling

Emissivity εij for line transition i→j

),(PEC,, eeijeZij nTtrntrn Photon Emissivity Coefficient

Radiative transition probability

Collisional excitation (CE) rate

0

Ground state for any charge state of Z ions

i

j

any k below i

CE from 0 to i

Radiative transitions

Simple coronal Model for state population density

ik

ik

ij

i0eijA

AXTPEC

Charge Z ion density

from transport modeling

Electron density

e

e

e

T

ZeVT

Zcmn

232/1

83

110162.1exp

1106.5

with hydrogenic approximation

Atomic Data

Page 6: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

6

Equation of Radiative Transfer Transport Modeling

Page 7: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

7

Equation of Radiative Transfer Photon Emissivity Coefficient (PEC)

Page 8: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

8

Equation of Radiative Transfer Photon Emissivity Coefficient (PEC)

FAC data vs. ADAS data

For eg. W25+ Total 9+496 levels 1+28 states

Full J-J coupled level resolved scheme

Configuration average scheme

Page 9: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

9

Equation of Radiative Transfer Impurity injection experiment in KSTAR

On the courtesy of In Woo Song in KAIST and KSTAR team

Page 10: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

10

Equation of Radiative Transfer Measured spectra in KSTAR

On the courtesy of In Woo Song in KAIST and KSTAR team

LoS for CAES on KSTAR

- Simple 2-D configuration (only the pinhole position and the detector position are considered) - 10 lines of sight (corresponding to 10 channels during #16958) - Sample points are generated on the LoS with equal distance

apart

- Thomson data at 4.15 s (100 ms averaged) are used - Fitted by using tanh function

Channel 1

Channel 10

Lines of sight, Thomson Te & ne profiles

Page 11: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

11

Equation of Radiative Transfer Measured vs. modeled spectra

Page 12: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

12

Equation of Radiative Transfer Transport free modeled spectra Fractional abundance from ADAS ca09_w.dat (ionization) and acd50_w.dat (recombination). PEC from FAC calculations

Page 13: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

13

Equation of Radiative Transfer Ionization data for W

D.-H. Zhang and D.-H. Kwon, JPB 47, 075202 (2014)

W17+

FAC level resolved

ADAS CADW

ADAS ionization data by CADW ab-initio calculation for W ions is reliable within 30-50% accuracy being compared with other ab-initio calculations and the data set is available for all ionization stages.

W+

D.-H. Kwon, Y. S. Cho, and Y. O. Lee, IJMS 356, 7 (2013)

W25+

A. Kyniene, S. Pakalka, S. Masys, and V. Jonauskas, JPB 49, 185001 (2016)

Page 14: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

14

Equation of Radiative Transfer Recombination data for W

Page 15: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

15

Equation of Radiative Transfer DR data for W

IAEA&KAERI Joint CM on DR for W (Sept. 2015)

ADAS recombination data based on a simple Burgess formula for W ions quite differ from other ab-initio calculations and the data is not available for many ionization stages.

ab-initio calculation

f jfk jk

t ttjt jt

jAA

BAAB

ra

rr

j B

ij

j

a

jij

2/3

B

2

0

i

i

Tk

EexpBAg

Tk

Rya4

g2

1)T(

Burgess formula

j

ji

2/3Ze

14

i

T

Eexp)y(Af

T

)T,q(D)q(Bnn1059.7)T(

Page 16: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

16

Equation of Radiative Transfer IAEA-KAERI joint CM on DR for W

At KAERI (Sept. 2015)

Page 17: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

17

Equation of Radiative Transfer New recommended DR data for W ions

ADNDT in press, available online 5 June 2017

Page 18: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

18

Equation of Radiative Transfer New recommended DR data for W ions

ADNDT in press, available online 5 June 2017

Page 19: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

19

Equation of Radiative Transfer DR data for W ions (Our calculations)

D.-H. Kwon and W. Lee, JQSRT 170, 182 (2016); ibid., 179, 98 (2016)

D.-H. Kwon and W. Lee, JQSRT, 179, 98 (2016)

Page 20: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

20

Equation of Radiative Transfer DR data for W ions (Our calculations)

Page 21: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

21

Equation of Radiative Transfer DR data for W ions (Our calculations)

Ion Ground configuration

FAC (eV)

NIST (eV)

% Error

W4+ 4f145s25p65d2 51.62 51.6 0.04

W5+ 4f145s25p65d 65.20 64.77 0.66

W6+ 4f145s25p6 116.92 122.01 4.17

W7+ 4f145s25p5 or 4f135s25p6

140.53

141.2

0.47

W8+ 4f145s25p4 162.17 160.2 1.35

W9+ 4f145s25p3 180.9 179.0 1.06

W10+ 4f145s25p2 203.93 208.9 2.38

W11+ 4f145s25p 4f135s25p2

231.6

Threshold energy of resonance for DR of Wq+ (q = 5-11)

Page 22: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

22

Equation of Radiative Transfer DR data for W ions (Our calculations)

4f145s25p65d

Ground level 4f145s25p6

Ground level

Page 23: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

23

Equation of Radiative Transfer DR data for W ions (Our calculations)

4f145s25p5

Ground level 4f145s25p4

Ground level

Page 24: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

24

Equation of Radiative Transfer DR data for W ions (Our calculations)

4f145s25p3

Ground level 4f145s25p2

Ground level

To be submitted.

Page 25: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

25

Equation of Radiative Transfer DR data for W ions (Our calculations)

4f135s25p2

Ground level

Due to so many resonances of 4f core excitation, DR via 4f transition has been still run.

Page 26: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

26

Equation of Radiative Transfer Spectroscopy in CCP device

Langmuir Probe

Optical Emission

Spectroscopy

13.56 MHz RF CCP

Experimental setup

Page 27: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

27

Equation of Radiative Transfer Spectroscopy in CCP device

Langmuir probe diagnostics and OES

Te = 2.6 eV

ni = 5.6×1015 m-3

680 700 720 740 760 780 800 8200.00

0.05

0.10

0.15

0.20

0.25

Inte

nsity (

a.u

.)

wavelength (nm)

30 mTorr 5 W

10 20 30 0

EE

PF

(m

-3eV

-3/2

)

Energy (eV)

1012

1014

1013

1011

1015

Langmuir probe data OES data

EEPF: measured by Impedans Ltd. Langmuir probe

Spectra measured by Ocean Optics HR4000 (calibrated)

Page 28: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

28

Equation of Radiative Transfer CR modeling for Ar

J

1S25

110-145m

J

1S25

2-5

41j

0

16

0

Lp4p3 ,2p states Excited:N

Ps4p3 ,1s states

2,4)(j resonance and 3) 1,(j Metastable:N

Sp3stateGround:N

Under construction !

Page 29: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

29

Experiment Equation of Radiative Transfer Database updates

Our website for atomic data and CR modeling

http://pearl.kaeri.re.kr

Page 30: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

30

Experiment Equation of Radiative Transfer Summary & Outlook

1. We have calculated PEC for tungsten (W) ions Wq+ (q = 5-48) by

parallelizing radiative transition routine of FAC.

2. We had compiled available DR data for W ions and gave the

recommended data through IAEA and KAERI joint CM.

3. We have calculated DR for Wq+ (q =5-11, 44-46) and will calculate DR

for Wq+ (q = 30-34).

4. We have installed a CCP device and measured plasma temperature

and density for Ar with a Langmoir probe. OES for Ar has also been

carried out. CR modeling including detailed collision and radiative

processes will be constructed.

5. We have updated the calculated atomic data and implemented

the previous CR modeling for He I on our Web DB

(http://pearl.kaeri.re.kr).

6. Parallelization for FAC was done for AI routine will be performed.

7. Unitary correction for collisional excitation routine based on distorted

wave approximation of FAC will be tried.

Page 31: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

31

Collaborations

ITER Korea VUV Diagnostic Team, KSTAR Team

Dept. of Physics, Fusion Plasma Transport Research Center

Physical Metrology team: Absolute calibration for spectrometer

Page 32: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

32

Fractional abundance

Nuclear Data Center

Page 33: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

33

Transport free spectrum

Main ions emitting 14-25 nm VUV

W VUV Spectra measured in KSTAR

Page 34: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

34

Fractional abundance difference

0.01

0.1

1

Fra

ctio

na

l a

bu

nd

an

ce

1 10 100 1000 100000.1

1

10

Ne

w/A

DA

S

Electron temperature (eV)

Page 35: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

35

Spectra sensitivity

Page 36: Aspects and prospects of KAERI atomic data center · Radiative transitions Simple coronal Model for state population density ¦ ij k i ik ij e 0i A A Charge Z ion density PEC T X

36

Modeling uncertainties

• Electron temperature & density profiles

• Transport D & V coefficients

• Time evolution of impurity

• Atomic data for ionization and recombination

• PEC beyond coronal model