Recent Activities of CRAAMD A+M Data

Jun YanInstitute of Applied Physics and Compu

tational Mathematics, Beijing, China

Introduction of CRAAMD China Research Association of Atomic and Molecular Data

Founded in 1987 A+M Groups and Physicists of

Institute of Applied Physic and Computational Mathematics Institute of Physics, CAS China Academy of Atomic Energy Fudan University Sichuan University Jilin University Science and Technology University of China National University of Defense technology Beijing Normal University Tsinghua University Northwest Normal University Graduate School of CAS

Objective: Associating Chinese physicists in A+M physics to study and provide the A+M data, and promoting the development of A+M physics in China

IAEA Member, 1989 CODATA-China, work group International Collaboration on AM Data Apply funds to support data research

Motivation

Needs and Application of A+M Data in:X-Ray LaserInertial Fusion EnergyMagnetic Confinement FusionAstrophysicsOthers

X-Ray LaserCollisionally pumped X-ray laser

Finding the Combination of material, ionization state, temperature, electron density, lasing levels that will produce an x-ray laser is challenging.

Inertial Fusion Energy

Design Simulation Diagnostic

Magnetic Confinement Fusion

ManITER (International Thermonuclear Experimental Reactor)

http://www.iter.org

NASA's Chandra X-ray Observatory image (left panel) of the supernova remnant DEM L71 reveals a hot inner cloud (aqua) of glowing iron and silicon surrounded by an outer blast wave. This outer blast wave is also visible at optical wavelengths (right panel).

http://chandra.harvard.edu/

Astrophysics: Non-LTE atomic processes in supernova remnants

John Kolena, http://www.phy.duke.edu/~kolena/snrspectra.html#casa

Recent Activities

Part I: Organizing data collection, study and assessment

1. Dr. C.Z. Dong’s Group (Northwest Normal Univ.)

Ne-like ions: Z=21-92 Energy Levels: 2s22p6, 2s22p53l, 2s12p63l Lines: E1, E2, M1, M2 transition among 2s22p6, 2s22p53l, 2s12p63l

Ni-like ions: Z=31-92 Energy Levels: 3s23p63d10, 3s23p63d94l, 3s23p53d104l, 3s3p63d104l Lines: E1, E2, M1, M2 transition among 3s23p63d10, 3s23p63d94l, 3s23p53d104l, 3s3p63d104l E3and M3 between ground and excited states

Calculating using GRASP92 (MCDF) Collecting data from published papers

Included in CAMDB

4~5

Life of 2p53s states of Ne (unit： 10-12s）oP1

1 oP13

Authors & methodsLength Velocity Length Velocity

Present calculations（MCDF）SC 1556.712 1935.016 17010.995 21118.3773SDT 1499.059 1481.315 20043.834 19296.2413SDT4SD 1693.563 1623.023 20705.071 19661.281Previous calculations*

Avgoustoglou et al. (1998) [9] 1520.683 1665.509 15348.046 16036.673Hibbert el al. (1993) [22] 1523.522 20339.281Aymar et al. (1970) [23] 1520.683 1883.306 20675.467 25017.210ExperimentNIST Database Data (2001) [24] 1636.6 21008.4Curtis et al. (1995) [5] 1470±100 29600±1000Lawrence et al. (1969) [10] 1870±180 31700±1600Kernahan et al. (1971) [11] 1300±100 29800±2000

11 oP 3

1oP

JiP Jf

P WL (nm) A (108s-1) gf

MCDF NIST[1] MCDF NIST[1] MCHF[2] MCDF MCHF[2] 2p53d——2p53p18 2 - 8 3 + 34.06 35.08 2.304e+00 3.0e+00 2.451e+00 2.070e-02 2.319e-0219 4 - 8 3 + 34.30 34.36 9.413e+01 7.2e+01 9.080e+01 1.494e+00 1.432e+0016 0 - 6 1 + 32.72 33.00 8.771e+01 7.0e+01 8.473e+01 1.408e-01 1.334e-0117 1 - 6 1 + 32.17 32.15 7.581e+01 6.0e+01 7.287e+01 3.530e-01 3.357e-01

2s2p63s——2p53s 28 1 + 3 1 - 11.09 12.59 2.164e+02 1.2e+02 1.197e-0128 1 + 2 2 - 10.94 11.60 7.127e+02 5.5e+02 3.837e-012s2p63p——2p53p32 2 - 8 3 + 10.92 11.19 5.952e+02 4.8e+02 5.104e+02 5.330e-01 4.783e-0130 0 - 6 1 + 10.69 11.04 2.930e+02 3.20e+02 2.402e+02 5.023e-02 4.299e-02

Radiation transition properties of Ne-like V

)2/1(2)0(2 2 pp b

)2/1(2)1(22 ppp

)2/1(2)2(22 ppp

)2/3(2)1(22 ppp

)2/3(2)2(22 ppp

)2/3(2)2(2 2 pp

)2/3(2)0(2 2 pp

Threshold energy (keV) Cross Section (10-24cm2) at 2 th.u.a

Transition Present Sampson Present Sampson

31.15 31.06 42.96 43.5

27.12 27.08 29.23 29.3

27.08 27.06 29.26 29.3

31.26 31.17 21.42 21.7

31.23 31.15 21.44 21.7

27.14 27.11 58.40 58.4

27.07 27.02 58.54 58.6

2. Dr. C.Y Chen’s group (Fudan Univ.)Electron impact ionization

1) Some levels of U86+, Xe44+, Fe16+, Au60+

Electron impact ionization cross section of ground states of C-like U

CI effect, DL&CA

4

2) Electron impact ionization of M-shell electron of highly charged ions

K- to Ni- like ions with Z= 50, 60, 65, 70, 74, 79 Ground states and n=4,5 excited states Cross sections (data and fitted parameters using Younger’s formula) Rate coefficients (under Maxwell distribution) Relativistic effects

Method: relativistic distorted wave Born with exchange

uuDuCuBuAQuI /lnln)/11()/11( 22

Younger’s formula

100)(

)()(1(%)1

2

N

i cal

calfit

uQuQuQ

NF Within 1.5%

Most within 1%

Fitting precision

Will be included in CAMDB soon

Relativisticeffect:

Ionization of Ni-like Sn and Au

3. Dr. J.M. Yuan’s group (National Univ. of Defense technology)

Opacity data and calculation for LTE plasma using DTA model

Al plasma at Te=40eV

3~4

Br, 37eV, 0.025g/cc

Au, Te=22.5, density of 0.007g/cc

Other moderate and high-Z element such Fe, Nb and Au

4. Dr. Y.Z. Qu’s group (Graduate School of CAS)

Incident particles

Target molecules

Heavy particle collision: Charge transfer

Included in CAMDB

2~3

Charge transfer: (state selective) cross section and rate

Ions + atomsCq+/Oq+ + H, Cq+/Oq+ + He, Heq+ + He, Bq+ + He, Fq+ + He, Nq+ + He, Sq+ + He, Neq+ + He, Krq+ + He, Siq+ + He, Feq+ + He

Ions + molecules O2 ， N2, CO , CO2, CH4

Will be included in CAMDB soon

5. Dr. L.F. Zhu’s group (Science and Technology Univ. of China)

0 0 0 0( , ) ( , , )e E p AB AB e E p

*0 0( , ) ( , , )S Se E p AB AB e E p

electron-molecule collision

elastic scattering

inelastic excitation

optical oscillator strength (OOS) N2, NO, H2, O2, HCl

generalized oscillator strength (GOS)N2, O2 Will be included in CAMDB soon

C2H6, N2, NO, H2, O2, HF, HCl

NF3, SiH4, C2F6, CF3Br, C2H6, N2, NO, H2, O2, Cl2, HF, HCl

3~4

Elastic DCS of NF3

Data from:L. Boesten, et al.JPB29, 5475(1996)

REC. By L.F Zhu

Inelastic DCS of O2

Data from:M.A. Greeen, et al.JPB35, 3793(2002)

REC. By L.F Zhu

6. Dr. Y.X. Mo’s group (Tsinghua Univ.)Molecular ionization potentialsVibrational energy levels of molecule ions

High precision ZEKE measurement from 1984

2~3

7. Our group (Atomic and Molecular data research center, IAPCM)

1) Electron impact ionization cross section of O-like ions

2) Collection, calculation and assessment of data H-, He-, Li-Ar ion

energy levels, radiative transition (BB, BF) electron impact (de-)excitation, ionization, autoionization dielectronic recombination

Ground states, excited states (n<=6) including doubly excited states

Needed for solving the CR rate equation

Method: Quasi-relativistic DWBE within CA

8

Electron impact excitation cross section of Li-like Ar

0 5 10 15

1E-5

1E-4

1E-3

0.01

0.1

Li-like Ar

/a

02

Reduce energy

2s-2p Present DWE 2s-3p 2s-4p 2s-5p 2s-6p 2s-2p Fitted based CCC+CBE [6] 2s-3p 2s-4p 2s-2p RDWE [7] 2s-3p 2s-4p 2s-5p 2s-2p CC [8] 2s-3p 2s-2p CC [9] 2s-3p 2s-2p SC1 [10] 2s-2p SC2 [10]

Electron impact ionization cross section of ground state of Li-like Ar

0 2 4 6 8 10 12 140.0

0.2

0.4

0.6

0.8

1.0

1.2

1.4

1.6

1.8

2.0

2.2

Cro

ss s

ectio

n(10

-20 cm

2 )

Electron energy(keV)

Ar15+

our Zhao Lennon Lotz Donets

2.0 2.5 3.0 3.50.0

0.5

1.0

1.5

A type

B type

KLO,KLP,KLQ

KLN

KLMKLL

Experiment Theory

DR(1

0-20 cm

2 )

Electron Energy (keV)

Cross sections for DR on He-like argon. The experimental results is from R. Ali et al.’s workPhys. Rev. A 44, 223 (1991)

3) Electron impact ionization, Dissociation with H2O, H2, N2, O2

e + H2O -> e+OH(X 2∑+) +H(1s)

= 10-13/(I*E)*(A*dlog(E/I) +nB(n)*(1-I/E)n-1)

unit: (cm2), I (eV), E(eV)

8. Dr. D.J. Ding’s group (Jilin Univ.)Web-pages of molecular structure and processesKnowledge and typical data

9. Prof. X.T. ZengRe-compile old atomic energy levels and spectra data

11. Dr. X.W. Ma’s group (Inst. of mod. Phys. CAS) Heavy particle collision measurements (state selective)

12. Dr. Y.M. Zou’s group (Fudan Univ.) EBIT measurements

In near future

10. Dr. Z.M. Luo (Sichuan Univ.) Electron impact inner-shell ionization of ions

3~4

Totally about 30 experts and graduated studentsjoined in the CRAAMD A+M data work

1

CRAAMD Atomic Database the only AMD in China

Work on atomic data: 1980’sPC version: till 2001

Mainly include:

Spectra line 400000

Energy levels 70000

And some electronImpact excitation&Ionization data

Recent Activities

Part II: Data Application

AMDatabase

Requirement& treatment

Requirement& treatment

DataApplication

Data Calculation

Discrete Data

Specialneeds

SpecialCodes

Large scale AM Data Application Platform

SpecialDatabase

Database &Integrated Codes

1.Dr. C.Y Chen’s group (Fudan Univ.)Developing and providing codes for calculating the data of electron impact ionization processesMethod: Relativistic DWBE based on GraspVU

2. Dr. J.M. Yuan’s group (National Univ. of Defense technology)

Application of Atomic energy level and spectra database

DTA Opacity calculation (on line)

Database

Saha equation for population

Spectra broadening for Opacity and emissionPresent levels and

Spectra database (not systemic)

Special database calculated using CIV, MCHF, MCDF etc.

In processing

3. Our group (IAPCM)1) Assignment of astrophysics spectra lines

2) IFE Plasma diagnostic

Ar: Te=797 eV, Δw=0.051 nmS: Te=788 eV, Δw=0.053 nm

Lines emitted from the compressed D2+Ar target

Research center of Laser fusion, CAEP

Lines emitted from the compressed D2+Ar target

Research center of Laser fusion, CAEP

5f-3d lines from the gold plasma of the cavity wall

Research center of Laser fusion, CAEP

j j

jjiijii NRRN

dtdN

3). Absorption and emission spectra for Non-LTE plasma

15

20

25

-25

Au, N

e=6*1020

Te=2200

Ba, N

e=1020

Te=250

Ge, N

e=3*1022

Te=400

Ge, N

e=1020

Te=400

Ar, N

e=1020

Te=200

Ar, N

e=3*1021

Te=3000

Mea

n C

harg

e S

tate

Presnet Hullac.1 Hullac.2 Nohel Nohel2e.2 Nomad AGPR/radiom Transpec Fine

1.8 2.91

2.551.95

2.045.09(1.04)

Mean charge states

The Frequency-dependent opacity of Au plasma at Te = 800 eV, Ne = 1020 cm-3

NLTE Plasma: Opacity CR-DCA-UTA

0 1000 2000 3000 4000 500010

100

1000

10000

100000

Present SCROLL

opac

ity(c

m2 /g

)

Photon energy eV

1

10

100

1000

10000

jto

t (TW

cm

-3)

Present Hullac.1 Hullac.2 Hullac.3 Nohel.1 Nohel2e.2 Nomad AGRP/radiom Transpec Fine

Ar 120(4)

Ar 27

Ge 199(5)

Ge 2/105

3

Ba21

Au10(2)

Integrated total emission

0 500 1000 1500 2000 2500 300010-6

1x10-5

1x10-4

10-3

10-2

10-1

100

101

TW c

m-3

eV

-1

Photon Energy (eV)

Present UTA Convoluted

Ge, Te=400eV, Ne=1020

code jtot(TW/cc)Present 12.42Hullac.1 7.55 Hullac.2 398.9 Nohel 4.02Nohel2e.2 20.85 AGPR/R. 4.09Transpec.A. 20.13

Total emission spectra from non-LTE Ge plasma

2000 3000 4000 5000 6000

jtot (T

W c

m-3 e

v-1)

Photon Energy (eV)

present DCA-UTA

Au, Ne=6*1020,Te=2200

present:Z*=48.61J=589

Fine:Z*=48.49J=689

Total emission spectra from non-LTE Au plasma

International communication and collaboration

Recent Activities: III

Prof. R. Janev NIFS AM Database, Prof. T. Kato, NIFS, Japan Spectra3, Prof. P. A. Loboda, Russia

Organizing the Seminar on Atom, Molecule, Cluster and their Application (Aug.29-Sept.1, 2005, IAPCM)

Organizing the Opacity Workshop (Nov. 2005)

Group membersDr. He Bin( 何斌 )Mr. Liu Chun-Lei( 刘春雷 )Dr. Wang Jian-Guo( 王建国 )Prof. Qiu Yu-Bo( 邱玉波 )Prof. Han Guo-Xing( 韩国兴 )Mrs. Pang Jin-qiao( 逄锦桥 )Mrs. Yu Ling( 于伶 )Mrs. Li Ping( 李萍 )Dr. Wu Ze-Qing( 吴泽清 )

Special ThanksCollaboratorsDr. Dong Chen-Zhong( 董晨钟 )Dr. Luo Zheng-Ming( 罗正明 )Dr. Yuan Jian-Min( 袁建民 )Dr. Chen Chong-Yang( 陈重阳 )Dr. Zhu Lin-Fan( 朱林繁 )Dr. Qu Yi-Zhi( 屈一至 )Dr. Mo Yu-Xiang( 莫宇翔 )Dr. Ding Da-Jun( 丁大军 )Prof. Zeng Xian-Tang( 曾宪堂 )And their group members

Prof. R.K. Janev Prof. Takako Kato

Acknowledgement

CODATA Chinese Physical and Chemical Database Project

Chinese Research Association of Atomic and Molecular Data

National Science Foundation of China National High-Tech ICF Committee of China Science and Technology Funds of CAEP

Thanks for your attention!

12.8 12.7 12.6 12.5 12.4 12.3 12.2

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SO2 XUV ZEKE spectra

XUV (eV)

Y.T. Lee and coworkers,J. Chem. Phys., 87,2489 (1987)

Mo Yu-Xiang

High precision ZEKE measurement of SO2+ spectra

Prof. Mo Yu-Xiang’s Group

12.8 12.7 12.6 12.5 12.4 12.3-4

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(300) (100)(200)

(170) (160)

(032) (022) (012) (002)

(150) (140) (130) (120) (110) (100)

(080) (070) (060) (050)

(040)

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(020)

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SO2 XUV ZEKE spectra

XUV (eV)

Assignment of the SO2+ spectra

Prof. Mo Yu-Xiang’s Group