atomic and molecular data activities for fusion … · t. nakano japan atomic energy agency atomic...

T. Nakano Japan Atomic Energy Agency

Atomic and Molecular Data Activities

for Fusion Research in JAEA

"Technical Aspects of Atomic and Molecular Data Processing and Exchange"

(21st Meeting of the Atomic and Molecular Data Centres),

7-9 September 2011, IAEA HQ, Vienna, Austria

Be

W

C

ITER Main plasma ( T= 1 ~ 20 keV ) • W and Ar transport and radiation control

• Data for collisional-radiative models

(A coefficients, excitation, ionization,

radiative/dielectronic recombination rates,,,)

Limited availability:

Evaluated data for highly ionized W ions

Data needs in fusion research

Data needs:

Issues:

Issues:

Data needs:

Divertor and SOL plasma ( T= 0.1 ~ 100 eV ) • C, Be and W erosion

• D(T) recycling

• Transport of intrinsic (C, Be and W) and

seeded impurities (N, Ne, Ar,,, )

• Radiation control of seeded impurities

• S/XB data for Be I and W I, II ,,,

• Dissociative recombination/excitation rates and

ro-vib. transition rates of D(T)2+, D(T)3

+ , CxD(T)Y

• Data for CR models for N, Ne, Ar and W

• Charge eXchange rate of C, Be and N

Limited availability: Lowly ionized W ions

Contents Our actives since the last meeting in Sept., 2009.

• Compilation

Chemical sputtering yield

• Production

Charge eXchange of Be4+ & C4+,6+ with H(n=2)

Dissociative recombination of H2+ and isotopes

• Evaluation

Analytic expression for He collision systems

W44+ ionization / W45+ recombination rate coefficient

Commissioned research by JAEA since 2007

Niigata

Univ.

Shimakura

Kitasato

Univ.

Tagagi

Osaka Nucl.

Sci. Assoc.

Tabata /Hori

Nagoya

Univ.

Matsunami

Kyoto

Univ.

Ito /Imai

Univ. of

Elec.-Com.

Ohtani

Tokyo

Metro.

Univ.

Tanuma

Cal. Cal. Fitting Compilation Exp. Exp. Exp.

2007 CX: B5+ + H*

C6+ + H*

Analytical

Fitting: He

Chemical

sputtering:

Impurity

doped C

CX: W+

=> W0

Spectrum:W~30+

2008 CX: Be２+ + H*

Be3+ + H*

DR: H2

+

Analytical

Fitting: He

Chemical

sputtering:

C by O+

CX: W2+

=> W+

Spectrum:W~30+

2009 CX: Be4+ + H*

C4+ + H*

DR: HD+,D2

+

(DT+), T2+

Analytical

Fitting: He

Chemical

sputtering:

CFC by O+

2010 CX: C4+ + H*

C6+ + H*

DR: DT+

3HeH+

4HeH+

CX: C4+ + H*

2011 All the commissioned researches were cancelled


• Compilation


• Production



• Evaluation



Previous method (-2007); used were the stark mixed states:

H* feels electric filed from the projectile Xq+ if H* is at finite R.

Production of Charge eXchange cross-section data*

State-selective electron capture cross-sections for

Be2+ ,Be3+ ,Be4+ ,C4+ ,C6+ with H*(n=2) at 60 – 6000 eV/amu

calculated by the closed coupling method without the stark mixing.

*)JAEA-commissioned research with N. Shimakura of Niigata Univ.

ex.) S state:

Present method; pure 2s & 2p state were used:

Closed-coupling equation was solved from finite R.

C3+(n=6) production is dominant C

ross s

ection (

10

-16

cm

2 )

C3+(7l)

C3+(5l)

C3+(6l)

C3+(total)

Y2p = 0.41FSP+ - 0.40FSP- + 0.82Y2p+1

C4+ + H*(2s)

Energy ( keV / amu )

Cro

ss s

ection (

10

-16

cm

2 )

C3+(7l)

C3+(5l)

C3+(6l)

C3+(total)

Y2p = 0.41FSP+ - 0.40FSP- + 0.82Y2p+1

C4+ + H*(2p)

Energy ( keV / amu )

C3+(n=6) production is dominant

FY -2007 2008 2009 2010

n=2 state Stark mixed Non-Stark mixed

H(SP-), H(SP-) Be２+ , Be3+ , Be4+

B3+ , B5+

C4+ , C6+

H(2s), H(2p) Be２+

Be3+

Be4+

C4+

C4+

C6+

List of produced CX cross-section data

Application:

• CR model for C IV : C4+ + H*(n=2) is implemented*

• Diagnostics of high energy neutrals:

H+ (receiver, high energy ) + C5+ (donor, thermal)

=> H (high energy) + C6+

*) T. Nakano et al., J. Plasma Fusion Res. 80 (2004) 500.


• Compilation


• Production



• Evaluation



Production of DR cross-section of H2 isotopes

MAR: one of the important processes in cold and dense

divertor plasmas such as detached plasma.

• Charge eXchange : H+ + H2(v) => H + H2+(v’)

• Dissociative recomb: H2+(v’) + e- => H + H*

H2 works like a catalyst for H+ recombination

, enhancing H+ recombination.

*)JAEA-commisioned research with H. Takagi of Kitasato Univ.

**) K. Sawada and T. Fujimoto, Phys. Rev. E 49 (1994) 5565.

***) H. Kubo et al., J. Nucl. Mater. 337 (2005) 161.

The rate coefficient of MAR depends on v and v’

State specific (rot.&vib.) cross sections are calculated*)

Application: the calculated data will be

implemented in the H2 collisional-radiative model**

used for modeling of JT-60U detached divertor plasmas

( H and H2 spectral line/band analysis***)

Capture of electron into Core-excited state <Config. Inter.>

Rydberg state <Non-Adia. Inter.>.

Multi-channel Quantum Defect Theory

for NAI and unifying bound/continuum.

Rat

e co

nst

ant

(cm

3/s

)

Collision energy (eV)

HD+(v=0) DR, 300K rotaional temperature

Collision energy ( eV )

Rate

coeffic

ient

( cm

3/s

)

Cal.(’95):

CI: 1st order perturbation (potential energy

includes CI)

NAI: MQDT with rotation and vibration*

Cal(‘99):

CI: Numerical solution of Lippmann-

Schwinger eq. with analytic form CI

MQDT: Including dissociative channels

and core-excited Rydberg series**

Cal.(’09, ’11):

CI: Soln. with numerical fitting form CI***

NAI: Between the dissociative states by

MQDT *) H. Takagi J. Phys. B 26 (1993) 4815.

**) H. Takagi Phys. Scr T96 (2002) 52.

***)H. Takagi et al., Phys. Rev. A 79 (2009) 012715.

HD+ dissociative

recombination

(v=0, Tr=300K)

TARNII

TSR

CRYRING

1storder

potCI+1storder

(Cal. ‘95)

Present (Cal.’09)

Progress of DR cross-section calculation

Collision energy ( eV )

Cro

ss s

ection (

cm

2 )

H2+(v=0) + e ->

H(1s) + H(n)

n-distribution also provided

total

n=2

n=3 n=4

n=5

n>6

MAR may enhance H(n=3)

May resolve discrepancy:

n(3)Measured > n(3)Recomb.

(> n(3)Ioniz. )

***) K. Fujimoto, T. Nakano et al., Plasma Fusion Res. 4 (2009) 25.

JT-60U

DR: H2+(v) + e -> H(1s) + H(n) (n-distribution also calculated)

DE: H2+(v) + e -> H(1s) + H+ + e

Ro.-vib transition: H2+(v, N) + e -> H2

+(v’, N’) + e

List of produced DR data

FY 1995 - 1999 2009 2010 2011

DR(ro.)

Ee < 1eV

H2+, HD+, D2

+, 4HeH+ H2+ HD+, D2

+,

(DT+), T2+

DT+ ,3HeH+,4

HeH+

DR(vib.)*

DE(vib.)*

0.2< Ee < 11eV

H2+, HD+, D2

+

H2+ HD+, D2

+ ,

(DT+), T2+

H2+, HD+,

D2+ ,DT+, T2

+

ro.-vib.

transitions

H2+, HD+, D2

+, 4HeH+

H2

+


• Compilation


• Production



• Evaluation



ITER

W Plasma

Divertor

Tungsten as a plasma-facing component

high melting point => compatible with high heat flux

low hydrogen (T) retention => safety, economy

low sputtering yield => long lifetime

Chosen as a divertor material in ITER

Issues in a core plasma

High radiation => Lowering temperature

Accumulation => dilution of fuels

Needs to reduction of W density

Data needs

Cooling rate:

Wq+ cooling rate averaged under ionization equilibrium

Fractional abundance:

Wq+ ratio calculated under ionization equilibrium

Accurate (evaluated) ionization/recombination rates required

Evaluation of


nW45+(4s)

nW44+(4s)=S44+®45+

a 45+®44+

Ex.

Calculation of Dielectronic Recombination rate (aDR)

B(i) =SAr

SAr + SAaBranching ratio:

Aa and Ar are calculated with FAC

6000

4000

2000

0

Term

en

erg

y (

eV

)

3d10

4s

3d94s4pnl

3d94s4p

3d10

4s2

3d10

4snl

e- autoionize: Aa

Arcapture radiation:

3d94s4p4l'

Cu-like (W45+

)

Zn-like (W44+

)

(doubly excited)

10-18

10-17

10-16

10-15

Ioniz

ation

& r

eco

mb

. ra

te (

m3

/ s

)

102

103

104

105

106

Te ( eV )

FAC DR.

FAC RR.

FAC Ioniz.

Loch Ioniz.*

ADPACK mod**

W44+

-> W45+

W45+

-> W44+

10-18

10-17

10-16

10-15

Ioniz

ation

& r

eco

mb

. ra

te (

m3

/ s

)

102

103

104

105

106

Te ( eV )

FAC DR.

4d nl

4p nl

4s nl5d nl

5p nl

*S Loch et al., Phys. Rev. A 72 (2005) 052716 **T Putterich et al., Plasma Phys. Control. Fusion 50 (2008) 085016

Accurate recombination rates required => Calculated with FAC

Present Ref**

Ionization FAC (DW) Loch code* (DW)

Dielectronic Recombination W44+-46+ : FAC

the others: ADPACK mod. ADPACK mod.

( x 0.39 ) Radiative Recombination FAC

Te ( eV )

Different Fractional abundance between AUG* and FAC

*T Putterich et al Plasma Phys. Control. Fusion 50 (2008) 085016

Still different:

Shift to lower Te

in AUG calculation

Experimental validation

in JT-60U plasmas

0.001

2

4

0.01

2

4

0.1

2

4

1

Fra

ctio

na

l Abu

nda

nce

5 6 7 8 9

103

2 3 4 5 6 7 8 9

104

Te ( eV )

1

0.1

0.01

44+

45+ 46+

Fra

ctional A

bundance

AUG*

FAC

10-11

10-10

10-9

10-8

Excitatio

n r

ate

( c

m3 /

s )

101

102

103

104

Te ( eV )

1.5

1.0

0.5

0.0

Ra

tio o

f E

xcita

tio

n r

ate

s

W44+

: 4s2 1

S0 - 4s4p 1P1, 205 eV, 204 eV, 205 eV

W45+

: 4s 2

S1/2 - 4p 2P3/2, 201 eV, 199 eV, 200 eV

W44+

W45+

W45+

/ W44+

~ 0.44

LLNL, FAC, ORNL**) C P Ballance J. Phys. B 40 (2007) 247

LANL FAC ORNL

Ce

45+(4s, 4p)·nW45+(4s)·neI W45+(6.2 nm): 4s 2S1/2 - 4p 2P3/2 =

Excitation rate

Ce

45+(4s,4p)

Ce

44+(4s,4p)·nW45+(4s)

nW44+(4s)·ne

ne

= I W44+(6.1 nm): 4s4s 1S0 - 4s4p 1P1

Close excitation energy (199 ev and 204 eV)

Similar energy dependence of Ce S44+®45+

a 45+®44+~ 0.44 ·

(Ioniz.rate)

(Recomb.rate)

Ioniz. Equi.

Calculation

Measurement

Constant excitation rate ratio of W44+ and W45+

1.5

1.0

0.5

0.01.51.00.50.0

- 40%

+ 30%

Measure

ment

Calculation

Ce

45+(4s, 4p)·nW45+(4s)·neI W45+(6.2 nm): 4s 2S1/2 - 4p 2P3/2 =

Excitation rate

Ce

45+(4s,4p)

Ce

44+(4s,4p)·nW45+(4s)

nW44+(4s)·ne

ne

= I W44+(6.1 nm): 4s4s 1S0 - 4s4p 1P1

Close excitation energy (199 ev and 204 eV)

Similar energy dependence of Ce S44+®45+

a 45+®44+~ 0.44 ·

(Ioniz.rate)

(Recomb.rate)

Ioniz. Equi.

Calculation

Measurement

W44+ ionization / W45+ recombination rate evaluated

*) T. Nakano J. Nucl. Mater. in Press (2010)

Measurement

Uncertainty ~ 30%

S44+®45+

a 45+®44+

Within the uncertainty,

is accurately calculated.

1:1

Summary A&M activities in JAEA after the last meeting in Sept., 2009

were summarized.

Charge eXchange cross-sections of Be4+ & C4+,6+ with H(n=2)

Dissociative recombination cross-sections of H2+ and isotopes

were produced with calculation by the commissioned researches.

W44+ ionization / W45+ recombination rate coefficients

were calculated with FAC and evaluated in JT-60U experiment.

After the disaster, we decided NOT to continue commissioned researches, which were our key activities for more than 20 years.

Near future, we will try to resume commissioned researches under another framework for example, Broader Approach.

Thank you!

Organization Staff

• Main contributor:

T. Nakano

Experimental research on nuclear fusion plasmas

in the JT-60U tokamak

A member of ITPA ‘SOL and Divertor plasma physics’ topical group

• Contributors:

H. Kubo (Naka-site): former representative of JAEA

A. Sasaki (Kansai-site)

M. Sataka (Tokai-site)

K. Moribayashi (Kansai-site)

Radiative power ( line radiation ) is highest between 2 – 4 keV

Dominant charge states change at Te ~ 4 keV

from highly raditive n=4-shell to lowly radiative n=3-shell

Decrease of Lw

10-26

10-25

10-24

Ra

da

tive

po

wer

rate

( W

cm

3 )

102

2 4 6 8

103

2 4 6 8

104

2 4

Te ( eV )

W63+W

70+

W64+

W46+W

28+ - 37+W

38+ - 45+W25+ - 27+

Lw = ! q LWq+ Fa(q)

Lw*

Radiative power rates calculated with FAC

4f

*T Putterich et al Nucl. Fusion 50 (2010) 025012

Comparison of calculated radiative power rate

with NLTE5 workshop results**

FAC calculation is in agreement with the NLTE5 results

**Y Ralchenko et al AIP Proceedings 1161 (2009) 242 *T Putterich et al Nucl. Fusion 50 (2010) 025012

10-26

10-25

10-24

Ra

da

tive

pow

er

rate

( W

cm

3 )

102

2 4 6 8

103

2 4 6 8

104

2 4

Te ( eV )

Ref*

FAC

NLTE5

1.5

1.0

0.5

0.01.51.00.50.0

- 40%

+ 30%

-64.5eV 2s

n=4

n=7

n=3

n=6 n=5

(De)

Excitation

Sponta

neous t

ransitio

n

Ioniz

ation

Radia

tive,3

-bod

y r

ecom

b.

Die

lectr

onic

recom

b.

C I

V (

Li-lik

e)

C V

n=1

n=2

-13.6eV

D0

D+

-3.4eV

Charg

e

eX

change

recom

b.

Application: Collisional-Radiative model for C IV*

Solution of Rate Equation

nC3+(p) = R1nenCIV (Ionizing )

+ R0nenCV (Recombining )

+ R0'nDnCV (CX-Recomb. )

• A coef. & (De) excitation:

n<5 ADAS

n>6 Hydrogenic approx.

• Ionization, 3-body recomb.:

ECIP approx.

• Radiative & Dielectronic

recomb.:

n < 10 Nahar

• Charge exchange recomb.:

D(n=1): ADAS

D(n=2):Shimakura


10-10

10-9

10-8

10-7

10-6

10-5

Po

pu

lation

/ S

tatistical W

eig

ht

2015105

Principal Quantum Number

RecombinationIonization

Experiment(Normailised by n(3p))

Recombinationwith CX

Recombnation + Ionization Calculation conditions:

Te = 20 eV

ne = 1.7x1020m-3

TD = 70 eV

nD = 1.0x1018m-3

nCIV / nCV = 0.1

Charge transfer recombination with D (n=2)

is one of the excitation processes of high n levels

C3+(n=7) is dominated by CX-recomb. component


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