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
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
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.
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
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
+
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
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
W44+ ionization / W45+ recombination rate coefficient
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.
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
-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
*) T. Nakano et al., J. Plasma Fusion Res. 80 (2004) 500.
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
*) T. Nakano et al., J. Plasma Fusion Res. 80 (2004) 500.