[PPT] - ( C T A M O P , Q u e e n ' s U n i v e r s i PowerPoint Presentation

SLIDE 1

( C T A M O P , Q u e e n ' s U n i v e r s i t y

f

B e l f a s t ) C

l

l a b

r

a t

r

s : S D L

c

h , C J

h

n s

n

, D E n n i s ( A u b u r n U n i v e r s i t y ) M O ’ M u l l a n e ( U n i v e r s i t y

f

S t r a t h c l y d e / J E T )

D a t a C e n t e r N e t w

r

k 2 5 , S e p t 2 9

O

c t 2 , 2 1 9 , I A E A , V i e n n a

SLIDE 2

O v e r v i e w

f

t a l k

1 . B r i e f r e m i n d e r

f

t h e e x p t / t h e

r

y a n d t h e c a p a b i l i t i e s

f

R

m

a t r i x t h e

r

y a n d

t

h e r t h e

r

y r e s u l t s w i t h i n t h e l i t e r a t u r e ,

u

r e x p e r i m e n t a l c

l

l a b

r

a t

r

s a n d t h e i n t e r f a c e

f
u

r r e s u l t s w i t h A D A S . 2 . D e v e l

p

m e n t

f

t h e c

d

e b a s e t

m

e e t t h e c h a l l e n g e

f

h e a v y c

m

p l e x s p e c i e s 3 . E l e c t r

n
i

m p a c t e x c i t a t i

n
f

W I , WI I 4 . E l e c t r

n
i

m p a c t i

n

i s a t i

n
f

W I 5 . U n c e r t a i n t y q u a n t i fj c a t i

n

w

r

k p r

g

r e s s e s

SLIDE 3

Tungsten employed at JET,

ITER, DIII-D and

(CTH -Compact Toroidal

Hybrid), Auburn University)

Tungsten has favourable

physical properties such as high thermal conductivity.

C T H ( A u b u r n U n i v e r s i t y ) We v a l i d a t e

u

r t h e

r

e t i c a l s y n t h e t i c s p e c t r a a g a i n s t

n

g

i

n g s p e c t r a l m e a s u r e m e n t s a t C T H ( A u b u r n U n i v e r s i t y , U S A ) a n d D I I D ( G e n e r a l A t

m

i c s , C A , U S A )

SLIDE 4

R

ma

t r i x / R

ma

t r i x w i t h P s e u d

s

t a t e s ( R M P S ) r e v i e w

SLIDE 5

C a p a b i l i t i e s

M
s

t fj r s t

r

d e r e l e c t r

n
i

m p a c t d r i v e n p r

c

e s s e s E l e c t r

n
i

m p a c t e x c i t a t i

n

E l e c t r

n
i

m p a c t i

n

i s a t i

n

E l e c t r

n
i

m p a c t r e c

m

b i n a t i

n

( D R / r a d i a t i v e )

+

p h

t
i
n

i s a t i

n

, p h

t
n
e

x c i t a t i

n

(

p

a c i t y )

T

h e c

d

e s s h

u

l d c

v

e r m

s

t

f

t h e p e r i

d

i c t a b l e , a n d t h e r e a r e L S c

u

p l i n g ( n

n
r

e l a t i v i s t i c ) , B r e i t

P

a u l i ( s e m i

r

e l a t i v i s t i c ) a n d D i r a c R

m

a t r i x s u i t e s

f

c

d

e s . T h e r e s u l t s a r e s t

r

e d i n A D A S ( O ’ M u l l a n e ) , C L O U D Y ( G . F e r l a n d ) , C h i a n t i ( D e l Z a n n a ) f

r

m a t s

c

n

n

r

b . f r e e s h e l l .

r

g ( l

g

i n a n d p a s s w

r

d a v a i l a b l e

n

r e q u e s t )

SLIDE 6

P h

t
i
n

i s a t i

n

/ p h

t
e

x c i t a t i

n

SLIDE 7

T r a d i t i

n

a l l y , w e c

m

p a r e d

u

r r e s u l t s a g a i n s t a s t r

n
m

i c a l

b

s e r v a t i

n

a n d l a b

r

a t

r

y m e a s u r e m e n t . We s t i l l d

,

e i t h e r r e m a i n i n g

b

s e r v a t i

n

s f r

m

t h e A L S ( A d v a n c e d L i g h t S

u

r c e , C A , U S )

r

t h e S O L E I L e x p e r i m e n t ( F r a n c e ) h v + K r I I h v + X e I I T h e a b i l i t y t

m

a p

u

t t h e fj n e r e s

n

a n c e s t r u c t u r e a n d i d e n t i f y i n d i v i d u a l r e s

n

a c e s i s a s t r e n g t h . T

p

r

v

i d e e x p e r i m e n t s a d v a n c e i n f

r

m a t i

n

i s a l s

a

s t r e n g t h

SLIDE 8

T h e

r

y c a n a i d b y s u g g e s t i n g w a v e l e n g t h w i n d

w

s a n d d i s t i n c t i s

l

a t e d d i a g n

s

t i c l i n e s

SLIDE 9

E l e c t r

n
i

m p a c t e x c i t a t i

n

SLIDE 10

R-matrix strength is near neutral open shell systems such as Fe II (3d^4,4s^2) (Rosetta Stone), which has a long history …. Smyth et al, Monthly Notices of the Royal Astronomical Society. 483, 1,

p. 654-663 2019

SLIDE 11

V a r i

u

s C a l c u l a t i

n

s f

r

t h e 1

2

t r a n s i t i

n

i n F e I I ( ^ 6 D g r

u

n d s t a t e ) J = 9 / 2

7

/ 2 )

SLIDE 12

S t e l l a r O p a c i t i e s

SLIDE 13

H i g h p e r f

r

m a n c e c

m

p u t i n g + s c r i p t i n g = c

m

p r e h e n s i v e d a t a s e t s ( b

u

n d

b
u

n d , b

u

n d

f

r e e , f r e e

f

r e e t r a n s i t i

n

s ) i . e . t

t

a l p h

t
i
n

i s a t i

n
f

e v e r y F e X V I I l e v e l

SLIDE 14

A l l t h e R

m

a t r i x c

d

e s , b u t i n p a r t i c u l a r t h e D i r a c R

m

a t r i x c

d

e s r e q u i r e d m a j

r

r e v i s i

n

.

1 . T u n g s t e n e x c i t a t i

n

/ i

n

i s a t i

n

f

r

m a n y i

n

s t a g e s i n v

l

v e s

p

e n d a n d s h e l l s y s t e m s , w h i c h r e q u i r e s a t a r g e t d e s c r i p t i

n
f

s e v e r a l h u n d r e d

f

t h

u

s a n d l e v e l s . 2 . F r

m

t h e s c a t t e r i n g p e r s p e c t i v e ( w h e t h e r e x c i t a t i

n
r

i

n

i s a t i

n

) i n v

l

v e s t h

u

s a n d s

f

s c a t t e r i n g c h a n n e l s . U n l i k e p e r t u r b a t i v e m e t h

d

s t h e s e c h a n n e l s a r e a r e a l l c

u

p l e d . 3 . E x t e n s i v e w

r

k ( i n t e r m s

f

m u l t i

l

e v e l M P I ) i s r e q u i r e d i f w e a r e t

b

u i l d H a m i l t

n

i a n m a t r i c e s i n e x c e s s

f

2 5 K b y 2 5 K i n a fj n i t e p e r i

d
f

t i m e . 4 . O f p a r t i c u l a r n

t

e i s t h e i n c l u s i

n
f

G P U ( G r a p h i c a l P r

c

e s s i n g U n i t s ) , t h a t a s s i s t g r e a t l y w i t h d e n s e m a t r i x m u l t i p l i e s

SLIDE 15

Y

u

h a v e m e n t i

n

e d 1 , c h a n n e l s a n d m a t r i c e s e x c e e d i n g 1 K b y 1 K , b u t d

e

s n

t

t h e R

m

a t r i x h a v e t

b

e c a l c u l a t e d f

r

e v e r y e n e r g y ?

1 , * 1 , * 1 , = 1 ^ 1 3

p

e r a t i

n

s …. . a n d m

d

e r n C P U s

n

l y a r e

f

t h e

r

d e r 1 ^ 9

p

e r a t i

n

s p e r s e c . D

y
u

w a i t a n h

u

r p e r e n e r g y p

i

n t ? N

f
r

t u n a t e l y , w e c a n e m p l

y

G P U s ( G r a p h i c a l P r

c

e s s i n g U n i t s ) f

r

t h e d e n s e m a t r i x m u l t i p l i e s

SLIDE 16

SLIDE 17

N e u t r a l T u n g s t e n E x c i t a t i

n

/ I

n

i z a t i

n

w h y t u n g s t e n ?

… I w i l l t a l k a b

u

t R

m

a t r i x r e s u l t s , b u t I ’ m a w a r e

f
t

h e r a p p r

a

c h e s D u c k

H

e e K w

n

( B E B ) , M S P i n d z

l

a ( T D C C : c

n

fj g u r a t i

n
a

v e r a g e ) , M u r a k a m i ( D WA : C

w

a n & H u l l a c )

SLIDE 18

: High-Z materials are leading candidates for fjrst wall materials in future fusion energy devices

Allowable impurity concentration

lower for high-Z materials

High-Z materials radiate much

more than previously used materials

Radiation significant enough to

denigrate plasma performance

Concentration needs to be

less than ~1E-4 (Putterich)

Need to accurately quantify and

minimize erosion of wall

V. Philipps

T h e m e r i t s

f

v a r i

u

s w a l l

f

a c i n g m a t e r i a l s , f r

m

c a r b

n

t

t

u n g s t e n

SLIDE 19

T h e i n t e n s i t y

f

a s p e c t r a l l i n e c a n b e r e l a t e d t

i

t s i n fm u x r a t e [ B e h r i n g e r P P C F 3 1 2 5 9 ( 1 9 8 9 ) ] . H

w

e v e r i t m u s t b e c

r

r e c t e d f

r

t h e f a c t t h a t s

m

e

f

t h e i m p u r i t y h a s a l r e a d y i

n

i z e d

T

h e n u m b e r

f

' i

n

i z a t i

n

s p e r p h

t
n

' (

r

S X B ) i s d i r e c t l y p r

p
r

t i

n

a l t

t

h e i m p u r i t y i n fm u x ( Γ).

I mp u r i t y i n fm u x d i a g n

s

t i c s u s i n g S X B c

e

ffjc i e n t s

Γ=∫0

∞ N e S z→z+1 N zdx

Γ=∫0

∞

Ne S

z→z+1

Ai→ j N i N

z

( Ai→ j Ni N

z)N zdx=∫ ∞

N e SXBi→ j

z

( Ai→ j N i N

z )N zdx

SXBi− j

z = S z→ z+1(Ne,Te)

Ai→ j N i N z (Ne,Te)

E fg e c t i v e i

n

i s a t i

n

r a t e ( i n c l u d e s g r

u

n d a n d e x c i t e d s t a t e i

n

i s a t i

n

, a n d s h a l l p r

v

e t r

u

b l e s

m

e )

SLIDE 20

N e u t r a l T u n g s t e n

SLIDE 21

A t

m

i c S t r u c t u r e

L

a r g e s c a l e s t r u c t u r e c a l c u l a t i

n

s c a r r i e d

u

t b y M

n

s g r

u

p ( P a l m e r i / Q u i n e t ) u s i n g C

w

a n c

d

e ( i . e . H F R H a r t r e e F

c

k R e l a t i v i s t i c )

We

h a v e e m p l

y

e d ( G R A S P ) : M C D F a p p r

a

c h , b u t t u n g s t e n i s n

t

p e r f e c t l y k n

w

n

SLIDE 22

E l e c t r

n
i

m p a c t e x c i t a t i

n
f

W I / I I

N

e u t r a l t u n g s t e n ( a d f 4

e

x c i t a t i

n
n

l y ) e x i s t s

SLIDE 23

R e p r e s e n t a t i v e c

l

l i s i

n

s t r e n g t h s f

r

W I u s i n g D A R C c

d

e

SLIDE 24

W I 265.65 nm observed to be on the
rder of the widely used 400.89 line:
Atomic calculations using ADAS

confirm that W I 265.65 nm is strong for divertor temperatures and densities ~1E19 m3 ~ 10eV

Multiple W I lines in the region around

265.65 region:

High density of lines in this region

motivates higher resolution spectrometer/instrument

O v e r v i e w

f

C T H m e a s u r e m e n t s f

r

T u n g s t e n

L

k

i n g f

r

m u l t i p l e i

n

s t a g e s

f

T u n g s t e n w i t h i n t h e s a m e w a v e l e n g t h w i n d

w

SLIDE 25

T u n g s t e n g r

u

n d a n d e x c i t e d s t a t e i

n

i s a t i

n

( p r

b

l e m a t i c )

SLIDE 26

R-matrix/RMPS : ionisation

We have the capability to calculate electron-impact ionisation (ground & metastable) for light to mid-Z elements. With the availability of Prof Badnell's DRMPS (Dirac R-matrix with Pseudo-States) code, the heavier elements are now feasible. Neutral Hydrogen Neutral Lithium Effective Ionisation

It is the accuracy of the excited states that can prove problematic

A little context for RMPS ionisation

SLIDE 27

T

t

a l e l e c t r

n
i

m p a c t i

n

i s a t i

n
f

n e u t r a l a n d s i n g l y i

n

i s e d T u n g s t e n … t h e R

m

a t r i x r e s u l t s a r e c l

s

e t

t

h e D i s t

r

t e d Wa v e r e s u l t s

H

w

e v e r , t h e s e a r e n

t

t h e i

n

i s a t i

n

c r

s

s s e c t i

n

s w e s h

u

l d b e c

n

c e r n e d a b

u

t ( m e t a s t a b l e s ! )

SLIDE 28

E n e r g y ( R y d ) M b We m a y h a v e t

r

e l y

n

t h e E C I P m e t h

d

t

a

c c

u

n t f

r

t h e e x c i t e d s t a t e i

n

i s a t i

n

SLIDE 29

( s l i d e k i n d l y p r

v

i d e d b y C

n

n

r

F a v r e a u ) T h e r e m a y b e a l i n e a r s c a l i n g f a c t

r

b a s e d u p

n

t h e R M P S r e s u l t s f

r

t h e E C I P

SLIDE 30

U n c e r t a i n t y q u a n t i fj c a t i

n

( p r

g

r e s s

n

l i g h t f u s i

n

r e l a t e d e l e m e n t s , h e a v i e r e l e m e n t s r e q u i r e s u b s t a n t i a l r e s

u

r c e s )

SLIDE 31

U n c e r t a i n t y i n T h e

r

e t i c a l C a l c u l a t i

n

s

I C F T s c r i p t

SLIDE 32

T h a n k

y
u

f

r

y

u

r a t t e n t i

n