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Mem
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of
the H
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holt
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Detlev Reiter | Institute of Energy Research – Plasma Physics |
HYDKIN: towards online hydrogen and hydride kinetics to publicly expose A+M data in particular edge modelling applications
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 2
EMC3 (& B2)CFD, 2D & 3D
Charged fluid parcelsm – 100 m scale
EIRENE3D kinetic
Gyro centers,Entire SOL and Core
mm - m scale
ERO, PEPC“Real” ions (and electrons)PSI in plasma, near solid
(sub-) cm scale
ITER
Integrated edge plasma simulation: “From the barrier to the target”
Drift-Fluid turbulence:Attempt
PMI inside solid: TRIM.xxx, Material science etc…,nm-scale
MICRO
MACRO
Input:Transp. Coeff.
Input:Kinetic boundaryconditions
Mostly ITERcontractual work
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 3
B2 – EIRENE (ITER, since 1991, TEXTOR, ASDEX,…many more see DPC talk)(FV, 2D)
OSM – EIRENE (D-IIID, ITER,….) see talk by David Elder
EDGE2D – EIRENE (JET, since 2007)(FD, 2D)
EMC3 – EIRENE (W7AS (1999) , TEXTOR, W7X,…ITER (2010)(MC, 3D)
FIDAP – EIRENE (Philips Lighting, finished, lamps marketed in 2008)(FEM, 3D)
+….many stand alone applications to specific physics questions
Atomic, Molecular and Surface physics is mainly integrated into fusion edge plasma codes via kinetic (Monte Carlo) solvers: DEGAS-2 (US), NIMBUS (stopped), NEUT2D (JP), EIRENE (EU) , …
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 4
Numerical tool for the edge plasma transport:B2-EIRENE code package
B2: a 2D multi species (D+, He+,++, C4+..6+,…) plasma fluid code
EIRENE: a Monte-Carlo neutral particle, trace ion (He+, C+, C++) and radiation transport code.
Plasma flowParameters
Source terms (Particle, Momentum, Energy)Computational Grid
Self-consistent description of the magnetized plasma, and neutral particles produced due to surface and volume recombination and sputtering
see www.eirene.de
CR codes:HYDKIN
SOLPS4.3: ITER.org (Cadarache) – FZ Juelich jointly developed and applied: since about 15 years
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 5
2004 reference 2009 reference
F46 F57
Calculations slow so use the previously studied variants to see the progression
Extend parallelization of EIRENE to B2-EIRENE (2008), + HPC-FF, ….
li=0.8
0.8
0.8 0.63
0.7
0.7
The geneology of ITER divertors2007-2009: New reference design B2-EIRENE: main ITER edge plasma design tool
Kukushkin A., Lisgo, S. et al. (ITER IO)Kotov. V., Reiter D. et al., (FZ-J)Pacher G. et al. (INRS-EMT, Varennes, Québec, Canada)
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 6
B2 – EIRENE (ITER, since 1991, TEXTOR, ASDEX,…many more see DPC talk)(FV, 2D)
OSM – EIRENE (D-IIID, ITER,….) see talk by David Elder
EDGE2D – EIRENE (JET, since 2007)(FD, 2D)
EMC3 – EIRENE (W7AS (1999) , TEXTOR, W7X,…ITER (2010)(MC, 3D)
FIDAP – EIRENE (Philips Lighting, finished, lamps marketed in 2008)(FEM, 3D)
+….many stand alone applications to specific physics questions
Atomic, Molecular and Surface physics is mainly integrated into fusion edge plasma codes via kinetic (Monte Carlo) solvers: DEGAS-2 (US), NIMBUS (stopped), NEUT2D (JP), EIRENE (EU) , …
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 7
EMC3-EIRENE:FZJ: mainly tokamak applications (RMPs)
Example: DIII-D ELM mitigation scenarios
Goal: quantify PSI, when RMPs are applied in ITER (since July 2010: FZJ-IPP-CEA)
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 8
Hydride Collision Databases for Technical Plasmas and Fusion Plasmas
Methane (CHy) C2Hy C3Hy Silane (SiHy)
Reviewed EIRENE database Series 2002-…., (several IAEA CRP’s)FZ-Jülich (R. Janev, D. Reiter et al.) www.eirene.de www.hydkin.de
p,H,H-,H2,H2+,H3
+
JUEL 4005, Oct. 2002Phys. Plasmas, Vol 11,2, (2004) 780
JUEL 3966, Feb 2002Phys. Plasmas, Vol 9, 9, (2002) 4071
JUEL 4038, Mar. 2003Contr. Plas.Phys, 47, 7, (2003) 401-417
JUEL 4105, Dec. 2003Encycl. Low. Temp. Pl. 2007 (in russian)
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 9
www.hydkin.de
Online data baseand data analysis tool-box:
- CR model condensation- Sensitivity analysis- Fragmentation pathway analysis- Reduced models
• Hydrocarbons• Silanes• H, H2, H3
+,….• W, W+, ….W 74+
• N, N2
Basic input for EIRENE: A&M data, ( & surface data)Goal: publicly expose raw data used in any modelling
Next GOAL: BeH, BH, ……
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 10
raw data
HYDKINdatabasetoolbox
EIRENE3D Monte Carlokinetic transport
Interface
2004 -- ……(ongoing)
TEXTOR, JET,ASDEX, DIII-D,
JT-60, LHD, …..ITER
Spectral (time scale) analysis
fragmentation pathways
Sensitivity analysis
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 11
Molecular Data analysis (www.HYDKIN.de): IAEA, Data centers (ORNL, NIFS, …)
CH4 C2H6 C3H8
DE RKJ 2009 JR 2004 JR 2004
DE+ RKJ 2009 JR 2004 JR 2004
I-DI RKJ 2009RKJ 2009
##JR 2004 ##
DI+ RKJ 2009 JR 2004 # JR 2004 #
CX-PR JR 2002 JR 2004 JR 2004
R-DR JR 2002 RKJ 2009 RKJ 2009
JR 2002
R. K. Janev and D. Reiter, Phys. Plasmas 9, 4071 (2002);
JR 2004
R. K. Janev and D. Reiter, Phys. Plasmas 11, 780 (2004)
RKJ 2009
D. Reiter, R. K. Janev, Hydrocarbon collision database: revisions, upgrades and extensions, Atomic and Plasma-Material Interaction Data for Fusion, Vol 16, IAEA, Vienna, (2010) , and: Contr. Plasma Phys. (2010)
# new experiments planned in 2010, Univ. Louvian la Neuve, P. Defrance et al.# # Revision planned in 2010, Univ. Innsbruck, T. Märk et al
DE: Dissociative excitation of neutral moleculesDE+: Dissociative excitation of molecular ionsI-DI: Ionisation and Dissociative Ionisation of neutral moleculesDI+: Dissociative Ionisation of molecular ionsCX-PR: Charge exchange and particle re-arrangementR-DR: Recombination, Dissociative Recombination
2010Upgrade disabled:
published exp. Datainconsistent
2010Upgrade ongoing:
more low T reactions:Particle exchange
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 12
www.hydkin.de
Major difference to other online A@M toolboxes:
Not COLL. RAD., but SPECTRAL A@M modelling
(needed in codes for time-scale analysis)
Online sensitivity analysis possible !
Perhaps in the future: Revised data reduction scheme (ILDM rather than CR):Dauwe,Tytgadt, Reiter, JUEL 4229, Nov. 2006,Availabe on www.eirene.de/html/relevant_reports
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 13
HYDKIN.de: online sensitivity analysis
Analytic solution for sensitivity,online
Z(t)=d(ln[nY])/d(ln<rate>)
Identify, print and plot the mostsensitive parameters:
If <rate> changes by x %Then nY changes by x * Z %
Breakup of CH4 @ 40 eV(143 parameters)
At 40 eV (TEXTOR)Only DE, I, DI processes are relevant,(nearly) no dependence on transport at all
Phys. Scr. T138 (2009) 014014
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 14
HYDKIN.de: online sensitivity analysis Phys. Scr. T138 (2009) 014014
Analytic solution for sensitivity,online
Z(t)=d(ln[nY])/d(ln<rate>)
Identify, print and plot the mostsensitive parameters:
If <rate> changes by x %Then nY changes by x * Z %
Breakup of CH4 @ 2 eV(143 parameters)
At 2 eV (detached divertor, PSI-2)Only CX, DR processes are relevant,strong dependence on transport details
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 15
TRIM-codes family, online database for fully kinetic reflection velocity space PDFs
Particle reflection coefficient, D --> FE, 30 degree
0.0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1.0
1 10 100 1000 10000
eV
Eckstein 1983
TRIM-1985
TRIM-2002
SDTrimSP 2007
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 16
Storing full 3D pdf of reflectedparticles, for given incident energy (12) and angle (7)i.e. 84 tables for each target-projectile combination
Next: similar database forsputtering.
TRIM database (www.eirene.de)
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 17
Goal: replace various scalings (e.g. Yamamurafor incident angle dependence) by full database,same format as for EIRENE-reflection database
Still not decided:how to parameterizea) Surface roughness,b) Material mixing
Universal sputtering law: Janev,Ralchenko, et al.for normal incidence yield.
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 18
Backup slides
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 20
Revisions 04-09:APID Vol. 16 (2009)
Issue: backward compatibility
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 21
NEW: surface reflection database
NEW: added after Juel-Reports and PoP papers
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 22
Choose plasma background
Integration time
Graphical presentation
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 23
Printout:
Reflect input as selected
(composition, initial condition,Influx, transport losses, per species)
Printout:
All individual rates used
Output for interface to EIRENE
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 24
Solution, vs. time (distance)
Here: 0 1e-4 s
Species selected for printout and plotting
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 25
Online solution of time-dep. (1D) Hydrocarbon breakup, for any prescribed divertor plasma conditions, up to C3H8
Same, integration time 0 1e-3
Runtime of online code is independentof chosen time interval for integration
(same for 1e-6 or 1e+6 s)
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 27
Spectral analysis:Identification of reduced models:ILDM
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 28
Very complex reaction chains (approx. 500 individual processes)in fusion plasmas: catabolic sequence dominant, little: anabolismEigenmode analysis of reaction rate equations very simple:Define “Stiffness parameter”: λmax/ λmin,, ratio of max. to min. eigenvalues
fast slow
Detlev Reiter | Institute of Energy Research – Plasma Physics | Association EURATOM – FZJ No 29
ILDM
Combustion and flame modelling is mathematically analogto diffusion-reaction modelling of ITER divertor detachment.
Unfortunately: reduced models („intrinsic low dimensional manifolds, ILDM“) only applicable at very low plasma temperatures
Full reaction kinetics required
Spe
cies
to
be
reta
ined