Transcript Data Handling in the Nuclear Data Section of the IAEA

IAEA Atomic and Molecular Data Unit
D. Humbert, R.E.H. Clark, K. Sheikh
19th Data Center Network Meeting
Vienna, 3-5 October 2007
IAEA
International Atomic Energy Agency
Outline
• Coordinated Research Projects (CRP)
• Data Issues
• Xenon and Tungsten calculations
• Joint project IAEA-ADAS
• New developments
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GENIE
ALADDIN: collisions processes, surface interactions
AMBDAS
Web calculations
XML format for A+M data
• Publications
• Work Plan and Conclusions
IAEA
CRP: Co-ordinated Research Project
Joint Project with research effort on topic of interest to fusion:
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Representatives from 10 to 15 research institutions
Duration of 3-5 years
Research Coordination Meeting (RCM): periodic meeting at IAEA Headquarters
Goals:
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Data generation
Compilation and assessment of data
Data evaluation
Establishment of databases
Data and results:
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Final results published in “Atomic and Plasma-Material Interaction Data for
Fusion” (APID)
Data included in ALADDIN: http://www-amdis.iaea.org/ALADDIN/
IAEA
Active and Planned CRPs
Title
Duration
Atomic and molecular data for plasma
modelling
2005-2009
Atomic data for high Z element impurities
in fusion reactors
2005-2009
Data for surface composition dynamics
relevant to erosion processes
2007-2012
Size, composition and origin of dust in
Tokomaks.
IAEA
To be initiated in 2008
CRP on A + M Data for Plasma Modelling
2007 - 2012
Overall objective
Gathering and generating new data relevant to modeling the edge region of
plasmas relevant to nuclear fusion energy devices
• Cross sections, rate coefficients, branching ratios, and kinetic energies from
various sources for hydrides (with isotopes) and hydrocarbons.
• Surface interactions, such as sticking and generation of hydride species
First outputs and outcomes
• New generated data
• Data used in the EIRENE code
Agenda
• Second RCM, 18-20 June 2007
• Final RCM, November 2008
IAEA
CRP on A + M Data for Plasma Modelling
Participants
Research Agreements
Bastiaan J. Braams Emory University, Atlanta, USA
Mario Capitelli
Centro di Studio per la Chimica de Plasmi, Universita di Bari, ITALY
Ursel Fantz
Institut für Physik, Universität Augsburg, GERMANY
Khaled Hassouni LIMHP, Université Paris XIII, Villetaneuse, FRANCE
Mineo Kimura
Department of Chemistry, Kyushu University, JAPAN
Mats Larsson
Department of Physics, Stockholm University, SWEDEN
B. M. McLaughlin Queen's University of Belfast, Belfast, UK
Detlev Reiter
Institut für Plasmaphysik (IPP), Jülich, GERMANY
David Schultz
Oak Ridge National Laboratory, Oak Ridge, USA
Hiroshi Tanaka
Faculty of Sciences and Technology, Sophia University, JAPAN
Jonathan Tennyson Dept. of Physics & Astronomy, University College London, UK
Research Contracts
Stefan Matejcik
Ratko Janev
Dzenek Hermann
IAEA
Dept. of Plasmaphysics, Comenius University, SLOVAK REPUBLIC
Macedonian Academy of Science and Art, Skopie, Macedonia
V. Cermak Laboratory, Prague, Czech Republic
CRP on Atomic Data for High Z elements
impurities in Fusion Reactors
Overall objective
Two main areas addressed: edge and core regions.
Relevant elements heavier than Mg: noble gases (Ar, Kr and Xe), Si, Cl, Cr,
Fe, Ni, Cu, Mo and W, for nearly all stages of ionization.
Processes:
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Electronic collision: excitation, ionisation, recombination including DR
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Heavy particle collisions: charge exchange and excitation (thermal and beam)
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Radiative data: transition probabilities, transition energies and energy levels,
ranging from IR to X-rays
First outputs
Benchmark data for some important processes (transition probabilities, excitation
and ionization cross sections, charge transfer and recombination)
Agenda
Second RCM, 26-28 September 2007
Final RCM, May 2009
IAEA
CRP on Atomic Data for High Z elements
impurities in Fusion Reactors
A. Den Hartog
M. Cornille
D. Fursa
K. Katsonis
A. Müller
T. Kato
Luo Zhengming
V. Nikulin
M. Trzhaskovskaya
M. O’Mullane
W. L. Wiese
H. Zhang
IAEA
University of WisconsinUSA
LUTH, Observatoire de Paris, Meudon,FRANCE
Murdoch University, Perth, AUSTRALIA
LPGP, Universite de Paris XI, Orsay, FRANCE
Justus-Liebig-Universität, Giessen, GERMANY
NIFS, Toki, JAPAN
Sichuan University, China
Ioffe Physical Tehcnical Institute, St. Petersburg,
St. Petersburg Nuclear Physics Inst., St. Peterburg
EFD/JET Facility, Abingdon, UNITED KINGDOM
NIST, Gaithersburg, USA
LANL, Los Alamos, USA
CRP on Surface Composition Dynamics
2005-2009
Overall objective
• To collect and generate new data relevant to erosion dynamics in fusion
reactors
• To better understand of the erosion processes and to find possible
methods to control the erosion
• Investigated materials will be the most common in fusion reactor
machines and mainly the ones foreseen for ITER: C, W, Be
Outcomes
• Experimental and theoretical Data on erosion process
• Data on transport of atoms and molecules
• Data to be included in the plasma modelling codes like EIRENE
First RCM 17-19 October 2007
IAEA
CRP on Surface Erosion
Participants
Alain Allouche
Daiji Kato
Russel Doerner
James Davies
Jungling Chen
Kai Nordlund
Karl Krieger
Predrag Krstic
Yuri Martynenko
R. Zalavutdinov
IAEA
University of Provence, Marseille, France
NIFS, Toki, Japan
University of California, San Diego, USA
University of Toronto, Toronto, Canada
Chinese Academy of Sciences, Heiji, China
University of Helsinki, Helsinki, Finland
Max-Planck-Institut für Plasmaphysik, Garching, Germany
LANL, Oak Ridge, USA
Kurchatov Institute, Moscow, Russia
Russian Academy of Science, Moscow, Russia
Size, composition and origin of dust in
Tokomaks
Objectives
• To determine the size, composition and origin of dust in
tokomaks
Recommendation
• Consider dust from a variety of elements such as C, W
and Be
• Evaluate the role of dust in the tritium inventory and in
safety issues
First RCM planned in 2008
IAEA
Ending CRPs
Title
Duration
Tritium inventory in fusion machine
2001-2006
Atomic and Molecular Data for Fusion
Diagnostics
2002-2006
Data for molecular processes in edge
plasmas
2002-2006
IAEA
CRP on Tritium Inventory in Fusion
Reactors
Overall Outputs: New data relevant to the overall inventory of tritium in fusion
reactors, with special emphasis on the interactions of tritium with plasma facing
components and methods for tritium removal
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Removal of tritium is an important issue for ITER
Investigated materials include carbon, tungsten and beryllium
Effects of dopants, dependence on particle and heat load
Flux and fluence dependence of chemical erosion, main issue in plasma
modelling
Still some questions on erosion sources
Electron-simulated desorption, glow discharge and laser heating are all being
investigated for tritium removal
APID publication, volume 15 is in progress. Review paper to be published in
Nuclear Fusion.
IAEA
CRP on Data for Molecular Processes in
Edge Plasmas
Overall Objective
To identify the specific molecular processes that are important to the plasma
physics in the edge regions and to provide data for some of these processes
Outputs
• Most important molecular species were: molecular hydrogen with all possible
isotope distributions, CO, CO2, CH4, C2-C3 group hydrocarbons, silicates,
nitrogen compounds and H2O
• Numerous data were produced for the following processes: ionisation,
recombination, attachment, detachment, excitation, de-excitation, dissociation,
charge transfer, chemical reactions, energy transfer and plasma wall
interactions
• APID, volume 13 is in press. Available data are included into ALADDIN.
IAEA
Atomic and Molecular Data for Fusion Diagnostics
Objective
To identify the needs for A+M data for the diagnostics of core and edge plasmas and for
the diagnostics of the velocity distribution of fusion alpha particles.
Outputs
• A variety of cross-sections, required for spectral observations near the strike zone and
divertor region, have been measured and calculated
• Cross-section data for both electron and proton impact, required for helium beam
diagnostics, have been generated
• Data have been produced for use in the determination of species from light elements
such as helium, boron and hydrocarbons, as well as heavy elements such as tungsten
• Data on spectral properties were generated to assist greatly in spectral analysis of
plasma emissions
• X-ray emissions from impact on surfaces have been addressed
• Data have been generated for use in hydrogen charge exchange spectroscopy for
determination of the flow and temperature of impurities in the divertor region
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APID, volume 14 is in press. Available data are included into ALADDIN.
IAEA
Workshop on A+M Data for fusion Energy Research
Trieste, 28 Aug.-8 Sept. 2006
14 participants (+ 3 ICTP associates) from 11 members states
8 lectures:
• Electron impact processes in atomic ions
• Plasma wall interactions in magnetic fusion
• Atomic and Molecular data on the web
• Codeposition and Plasma Interaction with Codeposited/Mixed Materials
• Photo-fragmentation of Atoms and Molecules
• Use of Atomic Data in Plasma Modeling
• Charge Exchange in Collisions of Ions with Atoms and Molecules
• Fundamental Elementary Process in Plasmas
• Atomic and Molecular Data in Fusion Edge Plasmas
Next workshop planned for 2009
IAEA
IAEA International Workshop on
Challenges in Plasma Spectroscopy for Future Fusion Research Machines
20-22 February 2008, Jaipur, India
http://bitmesra.ac.in/iaea_cps08/index.htm
Joint International workshop
• Birla Institute of Technology (BIT)
• Plasma Science Society of India (PSSI)
• International Atomic Energy Agency (IAEA)
Topics
• Fusion plasma diagnostics using radiations covering infrared to X-ray region
• Development of high performance instrumentation for spectroscopy and detection
• Active diagnostics using atomic beams and lasers
• Imaging techniques
• Simulation and modelling for interpretation of spectra
• Collisional-radiative and impurity transport modeling
• Generation of new Atomic and Molecular data relevant to fusion research
Registration and abstract deadline: 15 October 2007
IAEA
OPEN-ADAS
ADAS is an interconnected set of computer codes
and data collections for modelling:
• Radiating properties of ions and atoms in plasmas
• Analysis and interpretation of spectral measurements
Database scope: data for fusion and astrophysical
application
Project
• Make the data in ADAS searchable, provide free web
access to the data
• Presence of Alan Whiteford to this meeting
IAEA
Calculations
Xenon
• Data required for a CR model, K. Katsonis, LPGP
• Cross sections for Xe I to VII, using the LANL codes
• Excitation cross sections by electron impact
• Ionization cross section by electron impact
• Photoionization cross sections
• Autoionization cross section
• Data will be available on the IAEA A+M Data Unit web site
Tungsten
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Los Alamos, Joe Abdallah et al.
Massive calculations for CR Model on Tungsten
Data available for highly ionized tungsten (W 54 to 74)
The calculations will be extended to lower ionization states
All data will be available from the IAEA A+M Data Unit web site
IAEA
New computing Developments
Web
• Numerical database Aladdin
• Bibliographic database AMBDAS
• Web search engine GENIE
• Tools for cross section calculations
XML
• XML format for A+M/PSI Data
• Presentation of Yuri
IAEA
XML format for A+M/PSI Data
• Initiated in 2003 during the DCN meeting
• Working group
Dave, Yuri, Bob, Denis (DCN)
M.-L. Dubernay, E. Roueff (Obs. Paris-Meudon)
• Meetings twice a year
• Workshops
• NIST, 1-2 May 2007
• Spring 2008, Observatoire Paris-Meudon, France
• Presentation of Yuri
• First version of A+M/PSI XML, in 2008
IAEA
GENIE
http://www-amdis.iaea.org/GENIE
Web search engine for atomic data, available on the IAEA
and the LPGP (GAPHYOR) web sites
• Radiative properties – search on 8 databases
• Link to OPEN-ADAS?
• Collisional databases – search on 4 databases including a
new one:
• NIST Atomic Cross Sections (March 2007)
• Upgrades, version of September 2007
• New criteria: rate coefficients and/or cross sections
• New process: dielectronic recombination
• Extension to more processes, molecular data and link to
bibliographical data
IAEA
ALADDIN
http://www-amdis.iaea.org/ALADDIN
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Specifications:
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P. Kristic, F. Meyer and D. Humbert, May 2007
Online version: July 2006
• 2 databases: “Atomic
and Molecular
Data” and “Particle-Surface interactions”
• Process
classification
• More friendly interface
• Erosion / Sputtering
• Unit conversion • Reflection
• Sublimation
• Trapping,
Detrapping
New version for collisional
processes
• Electron impact processes and electron emission
• New specifications: consultancy of Predrag Krstic and Yuri Ralchenko, August 2005
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Output data (from ALADDIN)
New version for the particle
surface
Output quantity
are interactions
based or probabilities (yields) as function of
various input quantities:
• Particle fluence or flux
Outcomes
• Energy
fluence
flux
• Correction of a significant
amount
ofordata
Power
fluence or flux
• Improvement in the• data
structure
• friendly
Surfacewith
temperature
• New interface, more
no more hierarchical level
• Impact energy
• Impact angle
IAEA
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Presentation to the RCM on “Surface Erosion”
Web calculation tools
IAEA
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Cross sections of bare nuclei on hydrogenic ions
http://www-amdis.iaea.org/HEAVY/
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New process : ionization, Pablo Fainstein and Alain Dubois
Average approximation for electron impact excitation of atomic ions
http://www-amdis.iaea.org/AVERAGE/
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Results from collisional radiative calculations of plasmas are available, as
carried out with the Los Alamos modelling codes
http://www-amdis.iaea.org/RATES/
LANL
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Los Alamos atomic physics codes: an interface is available to run several Los
Alamos atomic physics codes to calculate atomic structure and electron impact
excitation and ionization cross sections (fine structure levels and configuration
average)
http://aphysics2.lanl.gov/tempweb/
IAEA
Publications
International Bulletin on Atomic and Molecular Data for Fusion
• Published once a year
• Last editions
• Volume 64 published in August 2005
• Volume 65 published in July 2006
• Volume 66 planned for October 2007
Atomic and Plasma-Material Interaction data for Fusion (APID Series)
• Data and papers related to results produced by CRPs and Consultants
groups
• Edition in preparation
• Volume 15: CRP on “Tritium Inventory in Fusion Machines”
• Editions in press
• Volume 13: CRP on “Atomic Data for Plasma Diagnostics”
• Volume 14: CRP on “Data for Molecular Processes in Edge Plasmas”
IAEA
Distribution List
Daff
Daff (Data for fusion), [email protected]
Distribution list to disseminate information on Atomic and
Molecular, Particle Surface Interaction (AM/PSI) data
relevant to the fusion energy research
176 members, as of October 2007
List administrated by A+M Data Unit, moderated by Bob
and Denis
IAEA
Agenda year 2007
• 2nd RCM on “Atomic data for high Z element impurities in fusion
reactors”, 26-28 September 2007
• XML meeting, 1-2 October 2007
• DCN meeting, 3-5 October
• 1st RCM on “Data for surface composition dynamics relevant to erosion
processes”, 17-19 October 2007
• XML meeting, Paris, 6-7 December 2007
IAEA
Agenda year 2008
• IAEA Workshop on “Challenges in Plasma Spectroscopy for Future Fusion
Research Machines”, Jaipur, India, 20-22 February 2008
• Code Center Network (CCN)
• XML Meeting, April and October 2008
• XML Workshop on “A+M/PSI Data”, May 2008
• IFRC Subcommittee Meeting, June 2008
• Final RCM on “A+M Data for Plasma Modelling”, November 2008
• 1st RCM on “Size, Composition and Formation of Dust in Tokomaks”
IAEA
Agenda year 2009
CRPs
• Final RCM on “Atomic Data for High Z Element Impurities in Fusion Reactors”,
February 2009
• 2nd RCM on “Data for Surface Composition Dynamics Relevant to Erosion
Processes”
XML
• XML Workshop on “A+M/PSI Data”
• 2 XML Meetings
Workshop
• Workshop on “A+M/PSI Data for Fusion Energy Research”, Trieste
Staff issues
• Bob’s retirement on 31st July 2009
• Denis’ end of contract, 29 September 2009
DCN
• DCN Meeting, September 2009 ?
IAEA
IAEA, Vienna International Centre,
Atomic and Molecular Data Unit
http://www-amdis.iaea.org/
IAEA
Work Plan & Conclusions
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Coordinated Research Project: 3 to 4 active CRPs
IAEA Workshop on “Challenges in Plasma Spectroscopy for Future
Fusion Research Machines”, Jaipur, India, 20-22 February 2008
Workshop on A+M Data for Fusion, Trieste, ICTP, September 2009
Computer Code Network (CCN)
Consultancies (XML, Web Codes Developments)
Software Developments
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XML for A+M/PSI Data
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GENIE
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ALADDIN and AMBDAS
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Web codes
Publications
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Bulletin volume 66 (October 2007) and volume 67 (July 2008)
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APID series: volume 13 and 14 in press, volume 15 in
preparation
IAEA