IAEA Atomic and Molecular Data Unit · IAEA Atomic and Molecular Data Unit D. Humbert, B. Braams 20th Data Center Network Meeting Vienna, 7-9 September 2009. IAEA ... Second RCM,

IAEAInternational Atomic Energy Agency

IAEA Atomic and Molecular Data Unit

D. Humbert, B. Braams

20th Data Center Network Meeting

Vienna, 7-9 September 2009

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AMD Unit Staff

Bob Clark: retired end of July 2009

Actual teamBas Braams: head as of 1 September 2009Denis Humbert: leaving end of September

ArrivalHyun Chung: 1 October 2009

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Outline

• Coordinated Research Projects (CRP)• Joint project IAEA-ADAS• New developments

• GENIE• ALADDIN: collisions processes, surface interactions• AMBDAS• Code Center Network and web calculations tools• XSAMS: XML format for A+M/PSI data

• Publications• Work Plan and Conclusions

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CRP: Co-ordinated Research ProjectJoint Project with research effort on topic of interest to fusion:• Representatives from 10 to 15 research institutions• Duration of 3-5 years• Research Coordination Meeting (RCM): periodic meeting at IAEA Headquarters

Objectives:To define and to coordinate international research:• Generation, compilation and evaluation of data• Establishment of databases• Development of new techniques

Data and results:• Final results published in “Atomic and Plasma-Material Interaction Data for

Fusion” (APID)• Data included in ALADDIN: http://www-amdis.iaea.org/ALADDIN/

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Active and Planned CRPs

2009-2013Light element atom, molecule and radical behaviour in the divertor and edge regions

2007-2012Data for surface composition dynamics relevant to erosion processes

2008-2012Size, composition and origin of dust in Tokomaks.

DurationTitle

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CRP on Size, Composition and Origin of Dust in Tokomaks

Objectives• To determine the size, composition

and origin of dust in tokomaks• Understand dust transport• Improve dust estimate• Behaviour of radioactive dust• Investigate dust removal techniques

Recommendations• Consider dust from a variety of

elements such as C, W and Be• Evaluate the role of dust in the

tritium inventory andin safety issues

First RCM 10-12 December 2008

Period 2008-2012Flaking of co-deposited layer on

lower part of limiterTFTR, Nov 1998

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ParticipantsPhil Sharpe Idaho National Laboratory, Idaho Falls, ID, USACharles Skinner PPPL, Princeton, NJ, USAChristian Grisolia CEA, Cadarache, FranceAnna Widdowson UKAEA, Abingdon, UKVolker Rohde IPP Garching,

Garching, GermanyL. Khimchenko Kurchatov Institute,

Moscow, RussiaJörg Winter Ruhr Universität,

Bochum, GermanyCarmine Castaldo ENEA, Roma, ItalyNaoko Ashikawa NIFS, Toki, Japan

ObserverSergio Ciattaglia ITER, Cadarache, France

CRP on Size, Composition and Origin of Dust in Tokomaks

Port below divertor of AUGafter 7 years of operation

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CRP on Data for Surface Composition Dynamics Relevant to Erosion Processes

First outputs and outcomes• New generated data, included in ALADDIN• New ALADDIN web interface for PSI• Data will be included in the plasma modelling codes like EIRENE

Period 2007-2012

Second RCM, 11-13 March 2009

Overall objective• To better understand of the erosion processes and to find new methods to control the erosion• To collect and generate new data relevant to erosion dynamics in fusion reactors• Investigated materials will be the most common in fusion reactor machines and mainly the ones foreseen for ITER: C, W, Be

100 eV 90% D +10% W onW-terminated tungsten-carbide

Kai Nordlund, University of Helsinski

2500 3100 3365

Bubble formation

3373

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Karl Krieger Max-Planck-Institut für Plasmaphysik, Garching, GermanyJungling Chen Chinese Academy of Sciences

Heiji, ChinaAlain Allouche University of Provence,

Marseille, FranceJames Davies University of Toronto,

Toronto, CanadaYuri Martynenko Kurchatov Institute,

Moscow, RussiaDaiji Kato NIFS,

Toki, JapanPredrag Krstic LANL, Oak Ridge,

USAKai Nordlund University of Helsinki,

Helsinki, FinlandRussel Doerner University of California, San Diego, USAR. Zalavutdinov Russian Academy of Science, Moscow, Russia

CRP on Data for Surface Composition Dynamics Relevant to Erosion Processes

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CRP on Light Element Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions

ObjectivesTo generate new data for a number of radiative and collisional processes in ions of atoms and molecules of hydrogen, helium, lithium, beryllium, boron, carbon, nitrogen and oxygen at temperatures and densities typical of fusion reactors

Data needs• In diagnostics for plasma parameters such as temperature and density• In plasma modelling• Special focus on processes including rotational and vibrational states of

molecules• Fine structure energy levels of molecules

First RCM 18-20 November 2009

Period 2009-2013

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ParticipantsPierre DEFRANCE Université Catholique de Louvain, Louvain-la-Neuve, BelgiumDmitry FURSA Curtin University of Technology, Perth, AustraliaRatko JANEV Macedonian Academy of Sciences and Arts, Skopje, MacedoniaLuis MENDEZ Universidad Autónoma de Madrid, Madrid, SpainJames MITCHELL Université de Rennes I, Rennes, FranceMichael PINDZOLA Auburn University, AL, USADave SCHULTZ Oak Ridge National Laboratory, TN, USAHidekazu TAKAGI Kitasato University, Sagamihara, JapanJianguo WANG Institute of Applied Physics and Computational Mathematics,

Beijing, ChinaBaoren WEI Fudan University, Shangai, China

ObserverSteve Lisgo ITER, Cadarache, France

CRP on Light Element Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions

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Ending CRPs

2005-2009Atomic and molecular data for plasma modelling

2005-2009Atomic data for high Z element impurities in fusion reactors

2001-2006Tritium inventory in fusion machine

DurationTitle

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CRP on A + M Data for Plasma Modelling

Overall objectiveGathering 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 energiesfrom various sources for hydrides(with isotopes) and hydrocarbons.• Surface interactions, such as stickingand generation of hydride species

Outputs and outcomes• New generated data• Data used in the EIRENE code• APID in preparation

Final RCM, 17-19 November 2008Period 2005-2009

TEXTORT.Supra

Now 2015-2025 2025 ...

The vision of plasma modelling (Reiter?)

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CRP on A + M Data for Plasma Modelling

Jonathan TennysonDept. of Physics & Astronomy,University College London, UK

Stefan MatejcikComenius University,Bratislava, Slovak Republic

Bas BraamsEmory University,Atlanta, USA

Mineo KimuraKyushu University,Kyushu, Japan

Dave SchultzORNL,Oak Ridge, USA

Mario CapitelliUniversita di Bari,Bari, ITALY

Mats LarssonStockholm University,

Stockholm, SwedenUrsel Fantz

Universität Augsburg,Augsburg, Germany

Khaled HassouniUniversité Paris XIII,Villetaneuse, France

Dzenek HermannV. Cermak Laboratory,

Prague, Czech RepublicDetlev Reiter

Institut für Plasmaphysik,Jülich, Germany

Hiroshi TanakaFaculty of Sciences and Technology,Sophia University, Japan

B. McLaughlinQueen's University of Belfast,Belfast, UK

Ratko JanevMacedonian Academy of Science and Art Skopie, Macedonia

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CRP on Atomic Data for High Z elements impurities in Fusion Reactors

Overall objectiveTwo 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:• Electronic collision: excitation, ionisation, recombination including DR• Heavy particle collisions: charge exchange and excitation (thermal and beam)• Radiative data: transition probabilities, transition energies and energy levels,

ranging from IR to X-rays

Outputs• New data used in CR models and to be included in ALADDIN• APID in preparation

Final RCM on 4-6 March 2009Period 2005-2009

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CRP on Atomic Data for High Z elements impurities in Fusion Reactors

M. Trzhaskovskaya St. Petersburg Nuclear Physics Inst., St. Peterburg, RussiaV. Nikulin Ioffe Physical Tehcnical Institute, St. Petersburg, RussiaA. MüllerJustus-Liebig-Universität, Giessen, GermanyA. Den HartogUniversity of Wisconsin, USAM. O’MullaneEFD/JET Facility, Abingdon, UKLuo ZhengmingSichuan University, ChinaW. L. WieseNIST, Gaithersburg, USAH. ZhangLANL, Los Alamos, USAT. KatoNIFS, Toki, JapanM. Cornille Observatoire de Paris, Meudon, FranceD. Fursa Murdoch University, Perth, AustraliaK. Katsonis Université de Paris XI, Orsay, France

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CRP on Tritium Inventory in Fusion Reactors

• 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.

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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CRP on Tritium Inventory in Fusion Reactors

T. Tanabe Nagoya, JapanA.A. Haasz Toronto, CanadaV.Kh. Alimov Moscow, RussiaA. Pisarev Moscow, RussiaR.A. Causey Livermore, USAR. Doerner San Diego, USA

C.H. Skinner New Jersey, USAJ.P. Coad Culham, Oxon, UKS. Artemov Tashkent, UzbekistanN. Bekris Karlsruhe, GermanyJ. Roth Garching, Germany

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Workshop on A+M Data for fusion Energy ResearchTrieste, 20-30 April 2009

Purpose

To train potential new researchers in fusion energy in the basics of atomic, molecular and plasma-material interaction data.

25 students from10 IAEA member states

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Workshop on A+M Data for fusion Energy ResearchTrieste, 20-20 April 2009

Next workshop in 2012

8 lectures

• Calculation of Atomic Data for Plasma Modeling• Heavy Particle Collision Processes• The Use of Atomic Data in Collisional-Radiative Modelling• Molecular Processes in Plasmas • Plasma-Wall Interaction in Magnetic Fusion• Plasma Surface Interaction and Edge Physics• Codeposition and Plasma Interaction with Codeposited/Mixed Materials • AM/PSI Web Databases and Data Exchange

http://www-amdis.iaea.org/ICTP2009

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IAEA International Workshop onChallenges in Plasma Spectroscopy for Future Fusion Research Machines

Joint International workshop• Birla Institute of Technology (BIT)• Plasma Science Society of India (PSSI)• International Atomic Energy Agency(IAEA)

20-22 February 2008, Jaipur, India

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IAEA International Workshop onChallenges in Plasma Spectroscopy for Future Fusion Research Machines

• Simulation and modelling for interpretation of spectra • Collisional-radiative and impurity transport modeling • Generation of new Atomic and Molecular data relevant to fusion research

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

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OPEN-ADAS

ADAS is an interconnected set of computer codes and data collectionsfor modelling:• Radiating properties of ions and atoms in plasmas• Analysis and interpretation of spectral measurements

Database scope: data for fusion and astrophysical application

OPEN-ADAS is a free web access to ADAS data• Presentation of Alan Whiteford to this meeting

ADAS as a new DCN member

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Calculations

XenonCross sections for Xe I to VII, using the LANL codes

• Excitation and ionization cross sections by electron impact• Photoionization cross sections• Autoionization cross section

Tungsten• 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 are extended to lower ionization states

Data are available through the IAEA web interface to the Los Alamos Atomic Physics Codes.

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New computing Developments

Web• Numerical database Aladdin• Bibliographic database AMBDAS• Web search engine GENIE• Tools for cross section calculations

XSAMS: XML schema for A+M/PSI Data• Presentation of Yuri

CCN: Code Centre Network• Presentation of Bob

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ALADDINhttp://www-amdis.iaea.org/ALADDIN

• Online version 3.2, July 2009• Similar interface for both databases: “Atomic and Molecular Collisions” and

“Particle-Surface interactions”• More friendly interface• Unit conversion

• Specifications for version 3.2• A+M Collisions: Predrag Krstic and Yuri Ralchenko, August 2005• PSI: Predrag Krstic, Fred Meyer, Denis Humbert, June 2007

• Outcomes• Correction of a significant amount of data• Improvement in the data structure• New interface, more friendly with no more hierarchical level

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GENIEhttp://www-amdis.iaea.org/GENIE

Web search engine for atomic dataversion 2.3, September 2007

• Radiative properties – search on 8 databases

• Collisional databases – search on 4 databases

• No major upgrade

• Link to OPEN-ADAS

• Extension to more processes, molecular data and link to bibliographical data

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Web calculation tools

IAEA• Cross sections of bare nuclei on hydrogenic ions

http://www-amdis.iaea.org/HEAVY/New process : ionization, Pablo Fainstein and Alain Dubois

• Average approximation for electron impact excitation of atomic ionshttp://www-amdis.iaea.org/AVERAGE/

• 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• A new 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)• Authorized users (userid + password) can run longer calculations• Available sets of computed data

http://aphysics2.lanl.gov/tempweb/lanl/newindex.html

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XSAMS: XML Schema for A+M/PSI Data

Initiated in 2003 during the DCN meeting

Working groupDave Schultz, Yuri Ralchenko, Denis Humbert (DCN)M.-L. Dubernay (Université Pierre et Marie Curie, France)Evelyne Roueff (Observatoire de Paris, France)Peter Loboda, Sergei Gagarin (VNIITF, Russia)Bob Clark (University of Austin, USA)

Meetings twice a year

Presentation of Yuri

Release of version 0.1, this September

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Code Centre Network

Joint effort to gather and provide access to any information relevant for modellers in fusion plasma science

PurposeTo provide solutions to anyone willing AM/PSI data which can not be easily accessed on the web or which simply do not exist.

Tools• Online computing• Downloadable codes• Direct contacts with the

CCN for any expertise

DAFFDiscussion/distribution mailing list

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Publications

International Bulletin on Atomic and Molecular Data for Fusion• Published once a year• Last editions

• Volume 67, December 2008• Volume 68 in preparation

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”• Volume 16:

• CRP on “Atomic and Molecular Data for Plasma Modelling”• CRP on “Atomic Data For Heavy Element Impurities in Fusion Reactors

• Published editions• Volume 13: CRP on “Atomic Data for Plasma Diagnostics”• Volume 14: CRP on “Data for Molecular Processes in Edge Plasmas”

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Agenda year 2009-2010

CRPs• First RCM on “Light Element Atom, Molecule and Radical Behaviour in Edge

and Divertor Regions”, 18-20 November 2009• New CRP on Tungsten to be initiated in 2010• If possible, new CRP on “data for the diagnosis of the isotopes of hydrogen

and light fusion products in the core of a burning plasma” to be initiated in 2010-2011

XSAMS• Consultant meeting on 10-11 September 2009• Release of XSAMS version 0.1, September 2009

Staff issues• Denis’ end of contract, 29 September 2009• Hyun arrival, 1 October 2009

DCN Meeting, October 2010 ?

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Long Life to the AM Data Unit!