Download - Code Capabilities at IAEA A+M Unit
IAEAInternational Atomic Energy Agency
Code Capabilities at IAEA A+M Unit
B. J. Braams, H.-K. Chung, K. Sheikh
Nuclear Data SectionDivision of Physical and Chemical Sciences
September 2010
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International Atomic Energy Agency (IAEA) http://www.iaea.org/
• Founded in 1957 in Vienna, Austria
• 151 Member States (As of December 2009)
• 6 Departments & 2200 Staff
• assists its Member States, in the context of social and economic goals, in planning for and using nuclear science and technology for various peaceful purposes, including the generation of electricity, and
• facilitates the transfer of such technology and knowledge in a sustainable manner to developing Member States;
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A+M Data Unit
• 5 November 1976 at Culham Laboratory, UK
first meeting of the Joint IFRC/INDC Subcommittee on A+M data for fusion
• IAEA A+M Unit formed Jan-Feb 1977
• Establish and maintain internationally recommended numerical
databases on A+M collision and radiative processes, A+M structure
characteristics, particle-solid surface interaction processes and physico-
chemical and thermo-mechanical material properties for use in fusion
energy research and other plasma science and technology applications
• Review progress and achievements of the IAEA A+M data for fusion
programme and stimulate international cooperation in measurement,
compilation and evaluation of A+M data for fusion
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A+M Data Unit Activities
Data GenerationData Exchange
Data ExchangeData Transfer
Coordinated Research
Projects (CRP)
Meeting Organization
Publications
Data Center Network
Code Center Network
Knowledge Base
Development
Atomic & Molecular Data Unit
IFRCSub-Committee
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Data Generation and Exchange
CRP: Coordinated Research Project Main mechanism by which the AMD Unit encourages new research Unique Opportunity for Comprehensive and Synergistic Collaboration
Joint research on A+M/PMI Data for fusion: Representatives from 10 to 15 institutes world-wide
Duration 3-4 years; 3 Research Coordination Meetings
Objectives: Generation, compilation and evaluation of data
Establishment of databases
Development of new techniques
Outputs: Publications, Meeting Presentations and Reports
Final Reports in “Atomic and Plasma-Material Interaction Data for Fusion” (APID)
Data and Results in ALADDIN Numerical Database and Knowledge Base
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Atomic Molecular Data Information Serviceshttp://www-amdis.iaea.org
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Data Centre Network (DCN)http://www-amdis.iaea.org/DCN
Terms of Reference:
Domain : atomic and molecular (A+M), particle surface interaction (PSI) and bulk material properties (plasma-material interaction - PMI) data for fusion and other applications.
Established Program: Collection, Dissemination, Critical assessment (evaluation) and generation of A+M, PSI (PMI) data
The DCN includes 12 national data centres:ADAS, H. Summers, UK (joined in 2009) CFADC, ORNL, D. R. Schultz, USACRAAMD, Jun Yan, ChinaENEA, G. Mazzitelli, ItalyGAPHYOR, LPGP, K. Katsonis, FranceIAEA, Atomic and Molecular Data Unit, B. J. Braams, AustriaJAEA, T. Nakano, JapanKAERI, Y. Rhee, KoreaKurchatov Institute, Yu. Martynenko, RussiaMax-Planck-Institut fur Plasmaphysik, W. Eckstein, GermanyNIFS, I. Murakami, JapanNIST, W. Wiese, USA
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The 20th DCN Meeting 2009
• All data centres presented progress reports on their activities in A+M data for fusion in the period October 2007 – August 2009 : data compilation, evaluation and generation, web developments, publications
• Observer presentations ITER representative : requirements for modeling ITER and the main new data needs Clark: IAEA Code Centre Network Ralchenko: XSAMS: (XML Schema for AM/PSI Data Exchange)
• The long-term Priorities in A+M and PMI Data Needs for Fusion Energy research were reviewed. (http://www-amdis.iaea.org/DCN/fusion_data.php)
• The importance of data evaluation (accuracy, uncertainties) and traceability was emphasized over and over.
• The DCN supports the development of XSAMS (XML Schema for Atoms, Molecules and Solids) as a reliable and convenient tool for AM/PMI data exchange and many of the data centres are ready to use
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Data Centre Network (DCN) Activitieshttp://www-amdis.iaea.org/DCN
• ALADDIN: Numerical DatabaseData Transfer http://www-amdis.iaea.org/ALADDIN
• AMBDAS:Bibliographic databaseData Transfer http://www-amdis.iaea.org/AMBDAS
• OPEN-ADAS Data Transfer http://open.adas.ac.uk/
• GENIE: Search Engine among DatabasesData Exchange & Transfer http://www-amdis.iaea.org/GENIE
• XSAMS: XML Schema for A+M/PSI DataData Exchange http://www-amdis.iaea.org/xsams
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Code Centre Networkhttp://www-amdis.iaea.org/CCN
Joint effort to gather and provide access to any information relevant for modellers in fusion plasma science
Purpose
To 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
DAFF
Discussion/distribution mailing list
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Code Centre Network Activitieshttp://www-amdis.iaea.org/CCN
• Average Approximation http://www-amdis.iaea.org/AAEXCITE/ J. Peek provided code for electron impact excitation cross sections of ions For any ion and configuration in real time
• Heavy particle collisions http://www-amdis.iaea.org/HEAVY/ A. Dubois, JP Hansen and P. Fainstein provided code for calculation of cross
sections for excitation, ionization and charge exchange for bare nucleus on hydrogenic target
Registration required
• Effective Ionization/Recombination Rates http://www-amdis.iaea.org/RATES/ Results from collisional radiative calculations of plasmas are available, as
carried out with the Los Alamos modeling codes Level population distributions and Radiative Power rates are obtained.
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AMDIS Access Statistics
100
1000
10000
100000
2003 2004 2005 2006 2007 2008 2009 2010
aladdin
ambdas
heavy
average
rates
genie
fantz
xml
home
activity
network
contact
workshop
SUM
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Interface to Remote Online Capabilities
LANL http://www-amdis.iaea.org/LANL/
• An interface to run Los Alamos atomic physics codes to calculate atomic structure and electron impact excitation and ionization cross sections (fine structure levels and configuration average)
• Complete data sets of for Argon, Chlorine and Silicon atoms (~ 2GB) CRP for "Atomic Data For Heavy Element Impurities in Fusion Reactors" Level energies and statistical weights of the ground and excited levels Oscillator strengths and electron-impact excitation cross-sections, photo-ionization
and electron-impact ionization cross-sections
FLYCHK http://www-amdis.iaea.org/FLYCHK/
• An interface to run a Collisional-Radiative code FLYCHK at NIST to calculate ionization distributions and spectral properties of elements from Hydrogen to Gold.
• Average Charge State of elements from Hydrogen to Gold in a wide range of plasma conditions of 0.5 eV ≤ Te ≤ 100 keV and 1012 cm-3 ≤ Ne ≤ 1024cm-3.
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FLYCHK Model : simple, but complete
• Screened hydrogenic energy levels with relativistic corrections
• Relativistic Hartree-Slater oscillator strengths and photoionization cross-sections
• Fitted collisional cross-section to PWB approximation
• Semi-empirical cross-sections for collisional ionization
• Detailed counting of autoionization and electron capture processes
• Continuum lowering (Stewart-Pyatt)
(n) (nl) (nlj) (detailed-term)FLYCHK HULLAC / FAC / MCDF
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FLYCHK radiative loss rates give quick estimates over a wide range of conditions
0
1 x 10-7
2 x 10-7
3 x 10-7
4 x 10-7
1 1.5 2 2.5 3 3.5 4 4.5 5
H:1E16H:1E18H:1E20H:1E22H:1E24F:1E16F:1E18F:1E20F:1E22F:1E24
Te(keV)
Krypton Radiative cooling rates per NeIon HULLAC+DHS FLYCHK
1 3049 45
2 27095 107
3 30078 89
4 404328 140
5 3058002 140
6 5882192 140
7 7808014 140
8 6202123 140
9 5544814 140
10 1050919 131
11 841094 122
sum 30,851,708 1334
Time ~2 days ~mins
# of radiative transitions
Max~30%
Better agreement for higher Ne
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Tungsten Mean Charge State
16th Atomic Processes in Plasmas, Monterey, CAY. Ralchenko, March 26, 2009
The 5th Non-LTE Kinetics Code Comparison Workshop (2007)
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Tungsten Radiative Loss Rates
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Applications to Plasma Research
• Short-pulse laser-produced plasmas Arbitrary electron energy distribution function
Time-dependent ionization processes
K- shifts and broadening: diagnostics
• Long-pulse laser-produced plasmas Average charge states
Spectra from a uniform plasma
Gas bag, Hohlraum (H0), Underdense foam
• Z-pinch plasmas: photoionizing plasmas
• Proton-heated plasmas: warm dense matter
• EBIT: electron beam-produced plasmas
• EUVL: Sn plasma ionization distributions
• TOKAMAK: High-Z impurities
28eV 36eV32eV
SiO2-Ti foam exp
Time-dependent Ti K emissivities
Tin charge state distributions
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Knowledge Base Development http://www-amdis.iaea.org/w
• Background: Limitations of Databases in Data Collection & Dissemination Modeling requires an Extensive Set of Data (LANL data ~ 2GB)
Limited Description on Data sources, Quality and Updated Information
“Lost In Translation” of Comprehensive Knowledge to Numerical Representation (Particularly CRP Results)
Web 2.0 Technology – allows users to interact with each other as contributors to the website's content in contrast to websites where users are limited to the passive viewing of information that is provided to them .
• Organization Use of Wiki pages --- A+M Data Unit in a coordinator role Central location – Direct Data Storage or Link to data sources More information on Data and Applications in a Context Voluntary Content Contribution and Peer Review Closer Community Network Foster collaboration on a focused topic
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Knowledge Base Overview
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Conclusions
IAEA AMD Unit Activities
Coordinated Research Projects (CRP)
Data Centre Network (DCN) Activities
Code Centre Network (CCN) Activities
Knowledge Base for A+M/PSI data for fusion
IAEA AMD Unit:
Unit Head: Bastiaan Johan Braams [email protected]
Atomic Physicist: Hyun-Kyung Chung [email protected]
Database Clerk: Khalid Shiek [email protected]