VIRTUAL ATOMIC AND MOLECULAR DATA CENTREand the role of atomic and molecular

data in plasma research

Tatiana Ryabchikova

Institute of Astronomy RAS

and VAMDC team

Interdisciplinary Workshop on PLASMA PHYSICSMadrid, June 6 – 7 2011

OUTLINE

My talk:

Atomic and molecular data in plasma research

Examples of existing atomic DB's

Virtual A&M Data Center

Tungsten (wolfram – W) has been a material of interest for use in tokamaks since these machines were first proposed as a source of fusion energy. Tungsten was often used as an aperture limiter in early tokamaks. The decision to use tungsten as a plasma facing material in ITER (International Thermonuclear Experimental Reactor) tokamak divertor region stimulated renewed interest in the properties of W (see Skinner C.H. Atomic physics in the quest for fusion energy and ITER - Phys.Scripta T, 2009, v.134, 014022). Tungsten plasma facing components have the necessary low erosion rates and low tritium retention but the high radiative efficiency of tungsten ions leads to stringent restrictions on the concentration of tungsten ions in the burning plasma. The influx of tungsten to the burning plasma will need to be diagnosed, understood and stringently controlled.The temperature of ITER's plasma core is expected to achieve values up to 30 keV, whereas the divertor plasma will have an electron temperature in the range 0.1 - 100 eV. Therefore, tungsten spectra are expected from neutral atom up to hydrogen - like ions. Many laboratories have been involved in investigations of its spectra and now W is one of the most studied elements. Also, inert gases such as argon and xenon will be used to dissipate the heat flux flowing to the divertor.

Tungsten was first isolated from the mineral wolframite inSpain in 1783. The discoverers, brothers Juan José and Fausto de Elhuyar y de Zubice, are pictured on the special stamp issued by Spain in 1983.

FUSION

ASTROPHYSICS Opacity calculations and energy distribution Spectral synthesis and abundance analysis

Cosmochronology: (Th/Eu) abundance ratio is used to derive an age of the stars on early stages of the Galaxy evolution from the comparison of the current ratio to that predicted by the r-process theory

The origin of the chemical elements,Chemical evolution of the galaxy,Star formation, Interstellar medium, ......

LIGHTING INDUSTRYA renewed interest in the rare earth elements has stemmed from two rather disparate sources: lighting R&D applications and stellar analyses. With regard to the former, rare earths are included in the composition of modern metal-halide high-intensity-discharge (MH-HID) lamps as halide salts. Such salts have higher vapour pressures and are less chemically aggressive than pure metals. The salt molecules dissociate and radiate as free atoms and ions in the arc core of the lamp. Open f-shells of rare earth atoms and ions yield high densities of low even- and odd-parity levels and extraordinarily rich spectra in the visible.The resulting MH-HID lamps have excellent colour rendering indices (CRIs) and high luminous efficacy. Spectroscopic data are needed to diagnose and model MH-HID lamps in further development efforts.

Currently in development, electrodeless MH-HID lamps with Ce-doses are likely to achieve luminous efficacies of 200 lpw and lifetimes of 100 000 h. Electrode power ∼ ∼losses and failure mechanisms are absent in electrodeless lamps.

Wickliffe & Lawler. JOSA B, 14. 737, 1997 – 376 Tm I lines Lawler et al. J.Phys. B, 43, 085701, 2010 - 2874 Ce I lines (~20000 with intensities)Lawler et al. J.Phys. B, 43, 235001, 2010 - 562 Er I lines

VALD contains ~5000 lines of the neutral REE

The region around 6.7 nm could be a candidate wavelength region for next generations of photolithography. It is defined by availability of reflective mirror for this region based on B4C/La multilayer reflectors . Theoretical estimates and previous experimental data suggest that Gd and Tb can be used as a fuel in radiation sources for such lithography.

A comparison between the observed spectrum of Tb (upper curve) and calculated Tb XVIII-XXII is shown.

Taken from A. Ryabtsev 'Spectroscopy of Ionized Atoms for Nanotechnology', presented in ICAMDATA-2010 (Vilnius)

NANOTECHNOLOGY

> 450000 recordsCurrently: 68500 visits since November 2, 2002

(~20 visits/day)

included in the family of special-purpose atomic databases on the Web ( @ plasma-gate.weizmann.ac.il)

integrated into the IAEA General Internet Search Engine for Atomic Data GENIE (www-amdis.iaea.org/GENIE)

+ fully functional variant of the Spectr-W3 atomic database for the off-line use on PCs under Windows (new version will soon be available for downloading from the Spectr-W3 homepage).

WP4

Atomic database Spectr-W3 for plasma spectroscopy and other applications

Spectr-W3 database

Factual experimental, theoretical, and compiled data on ionization potentials, energy levels, wavelengths, radiative transition probabilities and oscillator strengths, statistical weights, radiative & autoionization widths, satellite

intensity factors Qd,& also

fitting parameters and formulae to analytically approximate collisional cross-sections and electron transition rates in atoms and ions (optional)

in free atoms & ions, references to the original sources comments on the methods of the data acquisition, … etc, where

necessary and available

http://spectr-w3.snz.ru/index.phtml

http://www.chiantidatabase.org/

Vienna Atomic Line Database

Over 150 line lists, 1.1 million atomic lines for detailed spectral analysis and over 50 million lines for opacity calculations (predicted lines) provided by all major spectroscopy centers across the world

Mirror sites in Vienna, Uppsala and Moscow

Over 1400 officially registered users from more than 50 countries, in average 30 requests processed per day

http://vald.inasan.ru/~vald/php/vald.php

VALD3 – THE NEW VALD Data is sorted in wavelengths and stored in a special compressed format Stored data include:

Species, wavelengths (Å, vac), level energies (cm-1) and angular momentum, loggf, Landé-factors, damping constants, accuracy in loggf, data reference, full level designation and term name

Publishing new dataset in VALD means adding a new data file Data description is stored in various support files (list of species, configuration file) Configuration file stores ranks for every field in each file

VALD3 – THE NEW VALD New Kurucz calculations (2006-2010) for Fe-peak elements Model-based selection

For a set P-T-[abundance] VALD3 solves the equation of state and estimates the contribution to opacities

If a sequence of P-T is available (e.g. model atmosphere) VALD3 will solve the radiative transfer to get line strength

http://www.chiantidatabase.org/

VALD

http://stark-b.obspm.fr/index.php/home

IDEA BEHIND

Many databases are carrying atomic and molecular data, and all of them has deficiences:

Variety of data, formats, uncompleteness etc.

Specialized extraction tools

Often, data duplication

Many different user interfaces

Solution is a virtual infrastructure to provide a single and flexible

access to many data bases with: Unified UI

Unified data formatFull DB functionalityFlexibility and interoperabilityPublishing tools for data producers

WHAT IS VAMDC?

Virtual Atomic and Molecular Data Centre (VAMDC) is an international project aimed to create well documented interoperable interface to the differently organised existing Atomic and Molecular databases.

VAMDC consortium involves 15 administrative partners representing 24 teams from 6 European Union member states (France, Austria, Germany, Italy, Sweden, United Kingdom), Serbia, the Russian Federation and Venezuela. The project leader institution is CNRS (France), and the project coordinator is Marie-Lise Dubernet (marie-lise.dubernet-tuckey@upmc.fr)

VAMDC is funded under 'Combination of the Collaborative Projects and Coordination and Support Actions' funding scheme of the Seventh Framework Program of EU. Call topic: INFRA-2008-1.2.2 Scientific Data Infrastructure. Grant Agreement number: 239108

At present VAMDC project includes 22 A&M DBs such asVALD, CHIANTI, CDMS, BASECOL, UMIST, PAH, HITRAN, StarkB, TOPbase, TIPbase, W@DIS , SPECTR-W3, XstarDB, etc.

Detailed description of VAMDC is given by Dubernet et al. JQSRT 111, 2151, 2010

Web-address is http://www.vamdc.eu/

06/21/10 XSAMS Meeting, NIFS, March 2010, ML Dubernet

VAMDC COMPONENTS

“Grand Central” in Paris

Web-based transport protocol

Interface(s) to DBs

User interface

Automatic interface (e.g. to VO)

Data publishing tools

GRAND CENTRAL

Registries

Query parsing

Query forwarding

Data collection

Grid access

Accounting

Service reliability

Data preservation

WEB-BASED TRANSPORT PROTOCOL

The transport protocol handles:DB queries for status and data content (registry

update)Query/data transfer between user and Grand CentralQuery/data transfer between a DB and Grand Central

The transport protocol is:Self-descriptive (XML description of what is sent

including units, formats etc. - XSAMS format)Should be efficient for large data sets (compressed

binary tables?)

INTERFACE TO DB

Fully compatible with the VAMDC transport on the outsideTuned to specific DB on the inside:

converting incoming queries to the internal query format

converting the DB extraction to the transport- compatible formatCapable of responding to VAMDC-specific queries (registry update)Capable of collecting the accounting information

The official internal language for data description in VAMDC is XSAMS - International Atomic Energy Agency’s XML Schema for Atomic, Molecular and Solid Data .

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

XSAMS is modified by VAMDC WP6 working group and this modified schema is the working data model for VAMDC consorcium under the name XSAMS-VAMDC

VAMDC DATA MODEL

One place for getting data for opacity calculations for stellar interiors (107 K) and proto-planetary disks (100 K)

Most complete data source Real-time response Self-descriptive data format, easily

convertible to all thinkable table formats Reliability

VAMDC FOR ASTROPHYSICS

http://apm37.ast.cam.ac.uk:9080/vamdc-portal-level2/home.seam

USER'S PORTAL (beta-version)

Everybody is welcome to test

the beta-version of the User Interface

THANK YOU