New ALADDIN Web Interface for Particle Surface Interactions: Data Structure and Data Exchange Issues

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New ALADDIN Web Interface for Particle Surface
Interactions Data Structure and Data Exchange
Issues

• D. Humbert, R.E.H. Clark
• Atomic and Molecular Data Unit
• IAEA, Vienna
• Second RCM on Data for Surface Composition
  Dynamics
• Relevant to Erosion Processes
• Vienna, 11-13 March 2009

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ALADDIN web interfaceversion 3.x

• Two databases with 2 similar interfaces
• Atomic and molecular collisions
• Particle surface interactions
• Collisions on line in July 2006
• Specifications reviewed for PSI
• P. Krstic, F. Meyer, D. Humbert
• First RCM of CRP on Erosion (processes, output
  quantities)
• New data from Eckstein
• Migration of data version 2.3 to 3.1
• Test version http//www-amdis.iaea.org/AL1

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ALADDIN Database Structure

• Reaction
• Process and Category of processes
• 1 Reactant Stoichiometric formula, mass number,
  ionisation state and excitation state
• 1 Surface
• 1 to 2 products
• Numerical data data type, threshold, units,
  accuracy
• Bibliographic source information

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Processes and Category of Processes

• Deposition / Diffusion
• Trapping / Detrapping
• Implantation
• Sticking
• Adsorption / Desorption
• Diffusion
• Penetration

• Reflection
• Reflection
• Elastic reflection
• Inelastic reflection
• Sputtering Reflection

• Erosion / Sputtering
• Sputtering, Physical sputtering,
  Chemical sputtering
• Sputtering Reflection
• Chemical etching
• Large particle emission (flakes, droplets,
  clusters)
• Atomic and molecular re-emission
• Thermal sublimation
• Radiation enhanced sublimation

• AM Processes at Surface
• Charge transfer
• Dissociation
• Association
• Excitation
• Ionization / Neutralization
• Electron detachment / Attachment

• Electron Impact / Electron Emission
• Electron impact processes
• Ion induced electron emission
• Secondary electron emission
• Re-emission of electrons
• Photon induced and assisted processes

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Processes

• ALADDIN has the same structure as recommended by
  the participants of this CRP.
• Should be mentioned
• The web interface lists only the processes
  present in the database
• Deposition / Diffusion Trapping /
  Detrapping
• Erosion / Sputtering split into two different
  entries
• Questions
• Radiation Enhanced Sublimation
  Erosion and Sputtering?
• Penetration Trapping, Diffusion?
• New category Neutron irradiated surfaces?
• Atom, molecule re-emission also a reflection?
• http//www-amdis.iaea.org/AL1

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Synergetic Processes 2 reactants, 1 target

• Bibliographic source
• IAEA-APID-7A, Reaction 4.3.2.1
• Original source J. W. Davis and A. A. Haasz,
  Appl. Phys. Lett. 57, 1976 (1990)
• C, H graphite(HPG99) ? C
• Chemical erosion yield due to C ions in the
  presence of H atoms
• C beam produced by mass-selecting ion
  accelerator, C 3.5 1023 C/cm2/s
• H produced by contact dissociation of H2 on hot
  W filament, C/H flux ratio 0.008
• Specimen graphite (pyrolytic, HPG99)
• Yields for total chemical erosion
• ALADDIN input
• Process Chemical Sputtering
• Reactant C
• Surface
• Name graphite
• Type HP99
• Comment
• Product C
• General comments

C, graphite(HPG99) ? C
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ALADDIN Surface Description

• Surface considered as one layer
• Layer properties
• Name
• Composition
• Main component
• Additional components
• Structure / Type
• Temperature
• Comment

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ALADDIN Surface Description

• Type and Structure
• Database originally designed with one field
  structure
• Structure, roughness, grain, porosity
• Name against Chemical composition
• GRAPHITE
• Name, producer, history
• Type
• Structure
• Orientation
• Dopant

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ALADDIN Surface Examples
H Graphite ? C (Erosion yields vs.
Surface temperature) Surface name
Graphite Structure/Type B4C-B Main component
C Additional components Surface
comments MPG-8 graphite with 100-500mum B4C
film coating General comments H ions
mass-analyzed ion beam. Weight loss
measurements as function of target temperature
(K). E 10 keV H F 2e19 H/m2s. Fluence
3.6e23 H/m2 Original source O. I. Buzhinskiy
et al. J. Nucl. Mater. 175, 262 (1990)

• Samples with history
• Sample not annealed, 3 min. annealed at 1200K
  Sample 5 min. annealed at 2200K
• Two layers
• Sample is redeposited carbon
• MPG-8 graphite with 100-500mum B4C film coating
• C-SiC matrix, Ti doped

D Graphite ? C (Sputtering yields vs.
Surface temperature) Surface name
Graphite Structure/Type C-SiC matrix Main
component C Additional components SiC,
Ti Surface comments C-SiC matrix, Ti
Doped General comments Analytic fit of energy
dependence of sputtering using extended Bohdansky
formula. Fit valid between Emin Eth and Emax
1.0000E03 eV. Threshold energies probably too
high due to chemical erosion. Parameters lambda
Q mu epsilon(eV-1) Eth(eV) Emax(eV)

• H Graphite ? C (Sputtering yields vs.
  Surface temperature)
• Surface name Graphite Structure/Type HPG
• Main component C Additional components
• Surface comments
• Sample not annealed
• 3 min. annealed at 1200K
• Sample 5 min. annealed at 2200K
• General comments
• Preirradiated by 5 keV D2 (fluence 5e17 D/m2)
  at RT.
• Original source
• E. Vietzke, V. Philipps and K. Flaskamp,
• J. Nucl. Mater. 162-164, 898 (1989)

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ALADDIN Surface Examples

• Additional components
• Advanced carbon fibre composite, including
• Si-doped NS31(SEP)
• Boron-doped isotropic graphite, 3-22 wtB
• (GB-series, Toyo Tanso)
• RG-Ti91 titanium-doped graphite (1.7 at Ti)
• Implanted or adsorpted atoms or molecules
• A last one
• TFTR redeposited. D-Content in the redeposited
  carbon estimated by NRA to b2 2e18 D/cm2

D Graphite ? C (Sputtering yields vs.
Surface temperature) Surface name
Graphite Structure/Type POCO-AXF5Q Main
component C Additional components Surface
comments TFTR redeposited D-Content in the
redeposited carbon estimated by NRA to b2 2e18
D/cm2 General comments
H Graphite ? C (Sputtering yields vs.
Surface Temperature) Surface name
Graphite Structure/Type CFC Main component
C Additional components Surface
comments Specimen advanced carbon fibre
composite, including Si-doped NS31(SEP) General
comments E lt 30 eV H, 1.2e18 H/cm2s Original
source H. Grote et al., J. Nucl. Mater. 241-243,
1152 (1997)
H 3 Graphite ? C (Sputtering yields vs.
Surface temperature) Surface name
Graphite Structure/Type HPG Main component
C Additional components B Surface
comments Boron-doped isotropic graphite, 3-22
wtB GB-series, Toyo Tanso General comments
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Output Data
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Summary

• The purpose of the new web interface is to
  provide
• An easy view of the database content
• An easy tool to search and retrieve data
• good data structure
• Data structure may need some improvements
• Only one projectile
• Surface are considered as one layer
• Better surface/layer description
• Adsorpted atoms or molecules
• Test version at http//www-amdis.iaea.org/AL1

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XSAMS a new standard forAM/PSI Data Exchange
based on XML

• XSAMS XML Schema for Atoms, Molecules and Solids
• Technical meetings twice a year
• IAEA, NIST, ORNL, Observatoire de Paris
• Collaboration with VNIITF (Russia), CRAAMD
  (China)? and NIFS (Japan)
• NIST Workshop, May 2007
• Development of DB interfaces
• Spectroscopic data ASD at NIST, SPECTR-W3 at
  VNIITF
• Collisional data ALADDIN at IAEA, BASECOL at
  Observatoire de Paris
• Invied talk at ICAMDATA, 28-31 October 2008,
  Beijing, China
• Schema, version 0.1

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Solid description

• Material
• Single or multi-layered material
• Layer single or mixed material
• Material properties
• Name
• Producer, year of production
• Origin
• Comments
• Layer properties
• Chemical or material name, chemical formula
• Material type CFC, Pyrolytic graphite,
  POCO-AXF5Q
• Composition
• Chemical elements
• Stoichiometric value
• Percentage of species
• Thickness
• Structure (roughness, density, porosity)
• Temperature
• Comment

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IAEA, Vienna International Centre,Atomic and
Molecular Data Unit
http//www-amdis.iaea.org/
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Where and Howwe need your expertise?

• XML Schema
• Solid description
• List of processes
• ALADDIN Interface
• Surface description
• Processes and categories of processes

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ALADDIN Surface Examples

• Sample with history or same sample with different
  treatment
• Sample not annealed, Sample 3 min. annealed at
  1200K, Sample 5 min. annealed at 2200K
• Two layers
• Sample is redeposited carbon
• MPG-8 graphite with 100-500mum B4C film coating
• C-SiC matrix, Ti doped
• Additional components
• Advanced carbon fibre composite, including
  Si-doped NS31(SEP)
• Boron-doped isotropic graphite, 3-22 wtB
  (GB-series, Toyo Tanso)
• RG-Ti91 titanium-doped graphite (1.7 at Ti)
• A last one
• TFTR redeposited. D-Content in the redeposited
  carbon estimated by NRA to b2 2e18 D/cm2

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Surface description