<div class="csl-bib-body">
<div class="csl-entry">Böhm, D., Schrefl, T., Eder, A., & Eisenmenger-Sittner, C. (2023, May 22). <i>Structure and crystallographic properties of multi-material coatings deposited in a combinatorial sputter plant compared to simulations from the machine level to microstructure</i> [Conference Presentation]. 49th International Conference on Metallurgical Coatings and Thin Films (ICMCTF 2023), San Diego, United States of America (the). http://hdl.handle.net/20.500.12708/190727</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/190727
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dc.description.abstract
Structure and crystallographic properties of multi-material thin films can be described with an interactive ray tracing software that simulates film deposition in arbitrary sputtering geometries, the so-called Virtual Machine (VM). Although based on a line-of-sight model, the VM also takes into account the decay of the flux density of the particles due to gas phase scattering. To further enhance the prediction capabilities of the VM a microstructure simulation package, based on rate equations and on the Potts Modell, was built.
At the machine level the VM recreates a real combinatorial DC-sputter plant from 3D models including the static arrangement of multiple targets, the substrate and eventual obstacles, as well as dynamics like e. g. rotating substrate holders. For the deposition process, individual sample points can be defined on the substrate to which the line-of-sight model is applied, taking kinematics into account. The resulting thickness and sequence of the layers is used to visualize the thickness-resolved composition. Post-processing the time dependent thickness and temperature data the crystallographic phases with their associated XRD patterns are calculated from a library of binary phase diagrams for the simulated film.
Applying the rate-equation model to a generated layer architecture the microstructure can be calculated. First it is decided whether Frank-van-der-Merwe (continuous layer) or Volmer-Weber growth (island layer) occurs. The distribution of islands follows a thermodynamic equilibrium approach, which considers the process of island formation while minimizing the free energy of the island surface. The crystallite structure of the matrix material surrounding the islands is calculated by a spatially scaled Potts Modell. The Monte Carlo simulator is initialized with a crystallite structure generated using the Voronoi construction of the crystallite density determined from empirical data using rate equations.
Since volume diffusion is not yet considered, only immiscible multilayer systems can be investigated at present. On the basis of examples, the above-mentioned comparisons are presented.
en
dc.description.sponsorship
European Commission
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dc.language.iso
en
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dc.subject
thin film multilayer coating
en
dc.subject
materials design
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dc.subject
sputtering
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dc.subject
kinetic monte carlo simulation
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dc.subject
simulated thin film growth
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dc.subject
visualization algorithms
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dc.subject
microstructure prediction
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dc.title
Structure and crystallographic properties of multi-material coatings deposited in a combinatorial sputter plant compared to simulations from the machine level to microstructure
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dc.type
Presentation
en
dc.type
Vortrag
de
dc.contributor.affiliation
Danube Private University, Austria
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dc.contributor.affiliation
Miba (Austria), Austria
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dc.relation.grantno
785414
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dc.type.category
Conference Presentation
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tuw.publication.invited
invited
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tuw.project.title
HIgh PERformance Journal Bearing Technology for new geared TurboFAN generations
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tuw.researchTopic.id
M7
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tuw.researchTopic.id
C6
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tuw.researchTopic.id
M8
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tuw.researchTopic.name
Special and Engineering Materials
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tuw.researchTopic.name
Modeling and Simulation
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tuw.researchTopic.name
Structure-Property Relationsship
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tuw.researchTopic.value
30
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tuw.researchTopic.value
50
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tuw.researchTopic.value
20
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tuw.publication.orgunit
E138-03 - Forschungsbereich Functional and Magnetic Materials
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tuw.author.orcid
0000-0002-7096-6092
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tuw.event.name
49th International Conference on Metallurgical Coatings and Thin Films (ICMCTF 2023)
en
tuw.event.startdate
21-05-2023
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tuw.event.enddate
26-05-2023
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tuw.event.online
On Site
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tuw.event.type
Event for scientific audience
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tuw.event.place
San Diego
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tuw.event.country
US
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tuw.event.presenter
Eisenmenger-Sittner, Christoph
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1030
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wb.sciencebranch.value
100
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item.languageiso639-1
en
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item.openairetype
conference paper not in proceedings
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item.grantfulltext
none
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item.fulltext
no Fulltext
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item.cerifentitytype
Publications
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item.openairecristype
http://purl.org/coar/resource_type/c_18cp
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crisitem.author.dept
E138-03 - Forschungsbereich Functional and Magnetic Materials
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crisitem.author.dept
E138 - Institut für Festkörperphysik
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crisitem.author.dept
E138 - Institut für Festkörperphysik
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crisitem.author.dept
E138-03 - Forschungsbereich Functional and Magnetic Materials
