A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Advanced Physical Vapor Deposition (PVD) techniques are available that produce thin-film coatings with adaptive nano-structure and nano-chemistry. However, such components are manufactured through trial-and-error methods or in repeated small increments due to a lack of adequate knowledge of the underlying physics. Successful computational modeling of PVD technologies would allow coatings to be designed before fabrication, substantially improving manufacturing potential and efficiency. Previous PVD modeling efforts have utilized three different physical models depending on the expected manufacturing pressure: continuum mechanics for high pressure flows, Direct Simulation Monte Carlo (DSMC) modeling for intermediate pressure flows or free-molecular (FM) dynamics for low pressure flows. However, preliminary calculations of the evaporation process have shown that a multi-physics fluidic solver that includes all three models may be required to accurately simulate PVD coating processes. This is due to the high vacuum and intermolecular forces present in vapor metals which cause a dense continuum region to form immediately after evaporation and expands to a rarefied region before depositing on the target surface. This paper seeks to understand the effect flow regime selection has on the predicted deposition profile of PVD processes. The model is based on experiments performed at the Electron-Beam PVD (EB-PVD) laboratory at the Applied Research Lab at Penn State. CFD, DSMC and FM models are separately used to simulate a coating process and the deposition profiles are compared. The mass deposition rates and overall flow fields of each model are compared to determine if the underlying physics significantly alter the predicted coating profile. Conclusions are drawn on the appropriate selection of fluid physics for future PVD simulations.

Original languageEnglish (US)
Title of host publicationAdvanced Manufacturing
PublisherAmerican Society of Mechanical Engineers (ASME)
ISBN (Print)9780791856185
DOIs
StatePublished - Jan 1 2013
EventASME 2013 International Mechanical Engineering Congress and Exposition, IMECE 2013 - San Diego, CA, United States
Duration: Nov 15 2013Nov 21 2013

Publication series

NameASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)
Volume2 A

Other

OtherASME 2013 International Mechanical Engineering Congress and Exposition, IMECE 2013
CountryUnited States
CitySan Diego, CA
Period11/15/1311/21/13

Fingerprint

Molecular modeling
Physical vapor deposition
Coatings
Physics
Evaporation
Continuum mechanics
Fluidics
Monte Carlo simulation
Deposition rates
Molecular dynamics
Electron beams
Flow fields
Computational fluid dynamics
Vapors
Vacuum
Fabrication
Thin films
Fluids
Metals

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering

Cite this

Gott, K., Kulkarni, A. K., & Singh, J. (2013). A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition. In Advanced Manufacturing (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE); Vol. 2 A). American Society of Mechanical Engineers (ASME). https://doi.org/10.1115/IMECE2013-66433
Gott, Kevin ; Kulkarni, Anil Kamalakant ; Singh, Jogender. / A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition. Advanced Manufacturing. American Society of Mechanical Engineers (ASME), 2013. (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)).
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Gott, K, Kulkarni, AK & Singh, J 2013, A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition. in Advanced Manufacturing. ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE), vol. 2 A, American Society of Mechanical Engineers (ASME), ASME 2013 International Mechanical Engineering Congress and Exposition, IMECE 2013, San Diego, CA, United States, 11/15/13. https://doi.org/10.1115/IMECE2013-66433

A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition. / Gott, Kevin; Kulkarni, Anil Kamalakant; Singh, Jogender.

Advanced Manufacturing. American Society of Mechanical Engineers (ASME), 2013. (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE); Vol. 2 A).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Gott K, Kulkarni AK, Singh J. A comparison of continuum, DSMC and free molecular modeling techniques for physical vapor deposition. In Advanced Manufacturing. American Society of Mechanical Engineers (ASME). 2013. (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)). https://doi.org/10.1115/IMECE2013-66433