Multiscale modeling in chemical vapor deposition processes: Coupling reactor scale with feature scale computations

Cheimarios, N; Kokkoris, G; Boudouvis, AG

dc.contributor.author	Cheimarios, N	en
dc.contributor.author	Kokkoris, G	en
dc.contributor.author	Boudouvis, AG	en
dc.date.accessioned	2014-03-01T01:33:48Z
dc.date.available	2014-03-01T01:33:48Z
dc.date.issued	2010	en
dc.identifier.issn	0009-2509	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/20604
dc.subject	Chemical reactors	en
dc.subject	Computational fluid dynamics	en
dc.subject	Level set method	en
dc.subject	Mathematical modeling	en
dc.subject	Microstructure	en
dc.subject	Simulation	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Arrhenius expressions	en
dc.subject.other	Axisymmetric	en
dc.subject.other	Ballistic model	en
dc.subject.other	Chemical vapor deposition process	en
dc.subject.other	Commercial packages	en
dc.subject.other	Computational domains	en
dc.subject.other	Deposition time	en
dc.subject.other	Length scale	en
dc.subject.other	Level Set method	en
dc.subject.other	Macro scale	en
dc.subject.other	Mathematical modeling	en
dc.subject.other	Micro topography	en
dc.subject.other	Micro-scales	en
dc.subject.other	Multi-scale Modeling	en
dc.subject.other	Preexponential factor	en
dc.subject.other	Profile evolution	en
dc.subject.other	Scale models	en
dc.subject.other	Species consumption	en
dc.subject.other	Tungsten deposition	en
dc.subject.other	Wafer surface	en
dc.subject.other	Biology	en
dc.subject.other	Chemical reactors	en
dc.subject.other	Chemical vapor deposition	en
dc.subject.other	Chemicals	en
dc.subject.other	Computational fluid dynamics	en
dc.subject.other	Computational methods	en
dc.subject.other	Computer simulation	en
dc.subject.other	Drop breakup	en
dc.subject.other	Evolutionary algorithms	en
dc.subject.other	Fluid dynamics	en
dc.subject.other	Level measurement	en
dc.subject.other	Microstructure	en
dc.subject.other	Surface reactions	en
dc.subject.other	Surface topography	en
dc.subject.other	Topography	en
dc.subject.other	Tungsten	en
dc.subject.other	Coupled circuits	en
dc.title	Multiscale modeling in chemical vapor deposition processes: Coupling reactor scale with feature scale computations	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.ces.2010.06.004	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.ces.2010.06.004	en
heal.language	English	en
heal.publicationDate	2010	en
heal.abstract	A methodology for coupling multiple length scales in chemical vapor deposition processes is presented. A reactor scale model (RSM), used for the description of the macro-scale in the bulk, is coupled with a feature scale model (FSM), used for the description of the topography evolution of the micro-scale features(e.g. trenches or holes) on the wafer. The RSM is implemented with a commercial package and the FSM is implemented by combining a ballistic model for the transport and a profile evolution algorithm based on the level set method. The coupling of the RSM with the FSM is performed through the correction of the boundary condition for the species consumption along the wafer. Essentially, the pre-exponential factor of the Arrhenius expression for the surface reaction (s) is locally corrected along the wafer and this correction allows taking into account the micro-topography on the wafer without including it in the computational domain of the RSM. The coupling methodology implements flow of information in both directions, i.e. from the RSM to the FSM and backwards. Tungsten deposition from tungsten hexafluoride and hydrogen is the case studied. The reactor is axisymmetric and the wafer includes a series of trenches with dimensions at the micro-scale. The effect of the deposition time and the density (number) of trenches on the wafer on (a) the species consumption on the wafer and (b) the trench profile evolution is investigated. The loading phenomenon, i.e. the depletion of reactants due to their increased consumption on the micro-topography on the wafer surface is predicted. The importance of the feedback from the micro-scale (to the macro-scale) is demonstrated by comparing trench profiles produced with and without feedback. (C) 2010 Elsevier Ltd. All rights reserved.	en
heal.publisher	PERGAMON-ELSEVIER SCIENCE LTD	en
heal.journalName	Chemical Engineering Science	en
dc.identifier.doi	10.1016/j.ces.2010.06.004	en
dc.identifier.isi	ISI:000280667400009	en
dc.identifier.volume	65	en
dc.identifier.issue	17	en
dc.identifier.spage	5018	en
dc.identifier.epage	5028	en