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Dynamic Modeling for the Design and Cyclic Operation of an Atomic Layer Deposition (ALD) Reactor
Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, MD 20742, USA
* Author to whom correspondence should be addressed.
Received: 8 June 2013; in revised form: 2 August 2013 / Accepted: 7 August 2013 / Published: 19 August 2013
Abstract: A laboratory-scale atomic layer deposition (ALD) reactor system model is derived for alumina deposition using trimethylaluminum and water as precursors. Model components describing the precursor thermophysical properties, reactor-scale gas-phase dynamics and surface reaction kinetics derived from absolute reaction rate theory are integrated to simulate the complete reactor system. Limit-cycle solutions defining continuous cyclic ALD reactor operation are computed with a fixed point algorithm based on collocation discretization in time, resulting in an unambiguous definition of film growth-per-cycle (gpc). A key finding of this study is that unintended chemical vapor deposition conditions can mask regions of operation that would otherwise correspond to ideal saturating ALD operation. The use of the simulator for assisting in process design decisions is presented.
Keywords: atomic layer deposition; ALD; alumina; heterogeneous reaction kinetics; reaction mechanism; transition state theory; limit-cycle; reactor dynamics; time discretization; growth-per-cycle
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MDPI and ACS Style
Travis, C.D.; Adomaitis, R.A. Dynamic Modeling for the Design and Cyclic Operation of an Atomic Layer Deposition (ALD) Reactor. Processes 2013, 1, 128-152.
Travis CD, Adomaitis RA. Dynamic Modeling for the Design and Cyclic Operation of an Atomic Layer Deposition (ALD) Reactor. Processes. 2013; 1(2):128-152.
Travis, Curtisha D.; Adomaitis, Raymond A. 2013. "Dynamic Modeling for the Design and Cyclic Operation of an Atomic Layer Deposition (ALD) Reactor." Processes 1, no. 2: 128-152.