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DOE OSTI · 2978639

CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System

Yuan, Yuchen·Ping, Huihui·Lee, Dennis T.·Corkery, Peter·Zhang, Zhen·Liu, Cui·Xue, Shuang-mei·Zhuang, Liwei·Tsapatsis, Michael
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Abstract

The effective operation of atomic layer deposition (ALD) feeding system is the premise of realizing specific ALD processes. In the present work, a detailed computational fluid dynamics (CFD) model of the feeding system has been developed and validated, which accounts for the roles of ALD valves and manifolds. A numerical simulation of the compressible fluid flow and heat/mass transfer within the feeding system was conducted. The dosing amounts and the spatiotemporal distributions of the precursors can be accurately predicted using the CFD model, as validated by experimental results. Different precursors, operating conditions, and structures of the feeding system were simulated and analyzed to examine the operating flexibility of the feeding system. The simulation results can be adopted as the upstream boundary conditions for simulations of the ALD process in the reaction chamber. The substrate-scale simulation indicates that the effect of the feeding system on the film deposition is highly related to the surface kinetics of ALD. The present work can serve as a guide for the development and optimization of different ALD-based processes via proper operation and even the design of the feeding system.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYAtomic layer depositionBiochemistryDepositionPrecursorsVapor pressure

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Yuan, Yuchen, Ping, Huihui, Lee, Dennis T., Corkery, Peter, Zhang, Zhen, Liu, Cui, Xue, Shuang-mei, Zhuang, Liwei, Tsapatsis, Michael. 2023-06-01. CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System. https://doi.org/10.1021/acs.iecr.3c01151

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY subjectAtomic layer deposition subjectBiochemistry subjectDEPOSITION subjectPrecursors subjectVapor pressure subject

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