Numerical modeling of atomic layer deposition supercycles

T. J. Kunene, R. A.M. Coetzee, L. Tartibu, T. C. Jen

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


This paper simulated the Atomic Layer Deposition process in the reactor scale using ANSYS® Fluent® 19.1 and ChemKin-PRO commercial packages to solve transport and chemistry equations. A 2D hot-walled isothermal viscous-flow ALD reactor was considered at a temperature of 473 K. Trimethlyaluminum and ozone were used as precursor A and reactant B respectively to obtain alumina. Various pulse deposition strategies of supercycles were modeled to enhance the surface reactions. They have been demonstrated to effectively prevent temporary steric hindrance and assist with saturation for self-limiting adsorption. The numerical model of each precursor dose, as short pulses, was modeled for multiple numbers of cycles x (x > 1, x ∊ I). Compared to the conversational binary reaction (ABx deposition), there was an increase with growth per cycle of 0.44–1.13 nm/cycle range of outcome of all the supercycles strategies.

Original languageEnglish
Pages (from-to)S30-S39
JournalMaterials Today: Proceedings
Publication statusPublished - Jan 2022


  • Atomic layer deposition
  • Growth per cycle
  • Precursor dose
  • Supercycle

ASJC Scopus subject areas

  • General Materials Science


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