Modeling thermal effects in atomic layer deposition for trench-shaped structures

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Authors

Date

2026-02-01

Department

Department of Energy and Mechanical Engineering
Department of Chemical and Metallurgical Engineering

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Mcode

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Language

en

Pages

19

Series

Chemical Engineering Science, Volume 321, Part A

Abstract

An atomic layer deposition (ALD) simulation approach is presented for transient diffusion of heat and mass at low Knudsen numbers (Kn<0.1), focusing on thermal effects in trench-shaped structures. Two boundary conditions (BCs) are analyzed: the ‘thin wall’ BC incorporates exothermic reactions with a derived wall heat flux term, and the ‘thick wall’ BC maintains constant wall temperature ranging between 500 K and 800 K. For both BCs, we examine aspect ratios from 1 to 100. The chosen BC significantly impacts reaction kinetics/peak temperatures, with local temperature variations up to 200 K under ‘thin wall’ conditions. The coating time ratio between ‘thin wall’ and ‘thick wall’ ranges from 0.9 to 1.7. Two ‘universal’ functional forms are proposed to explain how surface coverage depends on time and how coating time relates to aspect ratio and diffusion timescale. Results emphasize the crucial role of temperature distribution in ALD, impacting growth per cycle, reactant decomposition/desorption, and potential substrate damage.

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Publisher Copyright: © 2025 The Author(s)

Keywords

Atomic layer deposition (ALD), Computational fluid dynamics (CFD), OpenFOAM, Thermal management

Other note

DOI

10.1016/j.ces.2025.122683

Citation

Isitman, G E, Izbassarov, D, Tamadonfar, P, Puurunen, R L & Vuorinen, V 2026, 'Modeling thermal effects in atomic layer deposition for trench-shaped structures', Chemical Engineering Science, vol. 321, Part A, 122683. https://doi.org/10.1016/j.ces.2025.122683

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https://urn.fi/URN:NBN:fi:aalto-202511058697

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[article-cris] Kemian tekniikan korkeakoulu / CHEM