000619278 001__ 619278 000619278 005__ 20250715171115.0 000619278 0247_ $$2doi$$a10.1021/acs.chemmater.3c03173 000619278 0247_ $$2ISSN$$a0897-4756 000619278 0247_ $$2ISSN$$a1520-5002 000619278 0247_ $$2datacite_doi$$a10.3204/PUBDB-2024-07526 000619278 0247_ $$2WOS$$aWOS:001180297700001 000619278 0247_ $$2openalex$$aopenalex:W4392459298 000619278 037__ $$aPUBDB-2024-07526 000619278 041__ $$aEnglish 000619278 082__ $$a540 000619278 1001_ $$0P:(DE-H253)PIP1093737$$aDeyu, Getnet Kacha$$b0$$eCorresponding author 000619278 245__ $$aReducing the Thermal Effects during Coating of Superconducting Radio-Frequency Cavities: A Case Study for Atomic Layer Deposition of Alumina with a Combined Numerical and Experimental Approach 000619278 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2024 000619278 3367_ $$2DRIVER$$aarticle 000619278 3367_ $$2DataCite$$aOutput Types/Journal article 000619278 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1733927210_2837377 000619278 3367_ $$2BibTeX$$aARTICLE 000619278 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000619278 3367_ $$00$$2EndNote$$aJournal Article 000619278 520__ $$aCoating the inner surface of superconducting radio frequency (SRF) cavities is one of the strategies to push ultimate limits in next generation accelerators. One of the potential coating techniques for such intricate and large volume structures is atomic layer deposition (ALD), as it offers full and uniform layer coverage. In order to predict the process parameters for coating SRF cavities on the large substrates with ALD, we simulate the ALD of alumina (Al$_2$O$_3$) on the ANSYS Fluent 19.1 commercial package by solving vapor transport and chemistry equations. The computational domain in the numerical model is based on the homemade ALD setup for thin film sample chamber and a 1.3 GHz Tesla-shaped niobium cavity. Trimethlyaluminum (TMA) and water (H$_2$O) were used as precursors. In the simulation process for the cavity, two steps were carried out: first, the simulation of precursor distribution, followed by the simulation of surface reactions. The simulations show that saturation is achieved with precursor pulses of only 50 ms after 1.05 s for TMA and 750 ms for H$_2$O, obviating the necessity for prolonged exposure times. Furthermore, the resulting predicted growth per cycle of these process times of ≈1.22 Å for Al2O3 was experimentally validated, affirming the credibility of our simulations. Experimental findings also showcased a remarkable 66.2% reduction in process time while upholding film homogeneity and quality. Our approach presented here carries profound importance, particularly for coating intricate and large volume structures, like SRF cavities, and provides another approach to minimize time- and resource-intensive parameter scans. 000619278 536__ $$0G:(DE-HGF)POF4-621$$a621 - Accelerator Research and Development (POF4-621)$$cPOF4-621$$fPOF IV$$x0 000619278 536__ $$0G:(DE-Ds200)BMBF-05H21GURB2$$a05H21GURB2 - Verbundprojekt 05H2021 - R&D BESCHLEUNIGER (TOSCA): Neue Ansätze zur Messung und Modellierung der Oberflächeneigenschaften supraleitender Resonatoren (BMBF-05H21GURB2)$$cBMBF-05H21GURB2$$f05H21GURB2$$x1 000619278 536__ $$0G:(DE-Ds200)BMBF-05K22GUD$$a05K22GUD - Verbundprojekt 05K2022 - NOVALIS: Innovative Beschleunigertechnologien für effiziente Strahlungsquellen. Teilprojekt 1. (BMBF-05K22GUD)$$cBMBF-05K22GUD$$f05K22GUD$$x2 000619278 542__ $$2Crossref$$i2024-03-05$$uhttps://creativecommons.org/licenses/by/4.0/ 000619278 588__ $$aDataset connected to CrossRef, Journals: bib-pubdb1.desy.de 000619278 693__ $$0EXP:(DE-MLZ)NOSPEC-20140101$$5EXP:(DE-MLZ)NOSPEC-20140101$$eNo specific instrument$$x0 000619278 7001_ $$0P:(DE-H253)PIP1091505$$aParikh, Trupen$$b1 000619278 7001_ $$0P:(DE-H253)PIP1007185$$aWenskat, Marc$$b2$$udesy 000619278 7001_ $$0P:(DE-H253)PIP1092556$$aGonzalez Diaz-Palacio, Isabel$$b3 000619278 7001_ $$0P:(DE-H253)PIP1027258$$aBlick, Robert H.$$b4 000619278 7001_ $$0P:(DE-H253)PIP1083711$$aZierold, Robert$$b5 000619278 7001_ $$0P:(DE-H253)PIP1032393$$aHillert, Wolfgang$$b6 000619278 77318 $$2Crossref$$3journal-article$$a10.1021/acs.chemmater.3c03173$$bAmerican Chemical Society (ACS)$$d2024-03-05$$n6$$p2846-2856$$tChemistry of Materials$$v36$$x0897-4756$$y2024 000619278 773__ $$0PERI:(DE-600)1500399-1$$a10.1021/acs.chemmater.3c03173$$gVol. 36, no. 6, p. 2846 - 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