1. Multiscale modeling
Materials fabrication technologies, such as ALD, are particularly complex when considering the various mechanisms involved in the formation of micro- and nanomaterials as well as their interfaces: surface chemistry, physical phenomena of adsorption and desorption, reactive gas flow, heat transfer, and even mechanical stresses. Since these mechanisms do not occur at the same time or spatial scales, the use of several specialized modeling tools is necessary if the ultimate goal is to develop predictive tools for design engineers. Multiscale modeling specifically involves linking these different levels of description, from the atomic scale to that of the deposition reactor. Figure
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Multiscale modeling