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Geometric deviations are inevitably observable on manufactured workpieces and have huge influences on the quality and function of mechanical products. Therefore, many activities in geometric variations management have to be performed to ensure the product function despite the presence of these deviations. Dimensional and Geometrical Product Specification and Verification (GPS) are standards for the description of workpieces. Their lately revision grounds on GeoSpelling, which is a univocal language for geometric product specification and verification and aims at providing a common understanding of geometric specifications in design, manufacturing, and inspection. The Skin Model concept is a basic concept within GeoSpelling and is an abstract model of the physical interface between a workpiece and its environment. In contrast to this understanding, established models for computer-aided modelling and engineering simulations make severe assumptions about the workpiece surface. Therefore, this paper deals with operationalizing the Skin Model concept in discrete geometry for the use in geometric variations management. For this purpose, Skin Model Shapes, which are particular Skin Model representatives from a simulation perspective, are generated. In this regard, a Skin Model Shape is a specific outcome of the conceptual Skin Model and comprises deviations from manufacturing and assembly. The process for generating Skin Model Shapes is split into a prediction and an observation stage with respect to the available information and knowledge about expected geometric deviations. Moreover, applications for these Skin Model Shapes in the context of mechanical engineering are given.