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3 Marketplace-Level Domain Ontologies
Fig. 3.4 Example simulation workflow in LDT notation; scenario: Molecular-simulation-based
automated parameterization of a phenomenological equation of state [27, 29]
• macro:provides_access_to points to a service that can be accessed through the
given infrastructure. Domain: macro:infrastructure; range: macro:infrastructure_
service.
Logical Data Transfer (LDT) notation [27] builds on the workflow graph representations from MODA [20]; it clarifies how exactly the use case, model, solver
and processor entities relate to each other, e.g. where iterations and user interactions
take place and how variables are exchanged. In LDT notation, cf. Fig. 3.4, ellipses
represent sections; green circles and green arrows represent coupling and linking of
elements, dependencies concerning the order of execution and aspects related to concurrency and synchronization. Blue arrows point from use cases and models to the
part of the workflow to which these elements apply. Triangles are logical resources,
describing how information is transferred between the sections, pointing from the
source to the destination; if a triangle is filled, this denotes that a user interaction can
occur.
The visualization elements from LDT notation have a direct correspondence
with concepts and relations from OSMO [27], e.g. coupling and linking symbolized by green arrows correspond to the relations osmo:is_coupled_with and
osmo:is_linked_to, and flow of information, represented by lines between triangles
ellipses, corresponds to osmo:logical_access entities that relate to a logical resource
by osmo:has_resource and to a section by osmo:has_access_point, cf. Fig. 3.3. The
LDT representation, therefore, corresponds to an enriched version of a MODA graph;
by removing logical resources, details on iterations (represented in OSMO by rela-
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