P.A. Sechenykh1

1 Federal Research Center «Computer Science and Control» of the Russian Academy of Sciences (FRC CSC RAS) (Moscow, Russia)

1 Moscow Aviation Institute (Moscow, Russia)

p-sechenyh@mail.ru

This work explores the application of deep specification for solving problems in structural materials science. Deep specification refers to the formal representation of data, rules, and constraints for their use in various applications. Its application helps to extend the principles of database design in the semantic aspect of the subject area. The domain model is a tool that allows for a more detailed determination of information requirements, including the structuring of data according to specific criteria, identification of data processing operations, as well as constraints and feedback parameters. The research presents the schematic macrostructure of the main data objects in the considered domain and defines the main data objects and the relationships between them. For each data object, the information content and its attributes have been determined. Based on this description, a relational data model has been developed, and scenarios for interaction between information and computational objects have been described.

The concept of MVC (Model-View-Controller) was chosen for implementing information support for computational calculations. This choice is driven by its universality, stability, clarity, and flexibility of the three interconnected elements. The external presentation of forms is done using the WPF tool. The internal model for processing information flows is based on EntityFramework. MS SQL Server and object methods are used for accessing the database. The manageability of the MVC platform is ensured by the internal dispatching of the .NET Framework operating system, based on standard patterns and aspects of C#. A prototype of an information support system for materials science tasks was presented, focusing on the search for metric parameters of stable crystalline structures based on a given chemical formula.

Sechenykh P.A. Deep specification of the structural properties of crystalline compounds in the information support system for mate­rials science problems. Highly Available Systems. 2023. V. 19. № 4. P. 51−62. DOI: https://doi.org/ 10.18127/j20729472-202304-04
(in Russian)

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