System Analysis and Control of the Influence of a Mixed Type of Chemical Bond in Substances and Materials on their Structure and Properties

Abstract:

Nowadays, a lot of information on structure and properties of a wide variety of substances and materials has been accumulated. Yet, there is a lack of systemic universal approaches to assessing their structure and properties, including developing the effective approaches for monitoring and analysing various materials. It is of special interest in this respect to assess the effects of the chemical bond type on structure and properties of substances and materials. However, searching for necessary data on the effects of chemical bonds on structure of substances and materials is a rather laborious process. The authors, relying on the intermediate nature of chemical bonds of compounds of elements in any metallic and non-metallic material, as well as the system of chemical bonds and compounds developed by them in the form of a “Chemical Triangle”, produced an algorithm for creating a computer programme. It implies systematising of the database on the effect of chemical bond type on its length and energy, structure and various physicochemical and mechanical properties of homo-and heteronuclear compounds and materials. Development of such a specialised computer programme greatly simplifies this process, providing more efficient analysis and control of materials.

• Periodical: Key Engineering Materials (Volume 887)
• Pages: 551-556
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.887.551
• Online since: May 2021
• Authors: O.S. Sirotkin, R.O. Sirotkin*, M.Yu. Perukhin
• Keywords: Chemical Bond, Chemical Triangle, Control of Structure and Properties of Substances and Materials, Database, Homo- and Heteronuclear Compounds, Programme, Software

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