Materials informatics approach using domain modelling for exploring structure-property relationships of polymers.

ABSTRACT: In the development of polymer materials, it is an important issue to explore the complex relationships between domain structure and physical properties. In the domain structure analysis of polymer materials, ¹H-static solid-state NMR (ssNMR) spectra can provide information on mobile, rigid, and intermediate domains. But estimation of domain structure from its analysis is difficult due to the wide overlap of spectra from multiple domains. Therefore, we have developed a materials informatics approach that combines the domain modeling ( http://dmar.riken.jp/matrigica/ ) and the integrated analysis of meta-information (the elements, functional groups, additives, and physical properties) in polymer materials. Firstly, the ¹H-static ssNMR data of 120 polymer materials were

SUBMITTER: Hara K 

PROVIDER: S-EPMC9217937 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature