Figure 1
Conceptual diagram of materials informatics approach to exploring structure–property relationships using domain modeling. (a) To exploring relationships between structure and property of polymer materials, 1H-static solid-state NMR (ssNMR) spectrum, primary structure information and physical property data obtained from TG, DTA and DTG were used. (b) Domain modeling was applied to the input 1H-static ssNMR spectrum of polymer materials to obtain domain structural information. (c) The domain proportion, primary structure data and thermophysical property data were integrated for data analysis such as statistical analysis, SOM and MBA. 1H-static ssNMR, Proton static solid-state nuclear magnetic resonance; TG, Thermogravimetry; DTA, Differential thermal analysis; DTG, Derivative thermogravimetry; Tm, Melting temperature; Td, Thermal decomposition temperature; Tg, Glass transition temperature; STFT, Short-time Fourier transform; MBA, Market basket analysis; SOM, Self-organization map.
