The smallest structural elements of glass determining its properties according to vibrational spectroscopy data

Quantitatively predicting the optical and spectroscopic properties of Nd3+‐doped laser glasses

“…The main obstacle to its widespread practical application is the lack of data on thermodynamics 9 . The constant stoichiometry grouping concept proposed by Yanush and coworkers provides an opportunity to calculate many properties of glasses based on the experimentally measured vibrational spectra exclusively without using any supplementary data 10–13 . However, this model has been hardly used in the calculation of spectroscopic properties.…”

“…9 The constant stoichiometry grouping concept proposed by Yanush and coworkers provides an opportunity to calculate many properties of glasses based on the experimentally measured vibrational spectra exclusively without using any supplementary data. [10][11][12][13] However, this model has been hardly used in the calculation of spectroscopic properties. Modern methods, such as molecular dynamic simulations and topological constraint theory, provide a promising alternative pathway to simulate the microstructure of glass, but they still cannot describe the macroscopic structure and are mostly used to predict physical properties of glasses.…”