Elastically Collective Nonlinear Langevin Equation (ECNLE) theory for structural relaxation time

Constructing bridges between theory and experiments in materials science is essential for understanding physical mechanisms, explaining experimental data, and finding new applications. In this work, we introduce a web application to rapidly calculate the temperature dependence of structural relaxation time and diffusion constant of amorphous materials including polymers, thermal liquids, colloidal systems, amorphous drugs, and metallic glasses. Our calculations are based on the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory discussed in Mol. Pharmaceutics 16, 2992-2998 (2019) and Phys. Rev. Lett. 126, 025502 (2021). For many years, theoretical predictions have been in a quantitative and qualitative agreement with experiments. The predicted alpha relaxation time ranging from 10 picoseconds to 104 s covers from simulation timescale to experimental timescale. Our web application enables users to input parameters, upload experimental/simulation data, and perform theoretical calculations to contrast results with each other.