Super-Arrhenius behavior of molecular glass formers.

Singh, Ankit; Singh, Yashwant · Phys Rev E · 2019

basic_science · Level V

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Abstract

A theory is developed to calculate values of the potential-energy barriers to structural relaxation in molecular glass formers from the data of static pair-correlation function. The barrier height is shown to increase due to an increase in the number of "stable bonds" a particle forms with its neighbors and the energy of each bond as liquids move deeper into the supercooled (supercompressed) region. We present results for a system of hard spheres and compare calculated values of the structural relaxation time with experimental and simulation results.