| Literature DB >> 30999547 |
Ankit Singh1, Yashwant Singh1.
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.Year: 2019 PMID: 30999547 DOI: 10.1103/PhysRevE.99.030101
Source DB: PubMed Journal: Phys Rev E ISSN: 2470-0045 Impact factor: 2.529