2021/07/28 by Anh D. Phan, Phan, Anh D., Nguyen K. Ngan +5
Materials Science · #FOS: Physical sciences #Material Dynamics and Properties #Materials Science (cond-mat.mtrl-sci) #Nonlinear Optical Materials Research #Soft Condensed Matter (cond-mat.soft) #Solid-state spectroscopy and crystallography
paper · pdf · doi:10.48550/arxiv.2107.13410
openalex publication_date 2021/07/28 · openalex created_date 2022/07/25 · openalex updated_date 2026/07/28
We theoretically investigate physical properties of the pressure-induced\nactivation volume and dynamic decoupling of ternidazole, glycerol, and probucol\nby the Elastically Collective Nonlinear Langevin Equation theory. Based on the\npredicted temperature dependence of activated relaxation under various\ncompression, the activation volume is determined to characterize effects of\npressure on molecular dynamics of materials. We find that the decoupling of the\nstructural relaxation time of compressed systems from their bulk uncompressed\nvalue is governed by the power-law rule. The decoupling exponent exponentially\ngrows with pressure below 2 GPa. The decoupling exponent and activation volume\nare intercorrelated and have a connection with the differential activation free\nenergy. We numerically and mathematically analyze relationships among these\nquantities to explain many results in previous experiments and simulations.\n