Thermodynamic cooperativity in glass-forming liquids: Indications and consequences

Estimating the Energy State of Liquids

“…preferably towards nearby vacancies, we found that with temperature increasing atomic migrations may become so intensive that the migration atoms will finally squash the nearby vacancy and trigger local lattice instability with a liquid nucleus produced (a process that is hereafter referred to as vacancy-squashing) [2]. After this, the resulting model for liquid nucleus was tentatively applied to elucidate some silent features of liquid-to-glass transition as was summarized in [2].…”

“…preferably towards nearby vacancies, we found that with temperature increasing atomic migrations may become so intensive that the migration atoms will finally squash the nearby vacancy and trigger local lattice instability with a liquid nucleus produced (a process that is hereafter referred to as vacancy-squashing) [2]. After this, the resulting model for liquid nucleus was tentatively applied to elucidate some silent features of liquid-to-glass transition as was summarized in [2]. Apart from crystal melting and glass transition, in the present paper, efforts are paid on the strategies of model developing for normal liquids (i.e., liquids at temperatures above the melting point of corresponding crystals), particularly, (i) shall we prefer gas-or solid-like models for liquids?…”

“…kT W e (2) assumption that the neighbors are in their equilibrium positions." Accordingly, a free volume was defined as an integral over an atomic cell, with  being the potential energy of the field within it, see Figure 1b: It is noted that, according to Ref.…”

Atomistics of self-diffusion in liquid metals

“…We approached this issue by considering the continuity of liquids and corresponding crystals at the instant of melting [4] and proposed to estimate the energy state of liquids by using the energy of a vacancy divided among the first shell atoms [3]. By doing so, the many-body potentials are included in the formation energy of a vacancy, with which complex calculations were avoided to know liquid properties.…”

“…Such a situation is traced back through the pre-LAM ages in the early 20 th century to the days of van der Waals around 1873 [1][2][3][4].…”