Related papers: Activation Volume in the Density Scaling Regime: E…
In this paper, based on the effective intermolecular potential with well separated density and configuration contributions and the definition of the isothermal bulk modulus, we derive two similar equations of state dedicated to describe…
We theoretically investigate physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the Elastically Collective Nonlinear Langevin Equation theory. Based on the…
A thermal activation model to describe the plasticity of bulk metallic glasses (Derlet and Maa\ss, Phil. Mag. 2013, DOI: 10.1080/14786435.2013.826396) which uses a distribution of barrier energies and some aspects of under-cooled liquid…
Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…
This report proposes the solution of the long standing problem regarding the key property governing the pressure related dynamics in glass forming and complex systems: the determination of the apparent activation volume Va and its pressure…
A central question concerning glass-formation has been what governs the kinetic arrest of the quenched liquid - cooling reduces the thermal energy which molecules need to surmount local potential barriers, while the accompanying volume…
Classification of glass-forming liquids based on the dramatic change in their properties upon approach to the glassy state is appealing, since this is the most conspicuous and often-studied aspect of the glass transition. Herein, we show…
We show that thermodynamic scaling can be derived by combining the Murnaghan equation of state (EOS) with the generalized entropy theory (GET) of glass formation. In our theory, thermodynamic scaling arises in the non-Arrhenius relaxation…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
Negative activation volumes for dielectric relaxation are rarely reported in solid state physics and are limited to atomic scale processes. Broadband Dielectric Spectroscopy on heterogeneous systems, such as polycrystalline calcite and…
The role of jamming (steric constraints) and its relationship to the available volume is addressed by examining the effect that certain modifications of a glass-former have on the ratio of its isochoric and isobaric activation enthalpies.…
Motivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric…
In this paper, we report on nontrivial results of our investigations of dynamic and thermodynamic moduli in search of invariants for viscous liquids in the density scaling regime by using selected supercooled van der Waals liquids as…
The evolution of the aging process of glassy materials quenched from temperatures above their glass transition temperature $T_g$, when plotting the relaxed enthalpy versus the decrease in volume, leads to a slope comparable to the…
Viscosities and their temperature, T, and volume, V, dependences are reported for 7 molecular liquids and polymers. In combination with literature viscosity data for 5 other liquids, we show that the superpositioning of relaxation times for…
Low-energy excitations play a key role in all condensed-matter systems, yet there is limited understanding of their nature in glasses, where they correspond to local rearrangements of groups of particles. Here we introduce an algorithm to…
Dynamical quantities such as the diffusion coefficient and relaxation times for some glass-formers may depend on density and temperature through a specific combination, rather than independently, allowing the representation of data over…
The twice-activation method for analysis of experimental viscosity-temperature data reveals a set of interconnected parameters describing the state of the flowing glass-forming liquid in terms of convergation point which describes an…
A density scaled diffusivity function for viscous liquids derived earlier [Phys. Rev. E 79, 032501 (2009)] is revisited, based on an improved equation of state assuming that the isothermal bulk modulus increases linearly with pressure.…
Fundamental thermodynamical concepts and a solid-state point defect elastic model are used to formulate a diffusivity-density scaling function for viscous liquids. It is proved in a straightforward manner that the scaling exponent…