Related papers: Heterogeneities in Supercooled liquids: A Density …
An overview of theoretical results and experimental data on the thermodynamics, structure and dynamics of the heterophase glass-forming liquids is presented. The theoretical approach is based on the mesoscopic heterophase fluctuations model…
We propose a class of mean-field models for the isostatic transition of systems of soft spheres, in which the contact network is modeled as a random graph and each contact is associated to $d$ degrees of freedom. We study such models in the…
The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular…
Liquid mixtures can separate into phases with distinct composition. This phenomenon has recently come back to prominence due to its role in complex biological liquids, such as the cytoplasm, which contain thousands of components. For simple…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
For a film of liquid on a solid surface, the binding potential $g(h)$ gives the free energy as a function of the film thickness $h$ and also the closely related structural disjoining pressure $\Pi = - \partial g / \partial h$. The wetting…
We study the statistics of level-spacing of Instantaneous Normal Modes in a supercooled liquid. A detailed analysis allows to determine the mobility edge separating extended and localized modes in the negative tail of the density of states.…
A system of a metastable phase with several sorts of heterogeneous centers is considered. An analytical theory for the process of decay in such a system has been constructed. The free energy of formation of a critical embryo is assumed to…
The definition of metastable states is an ubiquitous task in the design and analysis of molecular simulations, and is a crucial input in a variety of acceleration methods for the sampling of long configurational trajectories. Although…
The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other…
Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is…
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two…
While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local…
We present a theoretical study of capillary condensation of fluids adsorbed in mesoporous disordered media. Combining mean-field density functional theory with a coarse-grained description in terms of a lattice-gas model allows us to…
We study dynamical phase transitions in a model supercooled liquid. These transitions occur in ensembles of trajectories that are biased towards low (or high) dynamical activity. We compare two different measures of activity that were…
We present a model in which metastable supercooled phase and stable equilibrium phase of vortex matter coexist in different regions of a sample. Minor hysteresis loops are calculated with the simple assumption of the two phases of vortex…
The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
We study a partially disordered one-dimensional system with interacting particles. Concretely, we impose a disorder potential to only every other site, followed by a clean site. Our numerical analysis of eigenstate properties is based on…
We study the solid-to-liquid transition in a two-dimensional fully periodic soft-glassy model with an imposed spatially heterogeneous stress. The model we consider consists of droplets of a dispersed phase jammed together in a continuous…