Related papers: Correlation between inherent structures and phase …
Ethanol-water mixtures are a classic example of thermodynamic non-ideality, yet the structural origin of their pronounced anomalies, such as volume contraction and a large negative excess entropy, has remained a long-standing puzzle. Here,…
A microscopic understanding of low-temperature thermodynamics and its relation to dynamical features such as a fragile-to-strong crossover (FSC) remains a central challenge in glass physics. Using swap Monte Carlo combined with a full…
We investigate the dynamical properties of asymmetric nuclear matter at low density. The occurrence of new instabilities, that lead the system to a dynamical fragment formation, is illustrated, discussing in particular the charge symmetry…
Biological mixtures such as the cytosol may consist of thousands of distinct components. There is now a substantial body of evidence showing that, under physiological conditions, intracellular mixtures can phase separate into spatially…
Motivated by intracellular phase separation, we theoretically investigate how molecular orientation and multi-component nature affect phase behavior. We construct a minimal model for a ternary mixture composed of isotropic (I), anisotropic…
Active matter systems are inherently out of equilibrium and break the detailed balance (DB) at the microscopic scale, exhibiting vital collective phenomena such as motility-induced phase separation (MIPS). Here, we introduce a…
We determine and study the steady state of two independent two-level systems weakly coupled to a stationary non-equilibrium environment. Whereas this bipartite state is necessarily uncorrelated if the splitting energies of the two-level…
Differences in activities in colloidal particles are sufficient to drive phase separation between active and passive (or less active) particles, even if they have only excluded volume interactions. In this paper, we study the phase…
The energy landscape approach has been useful to help understand the dynamic properties of supercooled liquids and the connection between these properties and thermodynamics. The analysis in numerical models of the inherent structure (IS)…
We introduce a simple model, a binary mixture of patchy particles, which has been designed to form a gel upon heating. Due to the specific nature of the particle interactions, notably the number and geometry of the patches as well as their…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
We present a phenomenological theory for the phase behavior of ternary mixtures of cholesterol and saturated and unsaturated lipids, one which describes both liquid and gel phases, and illuminates the mechanism of the behavior. In a binary…
We perform a mean-field study of the binary Bose-Einstein condensate mixtures as a function of the mutual repulsive interaction strength. In the phase segregated regime, we find that there are two distinct phases: the weakly segregated…
We investigate the collective behavior of suspended thermoresponsive microgels, that expel solvent and subsequently decrease in size upon heating. Using a binary mixture of differently thermoresponsive microgels, we demonstrate how…
We investigate the dynamics of Bose-Einstein condensate droplets composed of $^{164}$Dy atoms formed in a double-well potential following removal of the interwell barrier. By solving the dipolar Gross-Pitaevskii equation, we determine phase…
The time sequences of the molecular dynamics simulation for the folding process of a protein is analyzed with the inherent structure landscape which focuses on configurational dynamics of the system. Time dependent energy and entropy for…
The equilibrium free energy landscape of off-lattice model heteropolymers as a function of an internal coordinate, namely the end-to-end distance, is reconstructed from out-of-equilibrium steered molecular dynamics data. This task is…
Phase separation is a fairly common physical phenomenon with examples including the formation of water droplets from humid air (fog, rain), the separation of a crystalline structure from an isotropic material such as a liquid or even the…
Inherent structure theory is used to discover strong connections between simple characteristics of protein structure and the energy landscape of a Go model. The potential energies and vibrational free energies of inherent structures are…
A model for a monolayer of two types of particles spontaneously forming ordered patterns is studied by a mesoscopic theory and by MC simulations. We assume hard-cores of the same size for both components, short-range attraction long-range…