相关论文: Density-Diffusion Relationship in Soda-Lime Phosph…
Borosilicate glasses are traditionally challenging to model using atomic scale simulations due to the composition and thermal history dependence of the coordination state of B atoms. Here, we report a new empirical interatomic potential…
We construct a coarse-grained molecular dynamics model based on poly(ethylene oxide) and lithium bis-(trifluoromethane)sulfonimide salt to examine the combined effects of temperature and salt concentration on the transport properties. Salt…
We use ab initio simulations to study the static and dynamic properties of a sodium borosilicate liquid with composition 3Na_2O-B_2O_3-6SiO_2, i.e. a system that is the basis of many glass-forming materials. In particular we focus on the…
We study theoretically and numerically a family of multi-point dynamic susceptibilities that quantify the strength and characteristic lengthscales of dynamic heterogeneities in glass-forming materials. We use general theoretical arguments…
Activity-driven glassy dynamics, while ubiquitous in collective cell migration, intracellular transport, dynamics in bacterial and ant colonies, etc., also extend the scope and extent of the as-yet mysterious physics of glass transition.…
We report results of molecular dynamics simulations to understand the role of solute and solute-solvent interaction on solute diffusivity in a solid solution within a body centered cubic solid when the solute size is significantly smaller…
The time-dependent fluctuations of conductivity \sigma have been studied in a two-dimensional electron system in low-mobility, small-size Si inversion layers. The noise power spectrum is ~1/f^{\alpha} with \alpha exhibiting a sharp jump at…
Fluctuating pairwise interactions are understood to drive fluid-like states in dense biological systems. These states find a broad range of functionalities, such as directing growth during morphogenesis and forming aggregates with…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Diffusion in a two-phase system is a classical problem discussed in the literature. The general solution of the one-dimensional case to this problem is revisited and a detailed derivation is proposed. The solution is discussed in…
Using computer simulations, we identify the mechanisms causing aggregation and structural arrest of colloidal suspensions interacting with a short-ranged attraction at moderate and high densities. Two different non-ergodicity transitions…
The glass transition is considered within two toys models, a mean field spin glass and a directed polymer in a correlated random potential. In the spin glass model there occurs a dynamical transition, where the system condenses in a state…
We study the aging dynamics in a model for dense simple liquids, in which particles interact through a hard-core repulsion complemented by a short-ranged attractive potential, of the kind found in colloidal suspensions. In this system, at…
Alkali salt-doped ionic liquids are emerging as promising electrolyte systems for energy applications, owing to their excellent interfacial stability. To address their limited ionic conductivity, various strategies have been proposed,…
We study the distribution of colloidal particles confined in drying spherical droplets using both dynamic density functional theory (DDFT) and particle-based simulations. In particular, we focus on the advection-dominated regime typical of…
We use molecular dynamics simulations to study the behavior of supercooled water subject to different stimuli from a diluted azobenzene hydrophobic probe. When the molecular motor does not fold, it acts as a passive probe, modifying the…
Dense active systems are widespread in nature, examples range from bacterial colonies to biological tissues. Dense clusters of active particles can be obtained by increasing the packing fraction of the system or taking advantage of a…
Bacterial assemblies exhibit rich collective behaviors that control their biological functions, making them a relevant object of study from an active matter physics perspective. Dense bacterial suspensions self-organize into distinct…
Solvent plays an important role in the relative motion of nanoscopic bodies, and the study of such phenomena can help elucidate the mechanism of hydrophobic assembly, as well as the influence of solvent-mediated effects on in vivo motion in…
We report a numerical study of the shear viscosity and the frequency dependent elastic moduli close to dynamical arrest for a model of short-range attractive colloids, both for the repulsive and the attractive glass transition. Calculating…