相关论文: Inherent structure analysis reveals origin of brea…

For two-component assemblies, an inherent structure diagram (ISD) is the relationship between set inter-subunit energies and the types of kinetic traps (inherent structures) one may obtain from those energies. It has recently been shown…

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)…

Breakdown of Stokes-Einstein relation in supercooled liquids is believed to be one of the hallmarks of glass transition. The phenomena is studied in depth over many years to understand the microscopic mechanism without much success.…

We present a large-scale (36000-particle) computational study of the "inherent structures" (IS) associated with equilibrium, two-dimensional, one-component Lennard-Jones systems. Our results provide strong support both for the…

Water displays breakdown of the Stokes-Einstein relation at low temperatures. We hypothesize that the breakdown is a result of the structural changes and a sharp rise in dynamic heterogeneities that occurs low T upon crossing the Widom…

Binary mixtures are known to phase separate via both nucleation and spinodal decomposition, depending on the initial composition and extent of the quench. Here we develop an energy landscape view of phase separation and non-ideality in…

The Stokes-Einstein (SE) relation is commonly regarded as being breakdown in supercooled water. However, this conclusion is drawn upon testing the validities of some variants of the SE relation rather than its original form, and it appears…

Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and…

Molecular Dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the…

Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively…

In this Research Note the Zwanzig's formulation of the Stokes-Einstein (SE) relation for simple atomistic fluids is re-examined. It is shown that the value of the coefficient in SE relation depends on the ratio of the transverse and…

The effective hydrodynamic radius is usually assumed to be a constant in testing the Stokes-Einstein relation by its variants. We have performed molecular dynamics simulations with ortho-terphenyl and Kob-Andersen model to examine the…

We generate inherent structures, local potential-energy minima, of the "$k$-space overlap potential" in two-dimensional many-particle systems using a cooling and quenching simulation technique. The ground states associated with the…

Hydrodynamic interactions are important for diverse fluids especially those with low Reynold's number such as microbial and particle-laden suspensions, and proteins diffusing in membranes. Unfortunately, while far-field (asymptotic)…

The implications of the formation of a Bose condensate on one- and two-particle spectra are studied for ultrarelativistic nucleus-nucleus collisions in the framework of a hydrodynamic description. It is found that single particle spectra…

We unveil the existence of non-affinely rearranging regions in the inherent structures (IS) of supercooled liquids by numerical simulations of two- and three-dimensional model glass formers subject to static shear deformations combined with…

We show that the phenomenon of modulational instability in arrays of Bose-Einstein condensates confined to optical lattices gives rise to coherent spatial structures of localized excitations. These excitations represent thin disks in 1D,…

The study of structures involving vortices in one component and bright solitary waves in another has a time-honored history in two-component atomic Bose-Einstein condensates. In the present work, we revisit this topic extending…

The solution and diffusion of interstitial non-metallic solutes (INSs) like H, He, O, C, N, P, and S is common in refractory high-entropy alloys (RHEAs) and essentially controls the RHEAs properties. However, the disorder local chemical…

We carefully investigate the two fundamental assumptions in the Stillinger-Weber analysis of the inherent structures (IS's) in the energy landscape and come to conclude that they cannot be validated. This explains some of the conflicting…