Related papers: Structural Order for One-Scale and Two-Scale Poten…
The present study applies the power spectral analysis technique to understand the diffusional anomaly in liquid silica, modeled using the BKS potential. Molecular dynamics simulations have been carried out to show that power spectrum of…
In an earlier report we explored structural correlations at a liquid-solid interface with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to…
Scaling of turbulent wall-bounded flows is revealed in the gradient structures, for each of the Reynolds stress components. Within the dissipation structure, an asymmetrical order exists, that we can deploy to unify the scaling and…
We investigate the dynamical evolution of a thermodynamically unstable crystal surface into a hill-and-valley structure. We demonstrate that, for quasi one-dimensional ordering, the equation of motion maps exactly to the modified…
We study the kinetics of the nematic-isotropic transition in a two-dimensional liquid crystal by using a lattice Boltzmann scheme that couples the tensor order parameter and the flow consistently. Unlike in previous studies, we find the…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
We explore the structural properties of anomalous fluids confined in a nanopore using Molecular Dynamics simulations. The fluid is modeled by core-softened (CS) potentials that have a repulsive shoulder and an attractive well at a further…
The microscopic structure of several amorphous substances often reveals complex patterns such as medium- or long-range order, spatial heterogeneity, and even local polycrystallinity. To capture all these features, models usually incorporate…
Using molecular dynamic simulations we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. We obtain…
The medium range order (MRO) in amorphous systems has been linked to complex features such as the dynamic heterogeneity of supercooled liquids or the plastic deformation of glasses. However, the nature of the MRO in these materials has…
We numerically investigate collective ordering and disordering effects for vortices in type-II superconductors interacting with square and triangular substrate arrays under a dc drive that is slowly rotated with respect to the fixed…
Dynamic heterogeneity as one of the most important properties in supercooled liquids has been found for several decades. However, its structural origin remains open for many systems. Here, we propose a new structural parameter to…
X-ray and Neutron diffraction as well as muon spin relaxation and M\"ossbauer experiments performed on SrFe$_2$As$_2$ polycrystalls confirm a sharp first order transition at $T_0 = 205$,K corresponding to an orthorhombic phase distortion…
Anomalous behaviour of the excess entropy ($S_e$) and the associated scaling relationship with diffusivity are compared in liquids with very different underlying interactions but similar water-like anomalies: water (SPC/E and TIP3P models),…
We present evidence that the concurrent existence of two populations of particles with different effective diameters is not a prerequisite for the occurrence of anomalous phase behaviors in systems of particles interacting through…
Proton ordering in water ice is a paradigmatic order-disorder transition in a locally constrained system. The ice rules require exactly two hydrogens close to each oxygen, restricting the disorder to an exponentially large yet strongly…
We investigate the microscopic origin of water's anomalies by inspecting the hydrogen bond network (HBN) and the spatial organization of low-density-liquid (LDL) like and high-density-liquid (HDL) like environments. Specifically, we…
We use Molecular Dynamics simulations to study how the nanopore and the fluid structures affects the dynamic, thermodynamic and structural properties of a confined anomalous fluid. The fluid is modeled using an effective pair potential…
The conventional wisdom is that liquids are completely disordered and lack non-trivial structure beyond nearest-neighbor distances. Recent observations have upended this view and demonstrated that the microstructure in liquids is…
As temperature drops, molecular systems may undergo spontaneous ordering, moving from random behavior to orderly structure. This research demonstrates a direct analogy between this type of thermodynamic ordering in molecular systems and the…