Related papers: Generalized Bond Order Parameters to Characterize …
The analytical canonical NLT partition function of a quasi-one dimensional (q1D) system of hard disks [J. Chem Phys. v.153, 144111 (2020)] provides a direct analytical description of the thermodynamics and ordering in this system (a pore)…
We apply microcanonical ensemble considerations to suggest that, whenever it may thermalize, a general disorder-free many-body Hamiltonian of a typical atomic system has solid-like eigenstates at low energies and fluid-type (and gaseous,…
Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to the glass transition and influence nucleation and growth of…
The phenomenon of liquid-gas phase transition occurring in heavy ion collisions at intermediate energies is a subject of contemporary interest. Phase transition is usually characterized by the specific behaviour of state variables like…
Studies of nucleation generally focus on the properties of the critical cluster, but the presence of defects within the crystal lattice means that the population of nuclei necessarily evolve through a distribution of pre-critical clusters…
The prototypical Hydrogen bond in water dimer and Hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by…
Grad's method of moments is employed to develop higher-order Grad's moment equations---up to first 26-moments---for granular gases within the framework of the (inelastic) Boltzmann equation. The homogeneous cooling state of a freely cooling…
We used the modified Hagedron function and analyzed the experimental data measured by the BRAHMS, STAR, PHENIX and ALICE Collaborations in Copper-Copper, Gold-Gold, deuteron-Gold, Lead-Lead, proton-Lead and proton-proton collisions, and…
The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the…
In microfluidic devices, droplets serving as carriers for chemical reactors or biomass can form stably encapsulated particles during the freezing process, holding significant importance in pharmaceuticals and microchemical reaction control.…
The free cooling process in the inelastic hard sphere system is studied by analysing the data from large scale molecular dynamics simulations on a three dimensional system. The initial energy decay, the velocity distribution function, and…
Certain density correlators, measurable via various experimental techniques, are studied in the context of the vulcanization transition. It is shown that these correlators contain essential information about both the vulcanization…
So-called polar liquid crystals possess spontaneous long-range mutual orientation of their electric dipole moments, conferring bulk polarity to fluid phases of matter. The combination of polarity and fluidity leads to complex phase…
We use a series of molecular dynamics simulations, and analytical theory, to demonstrate that a system of hard spheres confined to a narrow cylindrical channel exhibits a continuous phase transition from an isotropic fluid at low densities,…
We examine the dynamics of hard spheres and discs at high packing fractions in two and three dimensions, modeling the simplest systems exhibiting a glass transition. As it is well known, cooperativity and dynamic heterogeneity arise as…
Two-particle number and transverse momentum correlations are powerful tools for studying the medium produced in heavy-ion collisions. Correlations in the angular separation of pairs of hadrons can provide information on the medium transport…
We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…
In this work, we systematically investigate for the first time the nature of stress correlations in soft colloidal gel materials which support tensile and compressive forces as well as finite rolling torque, as a function of system…
The bond orientational order parameters originally introduced by Steinhardt \emph{et. al.} [Phys. Rev. B \textbf{28}, 784 (1983)] are a common tool for local structure characterization in soft matter studies. Recently, Mickel \emph{et. al.}…
We present in this paper a computational approach based on molecular dynamics simulations and graph theory to characterize the structure of liquid water considering not only the local structural arrangement within the first (or second)…