Related papers: Bonding trends within ternary Isocoordinate chalco…
We study the phase ordering dynamics of a two dimensional model colloidal solid using molecular dynamics simulations. The colloid particles interact with each other with a Hamaker potential modified by the presence of equatorial "patches"…
A ternary liquid crystalline mixture was designed to obtain a tilted hexatic smectic phase in the glassy state. Structural, electro-optic, and dielectric properties of the mixture are investigated, and selected measurements are also…
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…
Variation of fragility (m) of specially homogenized GexSe100-x melts are established from complex specific heat measurements, and show m(x) has a global minimum at an extremely low value (m=14.8(0.5)) in the 21.5%<x<23% range of Ge. Outside…
The growth of correlation lengths in equilibrium glass-forming liquids near the glass transition is considered a critical finding in the quest to understand the physics of glass formation. These understandings helped us understand various…
At the microscopic level, equilibrium liquid's translational symmetry is spontaneously broken at the so-called dynamic glass transition predicted by the mean-field replica approach. We show that this fact implies the emergence of Goldstone…
We study a colloidal suspension confined between two quasi-parallel walls as a model system for glass transitions in confined geometries. The suspension is a mixture of two particle sizes to prevent wall-induced crystallization. We use…
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS$_2$ at room temperature. From the radial distribution function we find nearest neighbor…
Carrier-type reversal to enable the formation of semiconductor p-n junctions is a prerequisite for many electronic applications. Chalcogenide glasses are p-type semiconductors and their applications have been limited by the extraordinary…
We analyze static point-to-set correlations in glass-forming liquids. The generic idea is to freeze the position of a set of particles in an equilibrium configuration and to perform sampling in the presence of this additional constraint.…
Structural symmetry of crystals plays important roles in physical properties of two-dimensional (2D) materials, particularly in the nonlinear optics regime. It has been a long-term exploration on the physical properties in 2D materials with…
Stochastic geometry provides a powerful framework for modelling complex random structures, with applications in physics, materials science, biology, and other fields. The three-dimensional microstructure of polycrystalline materials is…
We study concentrated colloidal suspensions, a model system which has a glass transition. The non-equilibrium nature of the glassy state is most clearly highlighted by aging -- the dependence of the system's properties on the time elapsed…
We present a microscopic picture of silver dynamics in GeSe$_{3}$:Ag glass obtained from {\it ab initio} simulation. The dynamics of Ag is explored at two temperatures, 300K and 700K. In the relaxed network, Ag occupies bond centers between…
In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and their structure agrees closely with diffraction measurements.…
Spin glasses have competing interactions that lead to a rough energy landscape which is highly susceptible to small perturbations. These chaotic effects strongly affect numerical simulations and, as such, gaining a deeper understanding of…
Tetragonal Ta2Se is a layered, Ta-rich chalcogenide that departs from conventional MX2 transition-metal dichalcogenides by hosting dense Ta-Ta networks capped by Se square-net layers. Here, we present a unified first-principles…
This monograph presents the results of experimental and theoretical studies of binary and ternary crystalline and glassy silicon tellurides. It provides a detailed description of the methods for synthesizing and growing bulk and…
The synthesis of xAgI(1-x)[Ag2O.B2O3] amorphous superionic conductors is done via mechanochemical synthesis route (for x = 0.5 and 0.7). Ionic conductivities of 3 mOhm-1cm-1 for x = 0.5 sample and 5mOhm-1cm-1 for x = 0.7 sample at room…
We report experimental measurements of particle dynamics in a colloidal glass in order to understand the dynamical heterogeneities associated with the cooperative motion of the particles in the glassy regime. We study the local and global…