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We investigate the physics of ultracold dipolar molecules using path-integral quantum Monte Carlo simulations, and construct the complete phase diagram extending from weak to strong interactions and from small to mesoscopic particle…
Functional properties of nanomaterials strongly depend on their surface atomic structure, but they often become largely different from their bulk structure, exhibiting surface reconstructions and relaxations. However, most of the surface…
Regular arrays of metal nanoparticles on metal films have tuneable optical resonances that can be applied for surface enhanced Raman scattering or biosensing. With the aim of developing more surface selective geometries we investigate…
We systematically study the relationship between equilibrium and non-equilibrium phase diagrams of a system of short-ranged attractive colloids. Using Monte Carlo and Brownian dynamics simulations we find a window of enhanced…
The structure of states of the perturbed p-spin spherical spin-glass is analyzed. At low enough free energy metastable states have a supersymmetric structure, while at higher free energies the supersymmetry is broken. The transition between…
We investigated the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm. We found that, at variance from bulk systems, at low T small nanoparticles are amorphous and they undergo to an…
We report the studies of ultrafast electron nanocrystallography on size-selected Au nanoparticles (2-20 nm) supported on a molecular interface. Reversible surface melting, melting, and recrystallization were investigated with dynamical…
In 1965 Duwez \textit{et al.} reported having generated an amorphous, stable phase of palladium-silicon in the region 15 to 23 atomic percent (at. \%) silicon. These pioneering efforts have led to the development of solid materials that are…
Concentrated colloidal suspensions are a well-tested model system which has a glass transition. Colloids are suspensions of small solid particles in a liquid, and exhibit glassy behavior when the particle concentration is high; the…
Crystallization and vitrification of tetrahedral liquids are important both from a fundamental and a technological point of view. Here, we study via extensive umbrella sampling Monte Carlo computer simulations the nucleation barriers for a…
The atomic structure of the supercooled liquid has often been discussed as a key source of glass formation in metals. The presence of icosahedrally-coordinated clusters and their tendency to form networks have been identified as one…
For the study of crystal formation and dynamics we introduce a simple two-dimensional monatomic model system with a parametrized interaction potential. We find in molecular dynamics simulations that a surprising variety of crystals, a…
Supersolidity of glasses is explained as a property of an unusual state of condensed matter. This state is essentially different from both normal and superfluid solid states. The mechanism of the phenomenon is the transfer of mass by…
Structural rearrangement of polystyrene colloidal crystals under dry sintering conditions has been revealed by in situ grazing incidence X-ray scattering. Measured diffraction patterns were analysed using distorted wave Born approximation…
Nanocrystal gelation provides a powerful framework to translate nanoscale properties into bulk materials and to engineer emergent properties through the assembled microstructure. However, many established gelation strategies rely on…
We report free-standing atomic crystals that are strictly 2D and can be viewed as individual atomic planes pulled out of bulk crystals or as unrolled single-wall nanotubes. By using micromechanical cleavage, we have prepared and studied a…
The onset of structural arrest and glass formation in a concentrated suspension of silica nanoparticles in a water-lutidine binary mixture near its consolute point is studied by exploiting the near-critical fluid degrees of freedom to…
A liquid can form under cooling a glassy state either as a result of a continuous slowing down or by a first order polyamorphous phase transition. The second scenario has so far always been observed below the melting point where it…
Pure glass is defined as a thermodynamic phase in which typical equilibrium particle configurations have macroscopic overlaps with one of some special irregular configurations. By employing 128-types of artificial molecules, a pure glass…
We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to…