Related papers: The Devil is in the details: Pentagonal bipyramids…
We consider a pentagon chain described by a Hubbard type of model considered under periodic boundary conditions. The system i) is placed in an external magnetic field perpendicular to the plane of the cells, and ii) is in a site selective…
Persistent homology (PH) was applied to probe the structural changes of glasses under shear. PH associates each local atomistic structure in an atomistic configuration to a geometric object, namely, a hole, and evaluates the robustness of…
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physico-chemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful…
The complex physics of self-assembly in colloidal crystals on deformable interfaces and surfaces poses interesting possibilities for the designability and synthesis of next-generation metamaterials. The goal of this article is to…
Metal halide perovskites are multifunctional semiconductors with tunable structures and properties. They are highly dynamic crystals with complex octahedral tilting patterns and strongly anharmonic atomic behaviour. In the higher…
We introduce a simple spherical model whose structural properties are similar to the ones generated by models with directional interactions, by employing a binary mixture of large and small hard spheres, with a square-well attraction acting…
Colloids self-assemble into various organized superstructures determined by particle interactions. There is a tremendous progress in both the scientific understanding and applications of self-assemblies of single-type identical particles.…
We review the impact of tetrahedral order on the macroscopic dynamics of bent-core liquid crystals. We discuss tetrahedral order comparing with other types of orientational order, like nematic, polar nematic, polar smectic, and active polar…
We report a detailed computational study by Brownian Dynamics simulations of the structure and dynamics of a liquid of patchy particles which develops an amorphous tetrahedral network upon decreasing temperature. The highly directional…
We use a simplified self-consistent method to address nonlinear-optical cascading phenomena, which shows added microscopic cascading contributions in high-ordered nonlinear susceptibilities through fifth order. These cascading terms in the…
The W-set of an element of a weak order poset is useful in the cohomological study of the closures of spherical subgroups in generalized flag varieties. We explicitly describe in a purely combinatorial manner the W-sets of the weak order…
Using Brownian dynamics simulation, we study the orientational order in melting transition of colloidal systems with $'$soft$'$ Yukawa potential. The bond-orientational order parameter $\Phi_{6}$ and the bond-orientational order function…
We suggest that the emergence of a large deformation in the magnesium, Mg, nuclides, especially at the Z = 12, N = 12, should be associated with an octahedral deformed shape. Within the framework of molecular geometrical symmetry, we find a…
We study polymorph selection in a model of charged colloids, with a focus on the higher-order structure prior to and during nucleation. Specifically, we carry out molecular dynamics simulations of a repulsive Yukawa system with a slightly…
IR polarized spectroscopy was employed, to obtain the three components of IR absorbance for a series DTC5Cn (n=5,7,9,11) of bent-shaped dimers containing double fluorinated terphenyl core. Then, they were used to calculate both uniaxial (S)…
Multi-component aggregates are being intensively researched in various fields because of their highly tunable properties and wide applications. Due to the complex configurational space of these systems, research would greatly benefit from a…
We study concentrated binary colloidal suspensions, a model system which has a glass transition as the volume fraction $\phi$ of particles is increased. We use confocal microscopy to directly observe particle motion within dense samples…
The existence of topological order is frequently associated with strongly coupled quantum matter. Here, we demonstrate the existence of topological phases in classical systems of densely packed, hard, anisotropic polyhedrally shaped…
In vivo configurations of dsDNA of bacteriophage viruses in a capsid are known to form hexagonal chromonic liquid crystal phases. This article studies the liquid crystal ordering of viral dsDNA in an icosahedral capsid, combining the…
We introduce a topological quantum number -- coined dynamical topological order parameter (DTOP) -- that is dynamically defined in the real-time evolution of a quantum many-body system and represented by a momentum space winding number of…