Related papers: Lowest-energy structures of 13-atom binary cluster…
A growing body of experiments display indirect evidence of icosahedral structures in supercooled liquid metals. Computer simulations provide more direct evidence but generally rely on approximate interatomic potentials of unproven accuracy.…
A theoretical study of the structure formation observed very recently [Phys. Rev. Lett. 90, 128303 (2003)] in binary colloids is presented. In our model solely the dipole-dipole interaction of the particles is considered,…
Cluster structure of 16O,18O and 20O is investigated by the antisymmettrized molecular dynamics (AMD) plus generator coordinate method (GCM). We have found the K^{\pi}=0$_2^+$ and 0$_1^-$ rotational bands of 18O that have the prominent…
Chiral nematic or cholesteric liquid crystals (LCs) are mesophases with long-ranged orientational order featuring a quasi-layered periodicity imparted by a helical configuration but lacking positional order. Doping molecular cholesteric LCs…
We discuss the configurations in which singly and doubly quantized vortex lines may coexist in a rotating superfluid. General principles of energy minimization lead to the conclusion that in equilibrium the two vortex species segregate…
Outermost occupied electron shells of chemical elements can have symmetries resembling that of monopoles, dipoles, quadrupoles and octupoles corresponding to filled s-, p-, d- and forbitals. Theoretically, elements with hexadecapolar outer…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
The term superalkali refers to the clusters with lower ionization energy than alkali atoms. Typical superalkali cations include a central electronegative core with excess metal ligands, OLi3+, for instance, which mimic the properties of…
We present a new theoretical framework for modelling the fusion process of Lennard-Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we…
We use a newly-developed method to identify local structural motifs in a popular model glassformer, the Kob-Andersen binary Lennard-Jones mixture. By measuring the lifetimes of a zoo of clusters, we find that 11-membered bicapped square…
Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large $p$ character of Li leads to unexpected ionic structures. At N~25, a packing pattern…
Motivated by recent experiments on bilayer polyhedra composed of amphiphilic molecules, we study the elastic bending energies of bilayer vesicles forming polyhedral shapes. Allowing for segregation of excess amphiphiles along the ridges of…
Stable light bullets and clusters of them are presented in the monostable regime using the mean-field Lugiato-Lefever equation [Gopalakrishnan, Panajotov, Taki, and Tlidi, Phys. Rev. Lett. 126, 153902 (2021)]. It is shown that…
We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of icosahedral structures. Upon cooling these icosahedra organize into mesoclusters. We recast this glassformer as an effective…
We carried out density functional calculation to study Co$_{13}$ clusters on graphene. We deposit several free isomers in different disposition respect to hexagonal lattice nodes, studying even the $hcp$ $2d$ isomer recently obtained as the…
We identify several new quasicrystal approximants in alloy systems in which quasicrystals have not been previously reported. Some occur in alloys with large size contrast between the constituent elements, either containing small Boron…
We investigate a range of possible materials containing the supermolecular form of hydrogen comprising 13 hydrogen molecules arranged in an icosahedral arrangement. This supermolecule consists of freely rotating 12 hydrogen molecules in an…
According to the hierarchical clustering scenario, galaxies like the Milky Way form hierarchically, and many supporting evidences have been found in the Galactic halo. However, most stars in the Milky Way are disk stars. Disk stars have…
We identify a new family of boron-rich compounds consisting of interconnected B$_{12}$ icosahedra, and electropositive guest atoms ($X$) in interstitial sites. These structures were found through first-principles crystal structure…
The correlation between local structure and the propensity for structural rearrangements has been widely investigated in glass forming liquids and glasses. In this paper we use the excess two-body entropy $S_2$ and tetrahedrality $\n_{tet}$…