相关论文: Mapping the magic numbers in binary Lennard-Jones …
Endohedrally doped Si20 fullerenes appear as appealing building blocks for nanoscale materials. We investigate their structural stability with an unbiased and systematic global geometry optimization method within density-functional theory.…
We study more than $10^4$ random aggregates of $10^6$ monodisperse sticky hard spheres each, generated by various static algorithms. Their packing fraction varies from 0.370 up to 0.593. These aggregates are shown to be based on two types…
Determining the number of clusters present in a dataset is an important problem in cluster analysis. Conventional clustering techniques generally assume this parameter to be provided up front. %user supplied. %Recently, robustness of any…
We conduct a numerical investigation of structural order in the shifted-force Lennard-Jones system by calculating metrics of translational and bond-orientational order along various paths in the phase diagram covering equilibrium solid,…
We investigate the equilibrium geometries and the systematics of bonding in various isomers of a 24-atom boron cluster using Born-Oppenheimer molecular dynamics within the framework of density functional theory. The isomers studied are the…
Complex crystal structures are composed of multiple local environments, and how this type of order emerges spontaneously during crystal growth has yet to be fully understood. We study crystal growth across various structures and along…
Recently, Locatelli and Schoen proposed a transformation of the potential energy that aids the global optimization of Lennard-Jones clusters with non-icosahedral global minima. These cases are particularly difficult to optimize because the…
The Euclidean k-means problem is arguably the most widely-studied clustering problem in machine learning. While the k-means objective is NP-hard in the worst-case, practitioners have enjoyed remarkable success in applying heuristics like…
The phase diagram of binary mixtures of particles interacting via a pair potential of parallel dipoles is computed at zero temperature as a function of composition and the ratio of their magnetic susceptibilities. Using lattice sums, a rich…
We have performed molecular dynamics simulations on the formation of mixed molecular clusters of buckminsterfullerene and coronene, $(\mathrm{C}_{24}\mathrm{H}_{12})_n(\mathrm{C}_{60})_{N-n}$. We report on our findings on the structures and…
We study combinatorial configurations with the associated point and line graphs being strongly regular. Examples not belonging to known classes such as partial geometries and their generalizations or elliptic semiplanes are constructed.…
We model the stabilization of clusters and lattices of cuboidal particles with long-ranged magnetic dipolar and short-ranged surface interactions. Two realistic systems were considered: one with magnetization orientated in the [001]…
We introduce a new class of self-sustained states, which may exist as single solitons or form multisoliton clusters, in driven passive cylindrical microresonators. Remarkably, such states are stabilized by the radiation they emit, which…
The dense packing of interacting particles on spheres has proved to be a useful model for virus capsids and colloidosomes. Indeed, icosahedral symmetry observed in virus capsids corresponds to potential energy minima that occur for magic…
With better statistics and precision, eccentricity could prove to be a useful tool for understanding the origin and environment of binary black holes. Hierarchical triples in particular, which might be abundant in globular clusters and…
It was recently shown, that in a class of tensor-multi-scalar theories of gravity with a nontrivial target space metric, there exist scalarized neutron star solutions. An important property of these compact objects is that the scalar charge…
While the parameters of atomic nuclei, Z and A, indicate a general structural pattern for the nuclei, their exact masses in their fine differences seem not to exhibit the orderly kind of logical system that systematic and orderly nature…
We apply a recently introduced method for global optimization to determine the ground state energy and configuration for model metallic clusters. The global minimum for a given N-atom cluster is found by following the damped dynamics of the…
Dissociation and fission of small neutral, singly and doubly charged strontium clusters are studied by means of ab initio density functional theory methods and high-resolution time-of-flight mass spectrometry. Magic numbers for small…
Isorotating ${\mathbb C}P^2$ Q-solitons in $2+1$ dimensions were studied. Hamiltonian formalism as a more physically meaningful yet fairly demanding approach was adopted during the investigation, which helped to exclude unobservable…