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We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prates-Ramalho up to N=105. These minima are based on icosahedral packing up to N=15, but above this size the lowest-energy structures are…
We study random sequential adsorption (RSA) of a class of solids that can be obtained from a cube by specific cutting of its vertices, in order to find out how the transition from tetrahedral to octahedral symmetry affects the densities of…
Self-assembly of complex and functional materials remains a grand challenge in soft material science. Efficient assembly depends on a delicate balance between thermodynamic and kinetic effects, requiring fine-tuning affinities and…
Quartic spectrahedra in 3-space form a semialgebraic set of dimension 24. This set is stratified by the location of its ten nodes. There are twenty maximal strata, identified recently by Degtyarev and Itenberg, via the global Torelli…
More than 100 excited states of the Calcium-40 nucleus, with isospin 0, are classified into rotational-vibrational bands of an intrinsic tetrahedral structure. Almost all observed states below 8 MeV can be accommodated, as well as many…
We numerically study structural properties of mechanically stable packings of hard spheres (HS), in a wide range of packing fractions $0.53 \le \phi \le 0.72$. Detailed structural information is obtained from the analysis of orientational…
The global minima of clusters bound by a Dzugutov potential form non-compact polytetrahedral clusters mainly composed of interpenetrating and face-sharing 13-atom icosahedra. As the size increases, these icosahedral units first form linear…
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…
The self-assembly of hard polyhedral particles confined to a flat interface is studied using Monte Carlo simulations. The particles are pinned to the interface by restricting their movement in the direction perpendicular to it while…
The average distance of the equal hard spheres is introduced to evaluate the density of a given arrangement. The absolute smallest value is two radii because the spheres can not be closer to each other than their diameter. The absolute…
A stable core-shell structure with Ih symmetry, Au12@Au30, has been investigated by first-principles calculations. It is composed of an icosahedron core and an icosidodecahedron shell. The stability of the core-shell Au42 structure is…
In a seminal paper Caspar and Klug established a theory that provides a family of polyhedra as blueprints for the structural organisation of viral capsids. In particular, they encode the locations of the proteins in the shells that…
For a finite subset $X$ of the $d$-dimensional unit sphere, the harmonic strength $T(X)$ of $X$ is the set of $\ell\in \mathbb{N}$ such that $\sum_{x\in X} P(x)=0$ for all harmonic polynomials $P$ of homogeneous degree $\ell$. We will study…
We propose and investigate an extension of the Caspar-Klug symmetry principles for viral capsid assembly to the programmable assembly of size-controlled triply-periodic polyhedra, discrete variants of the Primitive, Diamond, and Gyroid…
We present a new complementary strategy to quasicrystalline structure determination: The local atomic structure of simple icosahedral (si) Ho11Mg15Zn74 [a(6D)=5.144(3)A] in a sphere of up to r=17A was refined using the atomic pair…
Colloidal suspensions have long been studied as a model for atomic and molecular systems, due to the ability to fluorescently label and individually track each particle, yielding particle-resolved structural information. This allows various…
Many viruses rely on the self-assembly of their capsids to protect and transport their genomic material. For many viral systems, in particular for human viruses like hepatitis B, adeno or human immunodeficiency virus, that lead to…
We investigate the internal structure of clusters of galaxies in high-resolution N-body simulations of 4 different cosmologies. There is a higher proportion of disordered clusters in critical-density than in low-density universes, although…
Retaining the combinatorial Euclidean structure of a regular icosahedron, namely the 20 equiangular (planar) triangles, the 30 edges of length 1, and the 12 different vertices together with the incidence structure, we investigate variations…
Self-organized complex structures in nature, e.g. viral capsids, hierarchical biopolymers, and bacterial flagella, offer efficiency, adaptability, robustness, and multi-functionality. Can we program the self-assembly of three-dimensional…