Related papers: The Decmon-type Decahedral Motif In Metallic Nanop…
Single phase nickel-cobalt-titanate thin films with a formula A1+2xTi1-xO3, where A is Ni2+,Co2+ and -0.25<x<1, were grown by pulsed laser deposition on sapphire substrates. There is a large window in which both Ni/Co ratio and x can be…
The self-assembly of two-dimensional dodecagonal quasicrystal (DDQC) from patchy particles are investigated by Brownian dynamics simulations. The patchy particle has a five-fold rotational symmetry pattern described by the spherical…
The stability mechanism of cuboctahedral clusters in nonstoichiometric uranium dioxide is investigated by first-principles LSDA+U method. Calculations reveal that the structural stability is inherited from U6O12 molecular cluster whereas…
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…
We discover the detailed atomic structure of $d$-MgZnY, a stable decagonal quasicrystal alloy of the layered Frank-Kasper type, and related phases, using the "tiling and decoration" approach. The atoms have invariable sites in the rectangle…
To advance Thomson problem we generalize physical principles suggested by Caspar and Klug (CK) to model icosahedral capsids. Proposed simplest distortions of the CK spherical arrangements yield new-type trial structures very close to the…
We examine a novel mechanism for structure formation involving initial number density fluctuations between relativistic species, one of which then undergoes a temporary downward variation in its equation of state and generates…
Shape-controlled synthesis of multiply twinned nanostructures is heavily emphasized in nanoscience, in large part due to the desire to control the size, shape, and terminating facets of metal nanoparticles for applications in catalysis.…
The freezing of metal nanoclusters such as gold, silver, and copper exhibits a novel structural evolution. The formation of the icosahedral (Ih) structure is dominant despite its energetic metastability. This important phenomenon, hitherto…
Carbon is the most important chemical element and the theoretical study of its new allotropes can be of great interest. In this study, regular dodecahedron (dodecahedrane) oligomers (n = 1, 3, 5, 7, 9, 11, 13) by extending the dodecahedrane…
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…
Icosahedral Au clusters with three and four shells of atoms are found to deviate significantly from the commonly assumed Mackay structures. By introducing additional atoms in the surface shell and creating a vacancy in the center of the…
In this work, we present large-scale electron-correlated computations on various conformers of B$_{12}$H$_{12}$ and B$_{12}$H$_{6}$ clusters, to understand the reasons behind the high stability of di-anion icosahedron ($I_{h}$) and…
A novel meshing scheme, based on regular tetra-kai-decahedron, also referred to as truncated octahedron, cells is presented for use in spatial topology optimization. A tetra-kai-decahedron mesh ensures face connectivity between elements…
The influence of morphology on the optical properties of silver nanoparticles is studied. A general relationship between the surface plasmon resonances and the morphology of each nanoparticle is established. The optical response is…
We consider three-dimensional reshaping of a thin nematoelastic film upon nematic-isotropic transition in the field of a charge one topological defect, leading to either cone or anticone (d-cone) shells. The analysis is based on the…
By means of density functional theory (DFT) and the generalized gradient approximation (GGA) we present a structural, electronic and magnetic study of FePt, CoPt, FeAu and FePd based L1$_0$ ordered cuboctahedral nanoparticles, with total…
It is shown that there exists a charge five monopole with octahedral symmetry and a charge seven monopole with icosahedral symmetry. A numerical implementation of the ADHMN construction is used to calculate the energy density of these…
We modify the theory of nanoscale patterns produced by ion bombardment with concurrent impurity deposition to take into account the effect that the near-surface impurities have on the collision cascades. As the impurity concentration is…
We investigated the complete thermodynamic cycle of aluminium nanoparticles through classical molecular dynamics simulations, spanning a wide size range from 200 atoms to 11000 atoms. The aluminium-aluminium interactions are modelled using…