Related papers: The Decmon-type Decahedral Motif In Metallic Nanop…
Computer simulations suggest that ultrathin metal wires should develop exotic, non-crystalline stable atomic structures, once their diameter decreases below a critical size of the order of a few atomic spacings. The new structures, whose…
Directional media, such as nematic liquid crystals and ferromagnets, are characterized by their topologically stabilized defects in directional order. In nematics, boundary conditions and surface-treated inclusions often create complex…
We explore magnetic field effects on the nuclear matter based on the skrymion crystal approach for the first time. It is found that the magnetic effect plays the role of a catalyzer for the topological phase transition (topological…
We show how standard Metadynamics coupled with classical Molecular Dynamics can be successfully ap- plied to sample the configurational and free energy space of metallic and bimetallic nanopclusters via the implementation of collective…
The fully halogenated or hydrogenated B12X12 (X = H, F, Cl, Br and I) clusters are confirmed to be icosahedral. On the other hand, the bare B12 cluster is shown to have a planar structure. A previous study showed that a transformation from…
We study (anti)deuteron formation rates in heavy-ion collisions in the framework of a wave-function based coalescence model. The main feature of our model is that nucleons are emitted from the whole spherically symmetric fireball volume,…
The relaxation dynamics of glass-forming systems shows a multitude of features that are absent in normal liquids, such as non-exponential relaxation and a strong temperature-dependence of the relaxation time. Connecting these dynamic…
We study the properties of the nuclear rotational excitations with hypothetical tetrahedral symmetry by employing the microscopic mean-field and residual-interaction Hamiltonians with angular-momentum and parity projection method; we focus…
In this work the problem of characterizing matrix material structure from embedded electron spin decoherence is studied both theoretically and experimentally. Theoretical calculation using nuclear spin bath model and cluster correlation…
We present and discuss an algorithm to identify and characterize the long icosahedral structures (staggered pentagonal nanowires with 1-5-1-5 atomic structure) that appear in Molecular Dynamics simulations of metallic nanowires of different…
Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric constant. However, most conventional crystal structure…
We argue that 2D dodecagonal spherical quasicrystalls (QCs) will be discovered in the nearest future and investigate how the planar QC order becomes compatible with the spherical geometry. We show that the appearance of curvature-induced…
We have carried out extensive density functional calculations for series of sodium clusters $Na$$_{N}$ ranging from $N$=10 to 147 and have obtained $\approx$ 13000 distinct isomers. We unravel a number of striking features of the growth…
Recently there has been considerable interest in the properties of carbon nanotori. Such nanotori can be parametrized according to their radii, their chiralities, and the twists that occur upon joining opposite ends of the nanotubes from…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
We provide a minimal continuum model for mesoscale plasticity, explaining the cellular dislocation structures observed in deformed crystals. Our dislocation density tensor evolves from random, smooth initial conditions to form self-similar…
The assembly of colloidal cubic diamond is a challenging process since the shape and interaction parameters and the thermodynamic conditions where this structure is stable are elusive. The simultaneous use of shape-anisotropic particles and…
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, amorphous carbon (a-C), ``amorphous diamond'' and…
A fascinating feature of metallic glasses is their ability to explore different configurations under mechanical deformations. This effect is usually observed through macroscopic observables, while little is known on the consequence of the…
With suitably designed Monte Carlo simulations we have investigated the properties of mobile, impenetrable, yet deformable particles that are immersed into a porous matrix, the latter one realized via a frozen configuration of spherical…