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Based on first-principles calculations we showed that superlattices of periodically repeated junctions of hydrogen saturated silicon nanowire segments having different lengths and diameters form multiple quantum well structures. The band…
After making a cold weld by pressing two clean metal surfaces together, upon gradually separating the two pieces a metallic nanowire is formed, which progressively thins down to a single atom before contact is lost. In previous experiments…
We theoretically study the conformations of a helical semi-flexible filament confined to a flat surface. This squeezed helix exhibits a variety of unexpected shapes resembling circles, waves or spirals depending on the material parameters.…
Magnetic skyrmions are topologically stable spin swirls with particle-like character and potentially suitable for the design of high-density information bits. While most known skyrmion systems arise in noncentrosymmetric systems with…
We investigate morphologies of semiflexible polymer rings, such as circular DNA, which are adsorbed onto topographically or chemically structured substrate surfaces. We classify all equilibrium morphologies for two striped surface…
The equilibrium properties of isolated ring molecules were investigated using an off-lattice model with no excluded volume but with dynamics that preserve the topological class. Using an efficient set of long range moves, chains of more…
The properties of toroidal hyperheavy even-even nuclei and the role of toroidal shell structure are extensively studied within covariant density functional theory. The general trends in the evolution of toroidal shapes in the $Z\approx…
We report many different nano-structures which are formed when model nano-particles of different sizes (diameter {\sigma} n ) are allowed to aggregate in a background matrix of semi-flexible self assembled polymeric worm like micellar…
Microstructure and crystallography of {\delta} phase hydrides in as-received fine grain and 'blocky' alpha large grain Zircaloy-4 (average grain size ~11 {\mu}m and >200 {\mu}m, respectively) were examined using electron backscatter…
We consider electrons in tubular nanowires with prismatic geometry and infinite length. Such a model corresponds to a core-shell nanowire with an insulating core and a conductive shell. In a prismatic shell the lowest energy states are…
Topologically stable structures include vortices in a wide variety of matter, such as skyrmions in ferro- and antiferromagnets, and hedgehog point defects in liquid crystals and ferromagnets. These are characterized by integer-valued…
Multishell helical gold nanowires (HGNs) suspended between semi-infinite electrodes are found to exhibit peculiar electron-conduction properties by first-principles calculations based on the density functional theory. Our results that the…
Semiclassical analysis of the shell structure for a reflection-asymmetric deformed oscillator potential with irrational frequency ratio $\omega_\perp/\omega_z=\sqrt{3}$ is presented. Strong shell effects associated with bifurcations of…
The control of ice nucleation and growth is critical in many natural and engineering situations. Yet, very few compounds are able to interact directly with the surface of ice crystals. Ice-structuring proteins, found in certain fishes,…
The ground state of hemispherical permalloy magnetic shell is studied. There exist two magnetic phases: the onion state and the vortex one. The phase diagram is systematically analyzed in a wide range of geometrical parameters. Possible…
We study the phase behaviour of a quasi-two dimensional cholesteric liquid crystal shell. We characterise the topological phases arising close to the isotropic-cholesteric transition, and show that they differ in a fundamental way from…
We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
We investigate the interplay of geometric symmetry, size, and external magnetic fields in regulating individual skyrmion states within magnetic nanostructures. By analyzing nanodisks, nanosquares, and nanorectangles, we demonstrate that…
We extend the concept of natural orbitals as an optimized single-particle basis for ab initio nuclear many-body calculations to hypernuclei and show that their superior properties, in particular accelerated convergence and independence of…
Many jets exhibit twisted helical structures. Where superluminal motions are detected, jet orientation and pattern/flow speed are considerably constrained. In this case modeling efforts can place strong limits on conditions in the jet and…