Related papers: Statistical analysis of Ni nanowires breaking proc…
In a recent Letter, Nakamura et al. [Phys. Rev. Lett. 82, 1538 (1999)] described first principles calculations for a breaking Na nanocontact. Their system consists of a periodic one-dimensional array of supercells, each of which contains 39…
Superconducting properties of metallic nanowires can be entirely different from those of bulk superconductors because of the dominating role played by thermal and quantum fluctuations of the order parameter. For superconducting wires with…
Molecular dynamics simulations are used to study the spreading of binary polymer nanodroplets in a cylindrical geometry. The polymers, described by the bead-spring model, spread on a flat surface with a surface-coupled Langevin thermostat…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
Solid cylindrical nanowires are vulnerable to a Rayleigh-Plateau-type morphological instability. The instability results in a wire breakup, followed by formation of a chain array of spherical nanoparticles. In this paper, a base model of a…
The influence of the macroscopic size of the Ni nanowire array system on their remanence state has been investigated. A simple magnetic phenomenological model has been developed to obtain the remanence as a function of the magnetostatic…
The dynamical electric behavior of a NiTi smart alloy thin filament when driven by time varying current pulses is studied by a structure-based phenomenological model that includes rate-based effects. The simulation model relates the alloy's…
The thermal degradation of a graphene-like two-dimensional triangular membrane with bonds undergoing temperature-induced scission is studied by means of Molecular Dynamics simulation using Langevin thermostat. We demonstrate that the…
The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…
The kinetics of main physical processes controlling the growth of nanowires (NW) via evolution pass " vapor-liquid-solid" is considered. The roles of the thermodynamics and kinetics of cluster nucleation in the initial stage of NW formation…
Understanding nanomechanical response of materials represents a scientific challenge. Here, we have used in-situ electron microscopy to reveal drastic for the first time changes of structural behavior during deformation of 1-nm-wide metal…
The mobility of p-type nanowires (NWs) of diameters of D=12nm down to D=3nm, in [100], [110], and [111] transport orientations is calculated. An atomistic tight-binding model is used to calculate the NW electronic structure. Linearized…
A 20-band sp3d5s* spin-orbit-coupled, semi-empirical, atomistic tight-binding model is used with a semi-classical, ballistic, field-effect-transistor (FET) model, to examine the ON-current variations to size variations of [110] oriented…
Epitaxially grown heterogeneous nanowires present dislocations at the interface between the phases if their radius is big. We consider a corresponding variational discrete model with quadratic pairwise atomic interaction energy. By…
High-shear methods have long been used in experiments to refine grain structures in metals, yet the underlying mechanisms remain elusive. We demonstrate a refinement process using molecular dynamic simulations of iron, wherein…
In this letter we report electrical transport measurements on nickel nanowires of diameters down to 20 nm in the region close to its paramagnetic-ferromagnetic transition temperature T_C (reduced temperature|t| less than or equal to 0.001).…
Soon after the first measurements of nuclear magnetic resonance (NMR) in a condensed matter system, Bloch predicted the presence of statistical fluctuations proportional to $1/\sqrt{N}$ in the polarization of an ensemble of $N$ spins. First…
Atomic scale nanowires attract enormous interest in a wide range of fields. On the one hand, due to their quasi-one-dimensional nature, they can act as a experimental testbed for exotic physics: Peierls instability, charge density waves,…
Experimental conductance histograms built from several thousand successive breakings of sodium nanowires exhibit peaks up to rather high conductance values (100 x 2e^2/h). In this paper, we present results from a disordered free-electron…
The ballistic performance of electron transport in nanowire transistors is examined using a 10 orbital sp3d5s* atomistic tight-binding model for the description of the electronic structure, and the top-of-the-barrier semiclassical ballistic…