相关论文: Surface Orientation Strengthening in Metallic Nano…
We study by means of density-functional calculations the role of lateral surface reconstructions in determining the electrical properties of <100> silicon nanowires. The different lateral reconstructions are explored by relaxing all the…
Using concepts from fluid dynamics, a partial differential equation for the shape evolution of a metallic nanowire is derived from a semiclassical energy functional that includes electron-shell effects. A rich dynamics, involving movement…
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…
When a macroscopic metallic wire is subject to tensile stress, it necks down smoothly as it elongates. We show that nanowires with radii comparable to the Fermi wavelength display remarkably different behavior. Using concepts from fluid…
We have analyzed the atomic arrangements and quantum conductance of silver nanowires generated by mechanical elongation. The surface properties of Ag induce unexpected structural properties, as for example, predominance of high aspect ratio…
We find that, in the mesoscopic regime, modification of the material's surface can induce an extensive change of the material's magnetic moment. In other words, perturbation of order $N^2$ atoms on the surface of a 3-dimensional solid can…
Recent experiments showed that the robust charge-ordering in manganites can be weakened by reducing the grain size down to nanoscale. Weak ferromagnetism was evidenced in both nanoparticles and nanowires of charge-ordered manganites. To…
Deformation properties of multi-wall gold nanowires under compressive loading are studied. Nanowires are simulated using a realistic many-body potential. Simulations start from cylindrical fcc(111) structures at T=0 K. After annealing…
As circuitry approaches single nanometer length scales, it is important to predict the stability of metals at these scales. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if…
We report phenomenal yield strengths, up to one fourth of the theoretical strength of silver, recorded in microcompression testing of initially dislocation free silver micro and nanocubes synthesized from a multistep seed growth process.…
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…
Nanopatterned FePt nano-dots often exhibit low coercivity and a broad switching field distribution, which could arise due to edge damage during the patterning process causing a reduction in the $L1_{0}$ ordering required for a high…
Friction force acting on silver and nickel nanoparticles sheared on a graphene sheet in different lateral directions is investigated using classical molecular dynamics simulations. The results reveal the existence of frictional anisotropy…
Cobalt nanowires with a diameter in the range between 50 to 100nm can be prepared as single-crystal wires with the easy axis (the c-axis) perpendicular to the wire axis. The competition between the crystal anisotropy and demagnetization…
The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is…
The properties of inorganic nanomaterials in adsorption, catalysis, and photoluminescence are commonly affected or dominated by particle size, surface ligand, and ligand coverage; however, it has been long remaining challenging to generally…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
Controlling magnetic order on ultrafast timescales, driven by spintronic and recording applications, is one of the main directions of current research in magnetism. Despite major advances in understanding the temporal evolution of magnetic…
Interactions between an edge dislocation and a void in copper are investigated by means of molecular dynamics simulation. The depinning stresses of the leading partial and of the trailing partial show qualitatively different behaviors. The…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…