Related papers: Size-Sensitive Young's modulus of Kinked Silicon N…
The Young\'s modulus of a nylon string has been determined experimentally by combining elasticity theory and wave optics. A diffraction experiment has been setup to determine the change in the string diameter for different tensile forces…
By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…
The Young's modulus $E$ is the key mechanical property that determines the resistance of solids to tension/compression. In the present work, the correlation of the quantity $E$ with such characteristics as the total molar mass $M$ of alloy…
The intrinsic mechanical strength of single-walled carbon nanotubes (SWNTs) within the diameter range of 0.3-0.8 nm has been studied based on ab initio density functional theory calculations. In contrast to predicting "smaller is stronger…
The complete energy expression of a deformed single-walled carbon nanotube (SWNT) is derived in the continuum limit from the local density approximation model proposed by Lenosky {\it et al.} \lbrack Nature (London) {\bf 355}, 333…
Nonlinear elastic theory studies the elastic constants of a material (such as Young's modulus or bulk modulus) as a power series in the applied load. The inverse bulk modulus K, for example depends on the compression P: $ {1/ K(P)} = c_0 +…
We predict various detectable mechanical responses to the presence of local DNA defects which are defined as short DNA segments exhibiting mechanical properties obviously different from the 50 nm persistence length based semiflexible…
Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of…
The influence of pre-strain and temperature on the superior properties exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are investigated via molecular dynamics simulations. To this end, a new Nb-Ni-Ti ternary…
A computational and experimental approach based on a natural vibration of a free prismatic thick beam with square cross-section is suggested. Three variants of the beam sample were used (one with skin and two without skin). From 13 to 16…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, screened hybrid and local density functionals as a function…
Anisotropic two-dimensional layered materials with low-symmetric lattices have attracted increasing attention due to their unique orientation-dependent mechanical properties. Black arsenic (b-As), with the puckered structure, exhibits…
Silicon nanowires (SiNWs) attached to a wafer substrate are converted to inversely tapered silicon nanocones (SiNCs). After excitation with visible light, individual SiNCs show a 200-fold enhanced integral band-to-band luminescence as…
Silicon nanowires (SiNWs) are known to exhibit large piezoresistance (PZR) effect, making it suitable for various sensing applications. Here, we report the results of a PZR investigation on randomly distributed and interconnected vertical…
We calculate the resistance and mean free path in long metallic and semiconducting silicon nanowires (SiNWs) using two different numerical approaches: A real space Kubo method and a recursive Green's function method. We compare the two…
In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be…
The geometrical and electronic structure properties of $<100>$ and $<110>$ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali…
Hexagonal [0001] nonpassivated ZnO nanowires are studied with density functional calculations. The band gap and Young's modulus in nanowires which are larger than those in bulk ZnO increase along with the decrease of the radius of…
The potential of silicon nanowires (SiNWs), (diameter < 10 nm) to transform into rigid bundle-like structures with distinct phonon confinement under high pressure (<= 15 GPa), instead of amorphising as per previous reports, is demonstrated…