相关论文: Tensile testing of cylindrical multi-shell Cu nano…

We describe a complete end-to-end simulation of the response of scintillator counters to charged particles. The counters were extruded with a titanium dioxide surface coating and two channels for the embedded wavelength-shifting fibers…

Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of silicon is investigated by molecular dynamics simulation with…

The recent advances in nanowire (NW) growth technology have made possible the growth of more complex structures such as core-multi-shell (CMS) NWs. We propose the approach for calculation of electron subbands in cylindrical CMS NWs within…

In contrast to many known results concerning periodic tilings of the Euclidean plane with pentagons, here tilings with rotational symmetry are investigated. A certain class of convex pentagons is introduced. It can be shown that for any…

Most measurements of compressive strength of ductile materials have involved Hopkinson-Kolsky bars or Taylor anvils placing samples in uniaxial compression. In these geometries strain is limited by the tendency of the sample to petal, in…

Metal meshes have emerged as an important class of flexible transparent electrodes. We report on the characteristics of a new class of asymmetric meshes, tiled using a recently-discovered family of pentagons. Micron-scale meshes were…

Molecular dynamics simulations on tensile deformation of initially defect free single crystal copper nanowire oriented in <001>{100} has been carried out at 10 K under adiabatic and isothermal loading conditions. The tensile behaviour was…

The tensile failure mechanism of Cu-Polyethylene-Cu (CPC) sandwich structure was clarified by molecular dynamics (MD) simulations subjected to a uniaxial tensile loading at microscopic scale. The sensitivity analysis of parameters such as…

Nanomechanical resonator-based sensing devices are used in medical diagnostics based on their high-frequency dynamic behavior. Cantilevers fall into the category of Nanomechanical resonators. It also resembles a resonator whose shape is…

The nature of the five-fold surface of Al(70)Pd(21)Mn(9) has been investigated using scanning tunneling microscopy. From high resolution images of the terraces, a tiling of the surface has been constructed using pentagonal prototiles. This…

A Lie theoretic interpretation is given to a pattern with five-fold symmetry occurring in aperiodic Penrose tiling based on isosceles triangles with length ratios equal to the Golden Section. Specifically a $B(\infty)$ crystal based on that…

Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…

Two-dimensional pentagonal structures based on the Cairo tiling are the basis of a family of layered materials with appealing physical properties. In this work we present a theoretical study of the symmetry-based electronic and optical…

The mechanisms of deformation and failure of Cu/Nb nanolaminates manufactured by accumulated roll bonding were analysed using in-situ TEM mechanical tests. Dog-bone small-scale tensile specimens were prepared using a FIB-based technique…

The temperature dependence of structural properties for infinitely long gold nanowires is studied. The molecular dynamics simulation method and the embedded-atom potential are used. The wires constructed at T=0 K with a face-centered cubic…

We simulate a series of model polymer composites, composed of linear polymer strands and spherical, monodisperse filler particles (FP). These molecular dynamics simulations implement a coarse-grained, bead-spring force field and we vary…

We have investigated the melting behavior of ultra-thin copper nanowires using classical molecular dynamics simulations. The caloric curves of cylindrical multi-shell copper nanowires showed an insight into the specific phase transition.…

This article deals with the multiscale modeling of stress transfer characteristics of nano-reinforced polymer composite reinforced with regularly staggered carbon fibers. The distinctive feature of construction of nano-reinforced composite…

Pentagon is one of the most beautiful geometric structures in nature, but it is rarely seen simply because five-fold symmetry is mathematically forbidden in a 2D or 3D periodic lattices. Fortunately, pentagon as a structural element is…

Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant…