Abstract
Non‐equilibrium Molecular Dynamics (NEMD) simulations of a stretched Lennard‐Jones (LJ) model single crystal nanowire with square cross‐section are carried out. The microstructural and mechanical properties are examined as a function of strain and strain rate. The instantaneous Poisson's ratio and Young's modulus are shown to be strongly time (strain) dependent from the start of the pulling process. The structural transformation as a result of straining initially involves the (100) layers moving further apart and then slipping at ca. when the shear slip stress along that direction is about 1% of the shear modulus, which is typical of plastic deformation of noble gas solid crystals, and in accordance with Schmid's law.
Highlights
The elastic properties of crystalline and polycrystalline than those on the macroscopic scale, in part because the natural frequency scales as $ mÀ1=2 where m is the mass of the device element
The atomic-scale structure of the model nanowire at various stages in the pulling process implemented by Nonequilibrium Molecular Dynamics (NEMD) is presented
The reason why having a stage II in the simulation procedure is necessary is illustrated in Figure 4, which shows the pressure component, Pzz as a function of time in stage III obtained from the Method of Planes (MOP) method for four xy-planes spaced in the z-direction
Summary
The elastic properties of crystalline and polycrystalline than those on the macroscopic scale, in part because the natural frequency scales as $ mÀ1=2 where m is the mass of the device element. In recent years the remit of this field has tension are Poisson’s ratio, v,[5] and Young’s modulus, E. broadened to include metallic nanowires which are used in Poisson’s ratio is informative as it is a direct and miniaturized electronic and micro-machine (MEMS) devices[2] visible indicator of the nature of the deformation of the wire on. Large stretching deformation behavior of a single molecule, such as surface-to-volume ratios and other scale effects can cause the DNA.[6] It is usually derived from strain rates that are mechanical response to straining of materials of nano infinitesimal on a molecular scale.
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