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The effects of tool rake angle and workpiece surface roughness on the cutting mechanism and mechanics of Cu are studied using quasi-continuum simulations. These effects are investigated in terms of...

The effects of microstructure and loading mode on the mechanical properties of Au nanowires (NWs) are studied using molecular dynamics simulations based on the many-body embedded-atom potential. Th...

The effects of the constituting material and an interfacial crack on the deformation and mechanical response of metallic bilayer films under tension are studied using quasi-continuum simulations in...

The effects of temperature and size on the welding of Au nanowires (NWs) into T junctions is studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. Simulation results show that when the top NW approaches the bottom one, it elongates towards the bottom one just before welding due to the interaction of the van der Waals attractive force. During welding, the bottom NW gradually reaches critical bend deformation through successive pressure applied from the top one, followed by buckling of the top NW. The structural order of NWs significantly decreases with increasing welding temperature or decreasing NW width. Welding at high temperatures (700 K or above) causes alignment difficulty due to an unstable NW geometry or even welding failure due to a decrease in NW length. Smaller NWs have larger stress during the welding process.

The mechanism of welding of Au–Au, Ag–Ag and Au–Ag nanowires (NWs) with head-to-head contact is studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The effect of temperature in the range of 300–900 K is investigated. Simulation results show that at the initial welding, an incomplete jointing area forms through the interactions of the van der Waals attractive force, and that the jointing area increases with increasing the extent of contact between the two NWs during the welding process and temperature. Few defects form along the (1 1 1) close-packed plane during the welding process because the acting stress is quite low. Among the three NW pairs, the Au–Au NWs have the best cold-welding quality, whereas the Au–Ag NWs have the worst cold-welding quality due to the welding of different materials. With an increase in temperature, the weld stress and the mechanical strength of the NWs significantly decrease, and the number of disordere...

The nanoscale milling and scratching processes of copper workpieces are studied using molecular dynamics simulations based on the tight-binding and Morse potentials. The effects of the rotation velocity of the tool and the workpiece temperature are evaluated in terms of atomic trajectories, slip vectors, flow field of chips, cutting forces and groove characteristics. The simulation shows that a slip system in the ⟨110⟩ direction on the workpiece surface occurs for milling with a tool rotation velocity of ω = 0°/fs. However, no apparent slip system appears for ω = 0.005°/fs or higher; instead, the number of amorphous areas increases. At ω = 0°/fs (nanoscratching), most of the removed atoms pile up in front of the tool and some gradually backfill when the tool rotates due to the effects of rotational friction and adhesion between the tool and the removed atoms. The largest number of removed atoms that piled up in front of the tool were obtained for milling with ω = 0°/fs; the number of removed atoms that pi...

The plastic response of perfect face-centred cubic single-crystal aluminium (Al) nanowires (NWs) under torsion is studied using molecular dynamics simulations. The Al–Al interaction is described by the many-body tight-binding potential. The effects of the crystal orientation and aspect ratio of the NWs on their deformation are evaluated in terms of atomic trajectories, potential energy, a centrosymmetry parameter and the torque required for deformation. Simulation results clearly show that for NWs, regardless of crystal orientation, dislocations nucleate and propagate on the (1 1 1) close-packed plane. In a NW under torsion, dislocations begin at the surface, extend to the interior along the (1 1 1) close-packed plane and finally diffuse to the middle part. A 〈1 1 0〉-oriented NW has the lowest required torque for deformation due to the occurrence of homogeneous deformation. The mechanism of the plastic response of an Al NW depends on its crystal orientation. For a long NW, geometry instability occurs befo...