Strength of Ta–Si interfaces by molecular dynamics

Influence of defects on mechanical properties of bicrystal copper grain boundary interfaces

“…Atomistic simulation serves as a powerful tool for exploring potential relationships between interface structure and interfacial failure mechanisms at the nanoscale. Molecular dynamics (MD) simulations with the embedded atom method 0022-3727/08/135304+12$30.00 (EAM) were used to study the energy, microstructure and shear strength of Cu-Ta and Ta-Si interfaces at the nanoscale [13,14].…”

Development in Mechanics Research of Diamond Coatings/WC Interface Based on Molecular Dynamics Simulation

“…The maximum tensile stress is 27% larger than the maximum shear stress, the stress-strain curve obtained by simulation and the experiment results are in good agreement [4] Adhesive strength of Ta/Si interface shearing The interface strength is maximum when initial crystal orientation of Si is [100] and minimum when initial crystal orientation of Si is [111] [5] Adhesive strength of ZnO/graphite carbon interface stretching The energy of ZnO/graphite interface is 0.303J/m 2 , which is in accordance with the 0.261 ± 0.054J/m 2 measured by atomic force microscopy (AFM) [6] Domestic researchers applied it to study mechanical properties of film-substrate interface with the development of molecular dynamics and have made varieties achievements, the specific research methods and conclusions are shown in Table 2. stretching In the area of low strain rate, elastic modulus does not change mainly ,but in the high strain rate zone, the elastic modulus increases with strain rate increases [7] Mechanical properties of DLC film indentation When the hydrogen content in the film increases to 39%, the mechanical properties of the film significantly improve and descend if hydrogen content further increase [8] 42 Applied Material Science and Related Technologies Mechanical properties of Si 3 N 4 /DLC interface indentation The larger the film density, the stronger its compressive deformation; the greater the film thickness, the weaker its compressive deformation; the greater the Si 3 N 4 hardness, the stronger the film compressive deformation [9] Mechanical properties of Carbon Nanotube / Gold interface stretching Young's Modulus of the interface with parallel carbon nanotubes embedded is much larger than the single crystal gold; Young's Modulus of the interface with vertical carbon nanotubes embedded is little smaller than the single crystal gold [10] As shown in Table 1, Table 2, molecular dynamic simulation has been widely carried out to study the mechanical properties of interface and great achievements have been made.…”

Enhanced densification under shock compression in porous silicon

“…Yamaghishi et al [28] used it to study surface reconstructions in silicon. Heino [29] used it to study strength at interfaces. Badis et al [21] used it in a study of silicon's more exotic high-pressure crystal structures.…”