In this work, three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviour of single crystal Ni. The substrate indenter system is modelled using hybrid interatomic potentials including the manybody potential (embedded atom method) and two-body Morse potential. The spherical indenter is chosen, and the simulation is performed for different loading rates from 10 m/s to 200 m/s. Results show that the maximum indentation load and hardness of the system increase with the increase of velocity. The effect of indenter size on the nanoindentation response is also analysed. It is found that the maximum indentation load is higher for the large indenter whereas the hardness is higher for the smaller indenter. Dynamic nanoindentation is carried out to investigate the behaviour of Ni substrate to multiple loading-unloading cycles. It is observed from the results that the increase in the number of loading unloading cycles reduces the maximum load and hardness of the Ni substrate. This is attributed to the decrease in recovery force due to defects and dislocations produced after each indentation cycle.

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In the present work, a three-dimensional molecular dynamics simulation is carried out to perform the nanoindentation experiment on Ni single crystal. The substrate indenter system is modeled using hybrid interatomic potentials including the many-body potential embedded atom method (EAM), and two-body morse potential. To simulate the indentation process, a spherical indenter (diameter = 80 Å, 1 Å=0.1 nm) is chosen. The results show that the mechanical behaviour of a monolithic Ni is not affected by crystalline orientation. To elucidate the effect of a heterogeneous interface, three bilayer interface systems are constructed, namely Ni(100)/Cu(111), Ni(110)/Cu(111), and Ni(111)/Cu(111). The simulations along these systems clearly describe that mechanical behaviour directly depends on the lattice mismatch. The interface with the smaller mismatch between the specified crystal planes is proved to be harder and vice versa. To describe the relationship between film thickness and interface effect, we choose various values of film thickness ranging from 20 Å to 50 Å to perform the nanoindentation experiment. It is observed that the interface is significant only for the relatively small thickness of film and the separation between interface and the indenter tip. It is shown that with the increase in film thickness, the mechanical behaviour of the film shifts more toward that of monolithic material.

In the present work, three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviors of CuZr Bulk metallic glasses (BMGs). The substrate indenter system is modeled using hybrid interatomic potentials including both many-body Finnis Sinclair (FS) and two-body Morse potentials. A spherical rigid indenter (diameter = 60 Å(1 Å = 10−10 m)) is employed to simulate the indentation process. Three samples of BMGs including Cu25Zr75, Cu50Zr50, and Cu75Zr25 are designed and the metallic glasses are formed by rapid cooling from the melt state at about 2000 K. The radial distribution functions are analyzed to reveal the dynamical evolution of the structure of the atoms with different compositions and different cooling rates. The mechanical behavior can be well understood in terms of load-depth curves and Hardness-depth curves during the nanoindentation process. Our results indicate a positive linear relationship between the hardness and the Cu concentration of the BMG sample. To reveal the importance of cooling rate provided during the processing of BMGs, we investigate the indentation behaviors of Cu50Zr50 at three different quenching rates. Nanoindentation results and radial distribution function (RDF) curves at room temperature indicate that a sample can be made harder and more stable by slowing down the quenching rate.