MOLECULAR DYNAMICS STUDY OF SLIDING MECHANISMS OF NI, AMORPHOUS NI-P AND NANOCRYSTALLINE NI FILMS

AI Dmitriev and AY Nikonov and W Osterle, V INTERNATIONAL CONFERENCE ON PARTICLE-BASED METHODS - FUNDAMENTALS AND APPLICATIONS (PARTICLES 2017), 778-786 (2017).

In the paper by using molecular dynamics method we investigate the sliding feature of different nano-scale specimens: single-crystal nickel evolving from amorphous pure Ni during shear deformation, Ni-P a layer and nanocrystalline nickel. Special attentions are paid to the value of resistance stresses and plastic deformation mechanisms manifested during sliding simulations. The study is performed at an ambient temperature. The analysis showed that Ni-P amorphous structure is characterized by lowest resistance stresses and smooth sliding provided by the bond- switching mechanism between pairs of atoms due to shear loading. Similar low resistance stress was also observed for an amorphous pure Ni layer, but only at an early stage of sliding before crystallization occurred. The highest shear resistance was confirmed for single-crystal nickel caused by classical deformation mechanisms like stacking fault formation and dislocation movement. Sliding simulations of a nanocrystalline specimen show both, crystal defect driven deformation in the bulk and sliding along quasi amorphous grain boundaries. Thus, it was shown that nickel-phosphorous coating in amorphous-like state may exhibit low friction properties, and, therefore, serve as the solid lubricant material.

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