А Computer Simulation of Radiation-Induced Structural Changes and Properties of Multiperiod ZrNx/MoNx System

Abstract

Influence of the period value Λ (at different negative potential Ub that supplied during deposition) on phase composition, structure, stress-strain state and hardness of multiperiod coatings ZrNx/MoNx is investigated by using complex methods of validation structural state at combined with microindentation. Formation in layers ZrNx and MoNx the phases with cubic lattice and preferred orientation of crystallites with axis [100] is established. Stress-strain state of compression with increasing Ub is amplified and reaches maximum value (-6.7 GPa) at Λ  20 nm and Ub -110 V. Hardness of coating increases with decreasing Λ from 300 to 20 nm. Coatings that obtained with Λ  20 nm and Ub -110 V have the highest hardness 44 GPa. Relaxation of structural compressive stresses and decreasing hardness is happening at smaller Λ and larger Ub -110 V (as a result of radiation-stimulated forming defect and mixing). Data of computer modeling of defectiveness at atomic level at bombardment of ions that accelerated in field Ub are used to explain the results.

Mixing on the Boundaries of Layers of Multilayer Nanoperiod Coatings of the TiNх/ZrNх System: Simulation and Experiment

“…To study the macrostress-strain state, the method of multiple inclined surveys (sin 2 ψ method) was used [12].…”

“…To do this, we used a program based on the approximate method of double collisions, TRIM, which is based on the Monte Carlo method for describing the trajectory of the incident particle and the damage created by this particle. The TRIM program used the maximum exposure parameters determined by the density of the medium, the constant mean path between collisions [12] in the approximation of the formation scheme shown in Fig. 1.…”

“…As shown by studies in recent years, multiperiod composites are very promising as a material for solving this problem. In these materials, the phase boundaries between lay-ers provide relaxation of destruction concentrators preventing crack propagation [12].…”