DISLOCATIONS INFLUENCE ON DURABILITY OF NANOSYSTEMS: AN ATOMIC SCALE SIMULATION
Using a quantum-mechanical computer approach (the theory of the density functional and the method of pseudopotentials) formation of dislocations in nanosystems of various nature (Si as a material with covalent bonds and Mg as a typical metal) and their influence on reaction of nanosystems on surface stretching is investigated. It is shown that mechanisms of formation of dislocations in nanosystems with metal and covalent bonds significantly differ each from other. Dislocations poorly influence nanosystems durability at small deformations, but they promote their destruction at big deformations