ABSTRACT
This chapter elaborately includes the molecular dynamics (MD)-based study of the stress-strain behavior of nanoscale materials. In addition, the effect of strain rate, temperature, specimen size, and grain size of the nanocrystalline material on the tensile or compressive behavior is discussed. This chapter also illustrates the role of stacking fault energy, crystal structure, shape and size of the reinforcements, shear band formation, and different types of defects (vacancy and dislocation) in the structural evolution of nanomaterial subjected to external load. Underlying mechanism responsible for the deformation behavior of nanoscale materials is also explained here.
