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Numerical simulation of atomic positions in quantum dot by means of molecular statics
Arch. Mech. 55 (5-6), 393-406, 2003
Keywords: molecular simulations; stress analysis; nonlinear elasticity; molecular potential; Stillinger-Weber potential; finite element analysis
Abstract
Deformation of a crystal structure is considered here in terms of constitutive modelling based upon both the atomistic and continuum approaches. Atomistic calculations are made by using the Stillinger-Weber potential for the GaAs and CdTe structures. The stress-strain behaviour of the best-known anisotropic hyperelastic models are compared with the behaviour of the atomistic one in the uniaxial deformation test.