Models Dislocation Dynamics simulations

At the microscale, dislocation dynamics simulations implement the equations of continuum elasticity theory to track the motion and interaction of individual dislocations under an applied stress, leading to the development of a dislocation microstructure and single-crystal plastic deformation. In our multiscale modeling... 

Preliminary Dislocation Dynamics (DD) simulations using the model developed by Verdier et al. provide a plausible scenario for the dislocation patterning occuring during the deformation of ice single crystals based on cross-slip mechanism. The simulated dislocation multiplication mechanism is consistent with the scale invariant pattemings observed experimentally. 

The method of dislocation dynamics (DD) intends for the modeling of dislocation-based plastic deformation in crystals. It is in the same spirit as atomistic MD simulations, but instead of int aring the equations of motion of particles, it considers evolution of dislocation lines. Modeling these dislocations and their evolution and growth can, in principle, be performed at the atomic scale, but very large numbers need to be modeled to determine their influence at the macroscopic level. 

The calculations were carried out in the framework of the model of point defect dynamics, i.e., for the same crystals with the same parameters as in already the classical work on the simulation of microvoids and interstitial dislocation loops (A-microdefects) (Kulkarni et al., 2004). According to the analysis of the modern temperature fields used when growing crystals by the Czochralski method, the temperature gradient was taken to be G = 2.5 K/ mm (Kulkarni et al., 2004). The simulation was performed for crystals 150 mm in diameter, which were grown at the rates Vg = 0.6 and 0.7 mm/ min. These growth conditions correspond to the growth parameter Vg/ G >... 

The diffusion model of the formation grown-in microdefects provides the unity and adequacy of physical and mathematical modeling. This model simulates of the defect structure of dislocation-free silicon single crystals of any diameters. The model of point defects dynamics can be considered as component of the diffusion model for formation grown-in microdefects. The diffusion model allowed to create software for personal computer. With the help of software can be conducted analytical researches which replace the expensive experimental researches. 

---