PSI - Issue 39

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Larisa Stepanova et al. / Procedia Structural Integrity 39 (2022) 748–760 Author name / Structural Integrity Procedia 00 (2019) 000–000

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Fig. 8: Selection of points taken from MD simulation at different distances from the crack tip (Mixed Mode loading). The results of MD modelling and comparison of the asymptotic solution of continuum fracture mechanics and the atomistic stress distributions are shown in Fig. 9. The red points correspond to the MD simulations whereas the blue dotted line shows the truncated Williams series expansion (1). Fig. 9 shows the angular distribution of stress components for different values of the mixity parameters. The rows a) and b) show the angular distributions of stresses for 0.33 e M = , the row c) shows the angular distributions 0.66 e M = at 15 ps, the rows d) and e) show the angular distribution at 10ps and 15 ps respectively.