PSI - Issue 37

Larisa Stepanova et al. / Procedia Structural Integrity 37 (2022) 900–907 Author name / Structural Integrity Procedia 00 (2019) 000 – 000

906

7

d)

e)

Fig. 7. a) angular distributions of stresses for

0.33 obtained for the ring area with the inner radius 5 A and the outer radius 15; b) angular obtained for the ring area with the inner radius 10 A and the outer radius 15; second picture; c) angular obtained for the ring area with the inner radius 5 A and the outer radius 15; d) angular distributions of e M =

distributions of stresses for distributions of stresses for

e M =

0.33

e M =

0.66

1 e M = obtained for the ring area with the inner radius 15 A and the outer radius 20A; e) angular distributions of stresses for 1 e M = obtained for the ring area with the inner radius 10 A and the outer radius 15.

stresses for

The computed values are given in Table 1.

Table 1. The computed values of stress intensity factors. Molecular Dynamics modelling ( 1/2 , I K MPa m  )

Molecular Dynamics modelling (

Analytical solution of continuum fracture mechanics (

Analytical solution of continuum fracture mechanics ( 1/2 , II K MPa m  )

1/2 , II K MPa m  )

1/2 , I K MPa m  )

a) b) c) d) e)

8.9818 8.4750 23.6499 24.5340 25.2322

-13.6733 -13.7663 -9.0071 -0.5565 -1.4991

8.9285 8.4247 23.5096 24.3884 25.0826

-14.4646 -14.5921 -9.5733

0 0

3. Closure In this study, based on MD simulations, the stress intensity factors for mixed mode loading for some values of the mixity parameter are obtained. A comparison of the near-crack tip stress fields obtained from atomistic simulations and continuum theory is given in this paper. The decent atomistic simulations reveal that continuum mechanics can be applied at nanoscale. Good agreement of the stress is found on both levels of description. The applicability of linear elastic fracture mechanics in nanometer range close to crack tips in brittle materials is shown.