PSI - Issue 40

L.V. Stepanova et al. / Procedia Structural Integrity 40 (2022) 392–405 Stepanova L.V., Belova O.N. / Structural Integrity Procedia 00 (2022) 000 – 000

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simulations are performed by applying a uniaxial displacement controlled in the direction 2 x at a constant strain rate 1 2.0 3 e s  − = − & for mode I loading. A micro-canonical (NVE) ensemble is used for the MD simulations. The crack is created by deleting one of atoms and the crack length is 72,3A what is equal to 10% of the plate width. The total number of atoms is 719820. The results of molecular dynamics simulations of the tensile loading of the central crack are shown in figs. 1-6 which visualize atoms with different stress level. The atoms are coloured by their stresses from low (blue) to high (red) values. All the figures are obtained using the software OVITO. Figure 1 shows the distributions of the stress component 11  at 5000 (left) and 10000 (right) steps of simulation respectively. Figure 2 shows the distributions of the stress component 11  at 15000 (left) and 20000 (right) steps of simulation respectively. The distributions of the stress tensor component 22  at 5000, 10000, 15000 and 20000 steps of simulation respectively are shown in figs. 3 and 4. Figures 5 and 6 show the distributions of the stress component 12  at 5000, 10000, 15000 and 20000 steps of simulation respectively. Results of molecular dynamics modelling for mixed mode loading are shown in figs. 7-12. The regions and the points that are chosen for the determination of the coefficients of the Williams series expansion are shown in fig.13.

Fig. 1. Distributions od at 5000 (left) and 10000 (right) steps of simulations. Mode I loading.

11  at 15000 (left) and 20000 (right) steps of simulation. Mode I loading.

Fig. 2. Distributions of