**Author details**

For *s* = 18*a*<sup>0</sup>

70 Molecular Dynamics

**5. Summary**

*s* = 6*Na*<sup>0</sup>

to the events in **Figure 5(a)**–**(c)**.

0, taken directly after relaxation, (b) ε<sup>x</sup>

, *N* = 1, 2, 3, and with *a*<sup>0</sup>

in the [110] orientation with curves in **Figure 3(f)**, lastly, another phenomenon

and *w/h* = 1. For the larger *w/h*, *w/h* = 3

=

and *w/h* = 1. [110] orientation. Coded in the *CSP*. At (a) ε<sup>x</sup>

for both crystallographic

steadily decreases as the void width *w*

appears for *w/h* = 1 and *w/h* = 2. For these cases, initiation of plasticity as well as rupture occurs

= 0.649.

and *w/h* = 4, the voids elongate and the ligaments rupture individually over the void similar

Molecular dynamic simulations of beams of single-crystal Cu of dimensions 100*a*<sup>0</sup> × *s* × *s*,

placement controlled tension until rupture. Each beam holds a centrally placed, rectangular through-the-thickness defect of extension along the beam length direction equal to *w* and of height *h* = *s/*3. Aspect ratios *w/h* = 1, 2, 3, 4 were considered and the loading was applied along two crystallographic directions, the [100]- or the [110] direction, cf. **Figure 1**. The deformation development was monitored continuously and the strains at plastic initiation, at void closure and at rupture were recorded. The result is given in **Table 2** and visualized in **Figure 3**.

By studying **Figure 3** and **Table 2**, some general trends about the deformation behavior can

increases. It is also observed that the strain at rupture is in the same range for both orientations for different values of *s* and, for both orientations, the values increase dramatically in magnitude with increasing *s*. Finally, it can be observed that no general trend regarding the

be drawn. First in the case of total closure of the beams for *s* = 6*a*<sup>0</sup>

orientations, it is observed that the closure strain *ε<sup>c</sup>*

denoting the lattice parameter of Cu, have been loaded in dis-

away from the void as illustrated in **Figure 7** for *s* = 18*a*<sup>0</sup>

= 0.405 and (c) ε<sup>x</sup>

**Figure 7.** Events during deformation of beams with s = 18a0

Aylin Ahadi\*, Per Hansson and Solveig Melin

\*Address all correspondence to: aylin.ahadi@mek.lth.se

Division of Mechanics, LTH, Lund University, Lund, Sweden
