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. 2013 Mar 22;3:1450. doi: 10.1038/srep01450

Figure 1. Representative snapshots of a MD simulation of three different defect annihilation processes for (013)[100]Σ = 5 symmetric title grain boundary.

Figure 1

All simulations start with one bulk vacancy and one bulk dumbbell defect close to a grain boundary. (a–g) The process involving BC defect for annihilation: A BC defect is created at time t = 42.9 ps to transport an interstitial to the boundary and then another BC defect is created t = 43.9 ps to annihilate a bulk vacancy. (h–n) The process involving GBC defect for boundary migration and BC defect for annihilation: A GBC defect is created at t = 89.9 ps to move a boundary trapped interstitial, and then a BC defect is created at t = 91.3 ps to annihilate a bulk vacancy. (o–u) The process involving GBC defect for annihilation on the boundary: A GBC defect is created at t = 376.9 ps to annihilate a defect pair separated and trapped on the boundary. The boundary is represented with a blue shadowed plane. The green balls refer to interstitial and red balls refer to vacancy. The solid circles refer to BC defects and dash circles refer to GC defects.