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We developed a three-dimensional, atomistic model based on the kinetic Monte Carlo method to investigate how voids penetrating a monocrystalline silver film are affected by electromigration. The simulations show a clear dependency between the nonequilibrium shape of the voids and the crystallographic orientation of the film. The simulation results are in accordance with experimental results on bicrystalline silver wires.

Abstract:The major strengthening mechanisms in bainitic steels arise from the bainitic ferrite plate thickness rather than the length, which primarily determines the mean free slip distance. Both the strength of the austenite from where the bainite grows and the driving force of the transformation, are the two factors controlling the final scale of the bainitic microstructure. Usually, those two parameters can be tailored by means of selection of chemical composition and transformation temperature. However, there is also the possibility of introducing plastic deformation on austenite and prior to the bainitic transformation as a way to enhance both the austenite strength and the driving force for the transformation; the latter by introducing a mechanical component to the free energy change. This process, known as ausforming, has awoken a great deal of interest and it is the object of ongoing research with two clear aims. First, an acceleration of the sluggish bainitic transformation observed typically in high C steels (0.7-1 wt. %) transformed at relatively low temperatures. Second, to extend the concept of nanostructured bainite from those of high C steels to much lower C contents, 0.4-0.5 wt. %, keeping a wider range of applications in view.Keywords: bainite; ausforming; kinetics; plate thickness Structural Refinement of Bainitic Steels: General ConsiderationsBainitic steels can be designed on the basis of the theory that predicts the highest temperature at which bainite (Bs) and martensite (Ms) can start to form in a steel of a given composition. These two temperatures constitute the upper and lower limits at which the isothermal heat treatment can be performed to generate bainite.It has been reported that bainitic ferrite plate thickness depends primarily on three parameters, i.e., (1) the strength of the austenite at the transformation temperature, (2) the dislocation density in the austenite and (3) the chemical free energy change accompanying transformation [1][2][3]. In accord, a strong austenite possessing a high dislocation density and a large driving force results in finer plates. Austenite strength and dislocation density refine the structure by increasing the resistance to interface motion, and the thermodynamic driving force refines the structure by increasing the nucleation rate. All three factors-austenite strength, dislocation density and driving force-increase

Abstract. The reliability of kinetic Monte Carlo (KMC) simulations depends on accurate transition rates. The self-learning KMC method (Trushin et al., Phys. Rev. B 72, 115401 (2005)) combines the accuracy of rates calculated from a realistic potential with the efficiency of a rate catalog, using a pattern recognition scheme. This work expands the original two dimensional method to three dimensions. The concomitant huge increase in the number of rate calculations on the fly needed can be avoided by setting up an initial database, containing exact activation energies calculated for processes gathered from a simpler KMC model. To provide two representative examples, the model is applied to the diffusion of Ag monolayer islands on Ag(111), and the homoepitaxial growth of Ag on Ag(111) at low temperatures.

The influence of the crystal lattice configuration to electromigration processes, e.g., void formation and propagation, is investigated in suitable test structures. They are fabricated out of self-assembled, bi-crystalline Ag islands, grown epitaxially on a clean Si(111) surface. The μm-wide and approximately 100 nm thick Ag islands are a composition of a Ag(001) and a Ag(111) part. By focused ion beam milling, they are structured into wires with a single grain boundary, the orientation of which can be chosen arbitrarily. In-situ scanning electron microscopy (SEM) allows to capture an image sequence during electrical stressing and monitors the development of voids and hillocks in time. To visualize the position and motion of voids, we calculate void maps using a threshold algorithm. Most of the information from the SEM image sequence is compressed into one single image. Our present electromigration studies are based on in-situ SEM investigations for three different lattice configurations: Ag(001) (with electron current flow in [1¯1¯0] direction), Ag(111) (with electron current flow in [112¯] direction), and additionally 90∘ rotated Ag(111) (with electron current flow in [1¯10] direction). Our experimental results show that not only the formation and shape but also the motion direction of voids strongly depends on the crystal orientation.