Laser ablation of Al-Ni alloys and multilayers has been studied by molecular dynamics simulations. The method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons, and the atoms. As a first step, electronic parameters for the alloys had to be found and the model developed originally for pure metals had to be generalized to multilayers. The modifications were verified by computing melting depths and ablation thresholds for pure Al and Ni.Here known data could be reproduced. The improved model was applied to the alloys Al 3 Ni, AlNi and AlNi 3 . While melting depths and ablation thresholds for AlNi behave unspectacular, sharp drops at high fluences are observed for Al 3 Ni and AlNi 3 . In both cases, the reason is a change in ablation mechanism from phase explosion to vaporization. Furthermore, a phase transition occurs in Al 3 Ni. Finally, Al layers of various thicknesses on a Ni substrate have been simulated. Above threshold, 8 nm Al films are ablated as a whole while 24 nm Al films are only partially removed. Below threshold, alloying with a mixture gradient has been observed in the thin layer system.
The current work numerically investigates commercial polycrystalline Ag/17vol.%SnO2 composite tensile deformation behavior with available experimental data. Such composites are useful for electric contacts and have a highly textured initial material status after hot extrusion. Experimentally, the initial sharp fiber texture and the number of Σ3-twins were reduced due to tensile loading. The local inhomogeneous distribution of hardness and Young’s modulus gradually decreased from nanoindentation tests, approaching global homogeneity. Many-scale simulations, including micro-macro simultaneous finite element (FE) and discrete dislocation dynamics (DDD) simulations, were performed. Deformation mechanisms on the microscale are fundamental since they link those on the macro- and nanoscale. This work emphasizes micromechanical deformation behavior. Such FE calculations applied with crystal plasticity can predict local feature evolutions in detail, such as texture, morphology, and stress flow in individual grains. To avoid the negative influence of boundary conditions (BCs) on the result accuracy, BCs are given on the macrostructure, i.e., the microstructure is free of BCs. The particular type of 3D simulation, axisymmetry, is preferred, in which a 2D real microstructural cutout with 513 Ag grains is applied. From FE results, Σ3-twins strongly rotated to the loading direction (twins disappear), which, possibly, caused other grains to rotate away from the loading direction. The DDD simulation treats the dislocations as discrete lines and can predict the resolved shear stress (RSS) inside one grain with dependence on various features as dislocation density and lattice orientation. The RSS can act as the link between the FE and DDD predictions.
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