The elastic properties of Mo2BC were studied using ab initio calculations. The calculated bulk modulus of 324 GPa is 45% larger than that of Ti0.25Al0.75N and 14% smaller than that of c-BN, indicating a highly stiff material. The bulk modulus (B) to shear modulus (G) ratio is 1.72 at the transition from brittle to ductile behaviour. This, in combination with a positive Cauchy pressure (c12 − c44), suggests moderate ductility. When compared with a typical hard protective coating such as Ti0.25Al0.75N (B = 178 GPa; B/G = 1.44; negative Cauchy pressure), Mo2BC displays considerable potential as protective coating for metal cutting applications. In order to test this proposal, Mo2BC thin films were synthesized using dc magnetron sputtering from three plasma sources on Al2O3(0 0 0 1) at a substrate temperature of ∼900 °C. The calculated lattice parameters are in good agreement with values determined from x-ray diffraction. The measured Young's modulus values of ∼460 ± 21 GPa are in excellent agreement with the 470 GPa value obtained by calculations. Scanning probe microscopy imaging of the residual indent revealed no evidence for crack formation as well as significant pile-up, which is consistent with the moderate plasticity predicted. The apparent contradiction between moderate ductility on the one hand and indentation hardness values of 29 GPa can be understood by considering the electronic structure particularly the extreme anisotropy. The presence of stiff Mo–C and Mo–B layers with metallic interlayer bonding enables this intriguing and unexpected property combination.
This article outlines on-going activities at the RWTH Aachen University aiming at a standardized, modular, extendable and open simulation platform for materials processing. This platform on the one hand facilitates the information exchange between different simulation tools and thus strongly reduces the effort to design/re-design production processes. On the other hand, tracking of simulation results along the entire production chain provides new insights into mechanisms, which cannot be explained on the basis of individual simulations. Respective simulation chains provide e.g. the basis for the determination of materials and component properties, like e.g. distortions, for an improved product quality, for more efficient and more reliable production processes and many further aspects. After a short introduction to the platform concept, actual examples for different test case scenarios will be presented and discussed
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