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MedeA® Application Notes for Drilling & Mining
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Ab Initio calculations (VASP) correctly predict the monoclinic phase to be the most stable at low temperatures, followed by the tetragonal, and the high-temperature cubic phases. The structural information and heat of formation obtained provide a sound starting point for calculations of thermodynamic properties. |
In many metal-ceramic composites the interface between the metallic and ceramic phases determines the mechanical properties of the material. A prominent example is the WC-Co composite, where the combination of high WC hardness and Co ductility results in advantageous mechanical properties for applications in the tool manufacturing industry. The outstanding performance of WC-Co can be explained by the low interface energies (high stability) of the contacting surfaces of WC and Co. 
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Calculation of elastic properties is straightforward with MedeA®'s Mechanical and Thermal Properties module. 
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The insertion of interstitial impurities in a host lattice causes local deformations of the lattice. The 
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