The Comparative Analysis Of Dependence On Temperature Of Diffusion And Strength Characteristics Of Graphene Reinforced Al, Ni And Ti Films

LETTERS ON MATERIALS-PIS MA O MATERIALAKH(2016)

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摘要
Additive technology of synthesis of layered composites produced by precise metallurgical methods of consequent deposition of 2D Si, C, B crystal strengthened metallic nanofilms using CVD, epitaxy, spraying and laser sintering powders is actively developing nowadays. The molecular dynamics study of thermal evolution of metallic (Ni, Ti, Al) nanofilms has been carried out. Pecularities of nucleation and activation kinetic processes defining the temperatures of the beginning of structural transformations and decrease of thermal stability of interphase functional elements of Graphene/metall type are discussed. Mentioned processes result in the development of thermally induced dynamical transformations in two dimensional systems of metallic nanoclusters and transition metal films placed on graphene substrates. The resulting specific interphase is characterized by different values of bond energy. It was shown, that for all systems considered in present study the increase of temperature for G/Ni and G/Ti, up to 3700 K and for G/Al up to 2200 K double layer graphene coating results in increasing twice the elongation of the films in the zigzag directions in comparison with their elongation for one layer graphene coating. In case of sufficiently high thermalstability values of chemo sorption-type interface Me films (Ni, Ti) placed on the surface of G sheet, preservation of their integral stability with respect to the plane of normal diffusion perturbations and recovery of its functional electronic structure (Dirac conecan be achieved via the intercalation doping alloying by the additional layer of sp-metals (Al) and transition metals with completed d orbitals.
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关键词
MD simulation, interface, graphene, transition metals, diffusion, thermostability
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