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Deformation Induced Directional Amorphization in Zr2Ni Systems:A Remedy for the Mechanical Failure of Nano-Crystalline Alloys

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We report on Molecular Dynamics results referring to the mechanical properties of crystalline, amorphous and nanocrystalline Zr2Ni. In addition, nanocrystals of the same alloy having various sizes were also considered. With the exception of the amorphous system, we found that upon tensile deformation these systems exhibit lattice instability along the [110] direction. In addition, we found that the nanocrystals exhibit small decrease in the bulk moduli and yielding points as their sizes increased from 2 nm to 12 nm. Furthermore, it came out that in the nanocrystalline models the catastrophic failure is prevented via partial amorphization of the nanocrystals and their incorporation into the amorphous matrix, resulting in significant elongation of the plastic region. This effect results also in the increase of the triple junctions present in the system, thus altering the grain's migration angles and mobility. These findings could be used for remedying the yielding to fracture of nanostructured materials and for tailoring nanograined systems to exhibit enhanced ductility.

Keywords: ATOMIC SCALE STRUCTURE; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; NANO-STRUCTURED MATERIALS

Document Type: Research Article

Publication date: August 1, 2009

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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