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Now showing items 1-5 of 5

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    Asymmetric twins in boron rich boron carbide 

    Yang, Xiaokun; Goddard III, William A.; An, Qi (Royal Society of Chemistry, 2018)
    Twin boundaries (TBs) play an essential role in enhancing the mechanical, electronic and transport properties of polycrystalline materials. However, the mechanisms are not well understood. In particular, we considered that ...
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    Icosahedral superstrength at the nanoscale 

    Kunka, Cody; Yang, Xiaokun; An, Qi; Subhash, Ghatu (American Physical Society, 2018)
    Materials that exhibit extreme hardness, low mass density, and high thermal/chemical stability can often be modeled as simple modifications to the ? -rhombohedral phase of boron. To facilitate the development and discovery ...
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    Locating Si atoms in Si-doped boron carbide: A route to understand amorphization mitigation mechanism 

    Khan, Atta U.; Etzold, Anthony M.; Yang, Xiaokun; Domnich, Vladislav; Xie, Kelvin Y.; Hwang, Chawon; Behler, Kristopher D.; Chen, Mingwei; An, Qi; LaSalvia, Jerry C. (Elsevier, 2018)
    he well-documented formation of amorphous bands in boron carbide (B4C) under contact loading has been identified in the literature as one of the possible mechanisms for its catastrophic failure. To mitigate amorphization, ...
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    Shear-Induced Brittle Failure along Grain Boundaries in Boron Carbide 

    Yang, Xiaokun; Coleman, Shawn P.; Lasalvia, Jerry C.; Goddard III, William A.; An, Qi (American Chemical Society, 2018)
    The role that grain boundaries (GBs) can play on mechanical properties has been studied extensively for metals and alloys. However, for covalent solids such as boron carbide (B4C), the role of GB on the inelastic response ...
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    Structure and Properties of Boron-Very-Rich Boron Carbides: B12 Icosahedra Linked through Bent CBB Chains 

    Yang, Xiaokun; Goddard III, William A.; An, Qi (American Chemical Society, 2018)
    The atomic structures of boron carbide in the regime below ?13.3 at. % C (known as boron-very-rich boron carbide, BvrBC) have not previously been reported due to the complexity of the structure and bonding. We report here ...