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Now showing items 1-5 of 5

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    Microalloying boron carbide with silicon to achieve dramatically improved ductility 

    An, Qi; Goddard III, William A. (American Chemical Society, 2014)
    Boron carbide (B4C) is a hard material whose value for extended engineering applications such as body armor
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    Nanotwinned Boron Suboxide (B6O): New Ground State of B6O 

    An, Qi; Reddy, K. Madhav; Dong, Huafeng; Chen, Ming-Wei; Oganov, Artem R.; Goddard III, William A. (American Chemical Society, 2016)
    Nanotwinned structures in superhard ceramics rhombohedral boron suboxide (R-B6O) have been examined using a combination of transmission electron microscopy (TEM) and quantum mechanics (QM). QM predicts negative relative ...
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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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    Stability of NNO and NPO nanotube crystals 

    An, Qi; Xiao, Hai; Goddard III, William A.; Meng, Xiangying (American Chemical Society, 2014)
    We combine the USPEX evolution searching method with density functional theory using dispersion corrections (DFT-ulg) to predict the crystal structure of the NNO extended solid at high pressures (from 100 to 500 GPa). We ...
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    Superstrength through nanotwinning 

    An, Qi; Goddard III, William A.; Xie, Kelvin Y.; Sim, Gi-dong; Hemker, Kevin J.; Munhollon, Tyler; Toksoy, M. Fatih; Haber, Richard A. (American Chemical Society, 2016)
    The theoretical strength of a material is the minimum stress to deform or fracture the perfect single crystal material that has no defects. This theoretical strength is considered as an upper bound on the attainable strength ...