Mechanical properties of AlMgB14-related boron carbide structures. A first principle study
Oleksiy Bystrenko (1), Jingxian Zhang (1, 2), Dong Fangdong (3),, Xiaoguang Li (1, 2), Weiyu Tang (1, 2), Kaiqing Zhang (1, 2),, Jianjun Liu (1, 2) ((1) Key Laboratory of Advanced Structural Ceramics and, Ceramics Matrix Composites of Shanghai Institute of Ceramics of Chinese
TL;DR
This study uses first-principles simulations to explore how substituting B-B bonds with C-C bonds in AlMgB14-related boron structures can enhance their mechanical properties, indicating potential new phases with superior hardness and stiffness.
Contribution
It introduces a first-principles computational approach to predict new boron carbide phases with improved mechanical properties based on bond substitution.
Findings
Identification of potential orthorhombic boron carbide phases
Predicted Young's modulus in the range of 550-600 GPa
Vickers hardness estimated between 43-50 GPa
Abstract
We examine the effects produced by replacing B-B interlayer bonds by C-C bonds in AlMgB14-related boron network on its mechanical properties. The elastic constants, Vickers hardness and shear strength are evaluated by means of first principle computer simulations on the basis of density functional theory. The results of simulations suggest a possibility of existence of several orthorhombic boron carbide phases with strongly enhanced mechanical properties with the Young modulus and Vickers hardness being within the range of 550-600 GPa and 43-50 GPa, respectively
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Taxonomy
TopicsBoron and Carbon Nanomaterials Research · Aluminum Alloys Composites Properties · Metal and Thin Film Mechanics