论文标题
ALMGB14相关的碳化物结构的机械性能。第一个主要研究
Mechanical properties of AlMgB14-related boron carbide structures. A first principle study
论文作者
论文摘要
我们检查了通过在ALMGB14相关的硼网络中用C-C键代替B-B中间键来产生的效果。弹性常数，Vickers硬度和剪切强度通过第一个原理计算机模拟根据密度功能理论评估。模拟的结果表明，可能存在具有强烈增强的机械性能的几个正交硼相位，年轻模量和Vickers硬度分别在550-600 GPA和43-50 GPA范围内
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
