Compressive Strength of Diamond From First-Principles Calculation
Compressive Strength of Diamond From First-Principles Calculation
复制标题
根据第一性原理计算得出金刚石的抗压强度
DOI：
10.1021/jp102037j
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发表时间：
2010-10-21
影响因子：
3.7
通讯作者：
He, Julong
中科院分区：
文献类型：
--
作者：
Luo, Xiaoguang;Liu, Zhongyuan;He, Julong
Compressive strength, like tensile and shear strength, is one of the intrinsic mechanical properties of solid materials. We investigated the ideal compressive strength and corresponding compressive deformation of diamond using pseudopotential density functional theory, The calculated uniaxial compressive strength of diamond is -223.1, -469.0, and -470.4 GPa along the (100), (110), and (111) directions, respectively. The elastic deformation of diamond in compressive strain below the proportional limit of 17% has been determined from the perfect linear response between strain and stress along the (100) direction. 11 present work should be helpful to the understanding of the compressive property of diamond and to the explanation of the limit strength of diamond anvil cell.
