Microscopic theory of hardness and design of novel superhard crystals
Hardness can be defined microscopically as the combined resistance of chemical bonds in a material to indentation,The current review presents three most popular microscopic models based on distinct scaling schemes of this resistance,namely the bond resistance,bond strength,and electronegativity models,with key points during employing these microscopic models addressed.These models can be used to estimate the hardness of known crystals.More importantly,hardness prediction based on the designed crystal structures becomes feasible with these models.Consequently,a straightforward and powerful criterion for novel superhard materials is provided.The current focuses of research on potential superhard materials are also discussed.
Hardness Superhard materials Modeling Chemical bond Crystal design
Yongjun Tian Bo Xu Zhisheng Zhao
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, Hebei 066004, China
国际会议
南京
英文
723-736
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）