Theory and modelling of diamond fracture from an atomic perspective

被引：12

作者：

Brenner, Donald W. ^{[1
]}

Shenderova, Olga A. ^{[2
]}

机构：

[1] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA

[2] Int Technol Ctr, Res Triangle Pk, NC USA

来源：

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | 2015年 / 373卷 / 2038期

关键词：

diamond fracture; chemical vapour deposition; density functional theory; molecular simulation; TILT GRAIN-BOUNDARIES; ULTRANANOCRYSTALLINE DIAMOND; MECHANICAL-PROPERTIES; METALS; STRENGTH; SCIENCE; SURFACE; FILMS; SIZE;

D O I：

10.1098/rsta.2014.0139

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Discussed in this paper are several theoretical and computational approaches that have been used to better understand the fracture of both single-crystal and polycrystalline diamond at the atomic level. The studies, which include first principles calculations, analytic models and molecular simulations, have been chosen to illustrate the different ways in which this problem has been approached, the conclusions and their reliability that have been reached by these methods, and how these theory and modelling methods can be effectively used together.

引用

页数：13

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