期刊
ACTA MATERIALIA
卷 57, 期 18, 页码 5521-5530出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2009.07.047
关键词
Twinning; Dislocation; Magnesium; Molecular dynamics
资金
- US Department of Energy, Office of Basic Energy Sciences [FWP-06SCPE401]
Mechanisms for ((1) over bar 0 1 2) twinning in hexagonal-close-packed crystals at an atomic scale were studied using topological analysis and atomistic simulations. Two twinning mechanisms were found: a normal-twinning mechanism in which a stable twin nucleus is created by simultaneous nucleation of multiple twinning dislocations; and a zonal-twinning mechanism in which a stable twin nucleus is created by simultaneous nucleation of a partial dislocation and multiple twinning dislocations. The twinning direction, dependent on the ratio of lattice parameters c/a, is along [1 0 (1) over bar 1] when c/a < root 3, but along the opposite direction when c/a > root 3. Atomistic simulations, using density function theory for Mg, Zr and Zn and an empirical potential for Mg, were performed to study the kinetics and energetics associated with the two twinning mechanisms. The results show that the zonal-twinning mechanism is energetically favorable relative to the normal-twinning mechanism, because the zonal dislocation has a smaller Burgers vector. Published by Elsevier Ltd on behalf of Acta Materialia Inc.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据