期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 162, 期 -, 页码 295-303出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2019.03.011
关键词
Solid-solid transitions; Iron; Carbon; Molecular dynamics; Plasticity
资金
- Simulation Science Center Clausthal/Goettingen
Molecular dynamics simulations provide a large body of literature on pressure-induced phase transformations in iron. However, the role of interstitial carbon on phase transformations in iron under high pressure is still an open topic. We investigate the mechanical response of Fe-C single crystals and polycrystals using hydrostatic and uniaxial compression. We couple a recently developed Fe interatomic EAM potential, which faithfully describes the alpha -> epsilon transformation in iron, with several well-known Fe-C potentials. Our results show a three-wave profile demonstrating that the phase transformation is preceded by plasticity. Carbon strongly increases the transformation pressure but decreases the Hugoniot elastic limit in agreement with experimental results.
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