论文摘要
The carbon diffusivity in tungsten is one fundamental and essential factor in the application of tungsten as plasmafacing materials for fusion reactors and substrates for diamond growth. However, data on this are quite scarce and largely scattered. We perform a series of first-principles calculations to predict the diffusion parameters of carbon in tungsten,and evaluate the effect of temperature on them by introducing lattice expansion and phonon vibration. The carbon atom prefers to occupy octahedral interstitial site rather than tetrahedral interstitial site, and the minimum energy path for its diffusion goes through a tetrahedral site. The temperature has little effect on the pre-exponential factor but a marked effect on the activation energy, which linearly increases with the temperature. Our predicted results are well consistent with the experimental data obtained at high temperature（>1800 K） but significantly larger than the experimental results at low temperature（<1800 K）.
论文目录
文章来源
类型: 期刊论文
作者: 宋驰,孔祥山,刘长松
来源: Chinese Physics B 2019年11期
年度: 2019
分类: 基础科学,工程科技Ⅰ辑
专业: 金属学及金属工艺
单位: College of Science, Jinling Institute of Technology,Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences
基金: Project supported by the National Key Research and Development Program of China(Grant No.2018YFE0308102),the National Natural Science Foundation of China(Grant Nos.11735015 and 51771185),the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(Grant No.17KJB140008),Jinling Institute of Technology,China(Grant Nos.jit-fhxm-201601 and jit-b-201616)
分类号: TG111.6
页码: 272-277
总页数: 6
文件大小: 274K
下载量: 7