• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>ISIJ international >First-principles Study of Hydrogen-induced Embrittlement in Fe Grain Boundary with Cr Segregation
【24h】

First-principles Study of Hydrogen-induced Embrittlement in Fe Grain Boundary with Cr Segregation

机译：氢在含铁偏析铁晶粒边界上引起脆化的第一性原理研究

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

First-principles tensile tests were performed to investigate the effect of Cr segregation on the hydrogen-induced embrittlement in Fe grain boundaries. The Fe grain boundary with H and Cr segregation exhibited the higher maximum stress and strain to failure than those of the Fe grain boundary with only H segregation. Cr segregation suppressed the extension of the Fe-Fe bond weakened by H segregation. In the Fe grain boundary with H and Cr segregation, the decrease in the charge density in the bond with straining was suppressed because of charge transfer from the Cr atom to its neighboring Fe atoms. This charge accumulation in the grain boundary region is responsible for the reinforcement of bonds in the Fe grain boundary with H segregation, contributing to the suppression the hydrogen-induced embrittlement of Fe grain boundaries.
机译：进行了第一性原理拉伸试验，以研究Cr偏析对氢引起的Fe晶界脆化的影响。具有H和Cr偏析的Fe晶界比仅具有H偏析的Fe晶界表现出更高的最大应力和破坏应变。 Cr偏析抑制了因H偏析而削弱的Fe-Fe键的延伸。在具有H和Cr偏析的Fe晶界中，由于电荷从Cr原子转移到其相邻的Fe原子，抑制了键合中电荷密度的降低。晶界区域中的这种电荷积累负责通过H偏析增强Fe晶界中的键，从而有助于抑制氢引起的Fe晶界脆化。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号