Molecular dynamics simulations of cascades in strained carbide inclusions embedded in alpha-iron

Abstract

The effect of strain on the amount of point defects created in Fe and Cr carbide inclusions embedded in ferrite has been investigated. The spherical carbide inclusions consisted of either Fe3C or Cr23C6. Recoil energies from 100 eV to 3 keV and strains from -0.15 (compressive) to 0.01 (tensile) were used. The overall tendency is that the number of point defects - such as antisites, vacancy and interstitials - inside the carbide is lowered when the strain grows more negative (compressive). Outside the carbides, the number of defects is markedly higher for strongly compressive strains than for e.g. zero strain, especially at high energies. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.