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Effect of Crack Defects on Magnetostriction and Magnetic Moment Evolution of Iron Thin Films.

Hongwei YangMeng ZhangLianchun Long
Published in: Nanomaterials (Basel, Switzerland) (2022)
Molecular dynamics simulations of body-centered cubic (bcc) iron thin films with crack defects were carried out by adopting methods of EAM (Embedded Atom Method) potential, spin/exchange potential and spin/neel potential. In this article, the effects of the variation of distance between two crack defects and their directions on the magnetostrictive properties of the thin films are studied, and the corresponding microscopic mechanism is also analyzed. The results show that the defects affect the atomic magnetic moment nearby, and the magnetostrictive properties of thin iron films vary with the direction and spacing of the crack defects. If the defect spacing is constant, the iron model with crack perpendicular to the magnetization direction has stronger magnetostriction than that of parallel to the magnetization direction. The variation of the defect spacing has a great influence on the magnetostrictive properties of the iron model with crack direction parallel to magnetization direction, but it has a small effect on another perpendicular situation. The atoms between the defects may move, but if the defect spacing increases to a certain value, then none of the atoms will move.
Keyphrases
  • molecular dynamics simulations
  • iron deficiency
  • molecular docking
  • molecular dynamics
  • mass spectrometry
  • risk assessment
  • climate change