Predicting dislocation climb and creep from explicit atomistic details.

نویسندگان

  • Mukul Kabir
  • Timothy T Lau
  • David Rodney
  • Sidney Yip
  • Krystyn J Van Vliet
چکیده

Here we report kinetic Monte Carlo simulations of dislocation climb in heavily deformed, body-centered cubic iron comprising a supersaturation of vacancies. This approach explicitly incorporates the effect of nonlinear vacancy-dislocation interaction on vacancy migration barriers as determined from atomistic calculations, and enables observations of diffusivity and climb over time scales and temperatures relevant to power-law creep. By capturing the underlying microscopic physics, the calculated stress exponents for steady-state creep rates agree quantitatively with the experimentally measured range, and qualitatively with the stress dependence of creep activation energies.

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عنوان ژورنال:
  • Physical review letters

دوره 105 9  شماره 

صفحات  -

تاریخ انتشار 2010