A Molecular Dynamics Study of Self-Diffusion in Stoichiometric B2-NiAl crystals

13 May 2018 Maździarz Marcin Rojek Jerzy Nosewicz Szymon

Self-diffusion parameters in stoichiometric B2-NiAl solid state crystals were estimated by molecular statics/dynamics simulations with the study of required simulation time to stabilise diffusivity results. An extrapolation procedure to improve the diffusion simulation results was proposed... (read more)

PDF Abstract
No code implementations yet. Submit your code now

Categories


  • MATERIALS SCIENCE
  • STATISTICAL MECHANICS