Diffusion dynamics of defects in Fe and Fe-P systems

Molecular dynamics study of self-diffusion in bcc Fe

A semiempirical interatomic potential for Fe was used to calculate the diffusivity in bcc Fe assuming the vacancy and interstitial mechanisms of self-diffusion. Point-defect concentrations and diffusivities were obtained directly from molecular dynamics MD simulations. It was found that self-diffusion in bcc Fe is controlled by the vacancy mechanism at all temperatures. This result is due to th...

Quasiparticle dynamics in ferromagnetic compounds of the Co-Fe and Ni-Fe systems

We report a theoretical study of the quasiparticle lifetime and the quasiparticle mean free path caused by inelastic electron-electron scattering in ferromagnetic compounds of the Co-Fe and Ni-Fe systems. The study is based on spin-polarized calculations, which are performed within the GW 0 approximation for equiatomic and Co(Ni)-rich compounds, as well as for their constituents. We mainly focu...

Carbon Interstitial Diffusion in γ-Fe

In this paper, we employ a four-frequency model for carbon diffusion in austenite where interstitials can diffuse either as isolated species or pairs. We make use of the Okamura and Allnatt formalism that has recently been shown to be near exact. The general finding of a previous analysis of McKee is confirmed: the increase of both tracer and chemical carbon diffusion coefficients with carbon c...

Measurements and calculations of metastable level lifetimes in Fe X , Fe XI , Fe XII , Fe XIII , and Fe XIV

Lifetimes of metastable levels in the ground term of Fe ions within the 3s3p, k51 – 5, isoelectronic sequences have been measured. These measurements were performed utilizing ions that were selected by mass to charge ratio while transported from an electron cyclotron resonance ion source to a Kingdon ion trap, where they were captured and then confined for periods of up to 2.1 s. During this st...

Calculated oscillation periods of the interlayer coupling in Fe/Cr/Fe and Fe/Mo/Fe sandwiches.