Simulated liquid iron

The diffusion coefficient is found to be a product of the rate of LDF and mean square displacement of Fe particles per LDF. The diffusion is realized by two types of activated LDFs. First type is accompanied by frequent back-and-forth movements of Fe particles. The second type causes the random movement of Fe particles.

7p tamynhan8 04-11-2020 8 1   Download

The dynamic properties of iron liquid (Fe) are studied by molecular dynamics (MD) simulation. We trace the evolution of local density fluctuations (LDFs) in Fe liquid over the simulation time and in the 300-2300 K temperature range. The result simulation reveals that atomic diffusion is realized through the LDFs and the high localization LDFs at low temperature in the iron liquid is the cause of the anomalous dynamics slowdown. We find that the diffusion depends on both rate of LDFs and the averaged square displacement of particles Fe as one LDF occurs.

6p blackwidow123 15-06-2018 28 3   Download