Dynamics of self-interstitial cluster migration in pure α-Fe and Fe-Cu alloys
作者： J. Marian , B. D. Wirth , A. Caro , B. Sadigh , G. R. Odette
DOI: 10.1103/PHYSREVB.65.144102
关键词:
摘要: We report the results of molecular dynamics simulations self-interstitial cluster diffusion in pure \ensuremath{\alpha}-Fe and a dilute Fe--1.0 at. % Cu alloy for number sizes, $nl~20.$ find that effect this oversized substitutional solute is to enhance three-dimensional character small-cluster impact general properties. explain through mechanism directly based on interactions between atomic displacement field atoms clusters. Based these results, we derive simple power laws extrapolation migration energies prefactors larger required longer-range microstructural evolution models. These represent an improvement over current parametrizations used previous calculations.
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