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arXiv · 1210.1501

Phase field crystal modeling of early stage precipitation and clustering

Vahid Fallah·Jonathan Stolle·Nana Ofori-Opoku·Shahrzad Esmaeili·Nikolas Provatas
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Abstract

A phase field crystal model is used to investigate the mechanisms of formation and growth of early clusters in quenched/aged dilute binary alloys, a phenomenon typically outside the scope of molecular dynamics time scales. We show that formation of early sub-critical clusters is triggered by the stress relaxation effect of quenched-in defects, such as dislocations, on the energy barrier and the critical size for nucleation. In particular, through analysis of system energetics, we demonstrate that the growth of sub-critical clusters into overcritical sizes occurs due to the fact that highly strained areas in the lattice locally reduce or even eliminate the free energy barrier for a first-order transition.

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Vahid Fallah, Jonathan Stolle, Nana Ofori-Opoku, Shahrzad Esmaeili, Nikolas Provatas. 2012-10-04. Phase field crystal modeling of early stage precipitation and clustering. https://arxiv.org/abs/1210.1501

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