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arXiv · 2103.12384

Fcc -> bcc phase transition kinetics in an immiscible binary system: atomistic evidence of the twinning mechanism of transformation

G. Demange·M. Lavrskyi·K. Chen·X. Chen·Z. D. Wang·R. Patte·H. Zapolsky
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Abstract

Extensive atomistic simulations based on the quasiparticle (QA) approach are performed to determine the momentous aspects of the displacive fcc/bcc phase transformation in a binary system. We demonstrate that the QA is able to predict the major structural characteristics of fcc/bcc phase transformations, including the growth of a bcc nuclei in a fcc matrix, and eventually the formation of an internally twinned structure consisting in two variants with Kurdjumov-Sachs orientation relationship. At atomic level, we determine the defect structure of twinning boundaries and fcc/bcc interfaces, and identify the main mechanism for their propagation. In details, it is shown that twin boundaries are propagated by the propagation of screw dislocations in fcc along the <-1-11>_{\alpha} direction, while the propagation of fcc screw dislocations along coherent terrace edges is the pivotal vector of the fcc/bcc transformation. The simulation results are compared with our TEM and HRTEM observations of Fe-rich bcc twinned particle embedded in the fcc Cu-rich matrix in the Cu-Fe-Co system.

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G. Demange, M. Lavrskyi, K. Chen, X. Chen, Z. D. Wang, R. Patte, H. Zapolsky. 2021-03-23. Fcc -> bcc phase transition kinetics in an immiscible binary system: atomistic evidence of the twinning mechanism of transformation. https://arxiv.org/abs/2103.12384

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