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arXiv · 1608.02981

Formation of ordered and disordered interfacial films in immiscible metal alloys

Zhiliang Pan·Timothy J. Rupert
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Abstract

Atomistic simulations are used to study segregation-induced intergranular film formation in Cu-Zr and Cu-Nb alloys. While Cu-Zr forms structurally disordered or amorphous films, ordered films comprised of a second phase usually precipitate in Cu-Nb, with a critical nucleation size of ~1 nm below which the ordered phase cannot form. While the ordered film is retained at high temperature for a low energy Σ11 (113) boundary, a disordering transition is observed for a high energy Σ5 (310) boundary at low dopant concentrations. Finally, the effect of free surfaces on dopant segregation and intergranular film formation is investigated for both alloys.

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Zhiliang Pan, Timothy J. Rupert. 2016-11-08. Formation of ordered and disordered interfacial films in immiscible metal alloys. https://arxiv.org/abs/1608.02981

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