2016/08/09 by Zhiliang Pan, Timothy J. Rupert, Pan, Zhiliang +1 · 2 citations
Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Metallic Glasses and Amorphous Alloys #Microstructure and mechanical properties #Theoretical and Computational Physics
paper · pdf · doi:10.48550/arxiv.1608.02981
openalex publication_date 2016/08/09 · openalex created_date 2016/10/07 · openalex updated_date 2026/07/28
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.