Interdiffusion cross crystal-amorphous interface: An atomistic simulation

YY Zhu and GL Liao and TL Shi and ZR Tang and M Li, ACTA MATERIALIA, 112, 378-389 (2016).

DOI: 10.1016/j.actamat.2016.04.032

Interdiffusion cross the interface between metallic glass CuZr and crystal Al is investigated using molecular dynamics simulation. We show that the interdiffusivity is highly asymmetric in the adjacent amorphous and crystal phases and strongly concentration dependent Anomalous interdiffusion is observed in the interdiffusion zone grown from the initial interface. The underlying mechanisms of the mass transport phenomenon in the heterogeneous media involve interplay of simultaneous structural transformation from crystal to amorphous and then to liquid phase with subtle changes in local atomic bonding and packing and the difference in the intrinsic diffusivity of the alloy elements. The complexity is a natural consequence of the heterostructure evolving toward equilibrium. The significance and application of the interdiffusion and resulting bonding for metallic glass and crystals are discussed. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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