On the Temperature and Composition Dependence of Non‐basal Stacking Faults in C14 Laves Phases

Author:

Xie Zhuocheng1ORCID,Chauraud Dimitri2,Bitzek Erik2,Korte‐Kerzel Sandra1,Guénolé Julien3

Affiliation:

1. Institute of Physical Metallurgy and Materials Physics RWTH Aachen University 52056 Aachen Germany

2. Max‐Planck‐Institut für Nachhaltige Materialien GmbH Max‐Planck‐Str. 1 40237 Düsseldorf Germany

3. Arts et Métiers CNRS, Université de Lorraine LEM3 57070 Metz France

Abstract

Activation of non‐basal slip is essential in improving the deformability of hexagonal crystals. However, for complex intermetallics such as Laves phase, the mechanism of non‐basal slip remains largely unknown. In this work, the prismatic slip systems of C14 Laves phase crystals and possible metastable states along the slip paths are assessed using atomistic simulations. Multiple prismatic stacking fault states with the same projected positions of atoms but different site occupancies and chemical distributions are identified at different inter‐atomic layers, temperatures and chemical compositions. The formation of energetically favorable prismatic stacking faults involves short‐range diffusion which implies the thermally activated nature of prismatic slip. The outcomes of this work advance the understanding of temperature and composition‐dependent non‐basal slip in Laves phases.

Funder

Deutsche Forschungsgemeinschaft

HORIZON EUROPE European Research Council

Publisher

Wiley

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