4.7 Review

Defect phases - thermodynamics and impact on material properties

Journal

INTERNATIONAL MATERIALS REVIEWS
Volume 67, Issue 1, Pages 89-117

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/09506608.2021.1930734

Keywords

Defect; defect phase; lattice defect; thermodynamics; phase diagram; Pourbaix diagram; defect phase diagram; transmission electron microscopy; atom probe tomography; atomistic simulation; density functional theory; nanomechanics; complexion; mechanical properties; corrosion properties; dislocation; grain boundary; phase boundary; surface

Funding

  1. German Research Foundation (Deutsche Forschungsgemeinschaft (DE)) [409476157]

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The text discusses two successful approaches in alloy design: using thermodynamic and kinetic descriptions to tailor alloys and manipulating crystal defects to control properties. The author suggests a need to bridge these two concepts and proposes a new strategy for future materials design using defect phases. This framework is expected to enable a paradigm shift in the description and design of engineering materials.
Two approaches in materials physics have proven immensely successful in alloy design: First, thermodynamic and kinetic descriptions for tailoring and processing alloys to achieve a desired microstructure. Second, crystal defect manipulation to control strength, formability and corrosion resistance. However, to date, the two concepts remain essentially decoupled. A bridge is needed between these powerful approaches to achieve a single conceptual framework. Considering defects and their thermodynamic state holistically as 'defect phases', provides a future materials design strategy by jointly treating the thermodynamic stability of both, the local crystalline structure and the distribution of elements at defects. Here, we suggest that these concepts are naturally linked by defect phase diagrams describing the coexistence and transitions of defect phases. Construction of these defect phase diagrams will require new quantitative descriptors. We believe such a framework will enable a paradigm shift in the description and design of future engineering materials.

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