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Predicting synthesizability

Published

Author(s)

Albert Davydov, Ursula R. Kattner

Abstract

Advancements in multiscale multi-physics computational materials design have led to accelerated discovery of advanced materials for energy, electronics and engineering applications. For most bulk materials synthesizing and processing procedures are reasonably well established. This also applies to modelling tools that can be utilized for the understanding of phenomena occurring in these procedures. However, theoretical approaches have limited analytical power for predicting viable synthetic routes towards making entirely new materials. State-of-the-art in materials design needs to be complemented with substantial efforts in advancing the field of synthesis design. To increase predictive ability of material synthesizability, it is necessary to define both equilibrium and out-of-equilibrium descriptors that control synthetic routes and outcomes.
Citation
Journal of Physics D-Applied Physics
Volume
52

Keywords

synthesizability, materials design, computational methods
Created October 24, 2018, Updated February 12, 2019