Computational modelling of complex multiphase behavior of environmentally-friendly materials for sustainable technological solutions
arxiv(2024)
摘要
This research introduces a detailed computational framework designed to
analyze and forecast the complex multiphase characteristics of eco-friendly
lead-free piezoelectric materials, which are essential for developing
sustainable technological advancements. Lead-free piezoelectric materials have
a significant thermo-electromechanical response, although their
electromechanical characteristics vary throughout different phases of the
material. Lead-free piezoelectric materials undergo phase changes, including
rhombohedral (R3c), orthorhombic (Pnma), tetragonal (P4bm), and cubic (Cc)
phases, when the temperature changes. These phases are determined by the
symmetry and alignment of the ferroelectric domains. Furthermore, multiple
phases exist simultaneously under certain temperature, electrical, and
mechanical conditions, resulting in the material displaying intricate
multiphase behavior. Studying such behaviour is crucial for evaluating the
performance of these materials. The computational approach in this research
relies on Landau-Ginzburg-Devonshire theory to model micro-domain phase changes
in the material. This research will enhance our comprehension of the
significance of complex multiphase behaviour in creating environment-friendly
and sustainable technological solutions.
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