Role of Computational Material Science in Improving the Properties of Piezoelectric Smart Materials: A Review

Document Type

Article

Publication Title

Engineering Proceedings

Abstract

Piezoelectric smart materials have gained significant attention in various technological applications due to their ability to convert mechanical energy into electrical energy and vice versa. These materials have diverse energy harvesting, sensing, actuation, and biomedical engineering applications. Research investigations on piezoelectric smart materials encompass many areas, including material development, characterization, modeling, device design, and manufacturing techniques. Computational material science is crucial in advancing these materials’ understanding, design, and optimization. This research paper aims to provide an overview of the computational approaches employed in piezoelectric smart materials. The state-of-the-art computational techniques used for modeling piezoelectric materials are reviewed, and their applications in device design are explored along with performance optimization. This comprehensive review highlights the potential of computational material science in shaping the future of piezoelectric smart materials. It is observed that density functional theory and molecular dynamics are commonly used techniques. At the same time, finite element and phase field methods are employed for specific applications requiring continuum modeling or phase evolution simulations. Further exploration reveals that computational material science optimizes existing smart materials’ structural and compositional parameters through modeling and simulation. This improves properties such as enhanced performance, increased durability, and greater functionality. In addition, computational material science is employed to design and predict the properties of new piezoelectric materials by utilizing advanced modeling techniques, enabling the discovery and development of materials with tailored piezoelectric properties for specific applications. Recent research advancements in piezoelectric smart materials have contributed to developing materials with improved properties, advanced fabrication techniques, and expanded application possibilities. These advancements have paved the way for the realization of innovative devices and systems that harness the unique capabilities of piezoelectric materials.

DOI

10.3390/engproc2023059021

Publication Date

1-1-2023

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