Modeling-based mechanistic insights into the role of barium titanate shape and microstructural defects in coupled-field responses of piezoelectric nanocomposites

IF 12.7 1区材料科学 Q1 ENGINEERING, MULTIDISCIPLINARY

Composites Part B: Engineering Pub Date : 2025-06-28 DOI:10.1016/j.compositesb.2025.112755

Alireza Moradi , Reza Ansari , Mohammad Kazem Hassanzadeh-Aghdam , Saeid Sahmani , Sung-Hwan Jang

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Abstract

Barium titanate (BT) nanofillers play a crucial role in polymer nanocomposites due to their remarkable intrinsic properties, which markedly improve the effectiveness of energy conversion. However, the synthesis of BT nanofillers in varied structural profiles, such as nanowires, nanoplatelets, and nanoparticles, along with their dispersion within the polymer matrix, exerts a substantial impact on the overall performance of the nanocomposite. Non-uniform nanofiller dispersion is inherently tied to the development of microstructural defects, including poor compatibility between phases, the formation of voids, and nanofiller agglomeration. This study investigates the influence of BT nanofiller shape and microstructural defects on the effective properties of BT/polydimethylsiloxane (PDMS) piezoelectric nanocomposites. Based on a micromechanics-based finite element framework, representative volume elements (RVEs) of the nanocomposite are generated using a morphology-centric computational simulation, and their Young's moduli, piezoelectric coefficients, and thermal expansion coefficients are subsequently predicted. The results indicate that establishing robust interphase regions, driven by enhanced interfacial compatibility, has a direct impact on elevating system functionality. Additionally, the adverse effects of void defects and nanofiller agglomeration on the effective properties are alleviated through void minimization and agglomerate breakdown.

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基于模型的压电纳米复合材料耦合场响应中钛酸钡形状和微观结构缺陷作用机理研究

钛酸钡（BT）纳米填料具有显著的内在特性，能显著提高聚合物纳米复合材料的能量转换效率，在聚合物纳米复合材料中起着至关重要的作用。然而，不同结构的BT纳米填料的合成，如纳米线、纳米片和纳米颗粒，以及它们在聚合物基体中的分散，对纳米复合材料的整体性能产生了实质性的影响。纳米填料的不均匀分散与微观结构缺陷的发展有着内在的联系，包括相间相容性差、空洞的形成和纳米填料团聚。研究了BT纳米填料形状和微观结构缺陷对BT/聚二甲基硅氧烷（PDMS）压电纳米复合材料有效性能的影响。基于微力学的有限元框架，采用以形貌为中心的计算模拟生成了纳米复合材料的代表性体积元，并对其杨氏模量、压电系数和热膨胀系数进行了预测。结果表明，在增强界面兼容性的驱动下，建立稳健的界面区域对提高系统功能有直接影响。此外，孔洞缺陷和纳米填料团聚对有效性能的不利影响通过孔洞最小化和团聚破坏得到缓解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Composites Part B: Engineering 工程技术-材料科学：复合

CiteScore

24.40

自引率

11.50%

发文量

784

审稿时长

21 days

期刊介绍： Composites Part B: Engineering is a journal that publishes impactful research of high quality on composite materials. This research is supported by fundamental mechanics and materials science and engineering approaches. The targeted research can cover a wide range of length scales, ranging from nano to micro and meso, and even to the full product and structure level. The journal specifically focuses on engineering applications that involve high performance composites. These applications can range from low volume and high cost to high volume and low cost composite development. The main goal of the journal is to provide a platform for the prompt publication of original and high quality research. The emphasis is on design, development, modeling, validation, and manufacturing of engineering details and concepts. The journal welcomes both basic research papers and proposals for review articles. Authors are encouraged to address challenges across various application areas. These areas include, but are not limited to, aerospace, automotive, and other surface transportation. The journal also covers energy-related applications, with a focus on renewable energy. Other application areas include infrastructure, off-shore and maritime projects, health care technology, and recreational products.