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It is demonstrated based on continuum mechanics modeling and simulation that it is possible to obtain polycrystalline ceramic ferroelectric materials which beggars single crystals in electromechanical properties. The local inhomogeneities…

Materials Science · Physics 2010-11-15 K. P. Jayachandran , J. M. Guedes , H. C. Rodrigues

Ferroelectrics have a spontaneous electrical polarization that is arranged into domains and can be reversed by an externally applied field. This high versatility makes them useful in enabling components such as capacitors, sensors, and…

Materials Science · Physics 2025-10-29 J. Schultheiß , G. Picht , J. Wang , Y. A. Genenko , L. Q. Chen , J. E. Daniels , J. Koruza

High-strain piezoelectric materials are often ceramics with a complicated constitution. In particular, PZT is used with compositions near to a so-called morphotropic phase boundary, where not only different variants of the same phase…

Materials Science · Physics 2009-11-11 Johannes Rödel

Non-cubic crystals exhibit anisotropic physical and functional properties. Microscopic crystallites as constituents of polycrystalline materials are randomly oriented, thus polycrystalline ceramics lack the anisotropic properties of their…

Applied Physics · Physics 2018-07-20 Alexander S. Sokolov , Vincent G. Harris

Polarization dynamics in ferroelectric materials are explored via the automated experiment in Piezoresponse Force Spectroscopy. A Bayesian Optimization framework for imaging is developed and its performance for a variety of acquisition and…

Disordered Systems and Neural Networks · Physics 2021-06-24 Rama K. Vasudevan , Kyle Kelley , Jacob Hinkle , Hiroshi Funakubo , Stephen Jesse , Sergei V. Kalinin , Maxim Ziatdinov

This work presents a study on the computational homogenization of electro-magneto-mechanically coupled problems through the Virtual Element Method (VEM). VE-approaches have great potential for the homogenization of the physical properties…

Computational Engineering, Finance, and Science · Computer Science 2021-04-07 Christoph Böhm , Blaž Hudobivnik , Michele Marino , Peter Wriggers

In this work we aim to develop a unified mathematical framework and a reliable computational approach to model the brittle fracture in heterogeneous materials with variability in material microstructures, and to provide statistic metrics…

Materials Science · Physics 2022-08-10 Yiming Fan , Huaiqian You , Xiaochuan Tian , Xiu Yang , Xingjie Li , Naveen Prakash , Yue Yu

The present report describes a big data numerical study of crystal plasticity finite element (CPFE) modelling using static and grain-based meshing to investigate the dependence of the results on the discretization approach. Static mesh…

Materials Science · Physics 2023-02-01 Jingwei Chen , Zifan Wang , Alexander M. Korsunsky

Ongoing advances in scanning probe microscopy techniques are continually expanding the possibilities for nanoscale characterization and correlated studies of functional materials. Here, we demonstrate how a recent extension of piezoresponse…

Materials Science · Physics 2026-01-21 Ruben Dragland , Jan Schultheiß , Ivan N. Ushakov , Roger Proksch , Dennis Meier

Ferroelectrics are multifunctional smart materials finding applications in sensor technology, micromechanical actuation, digital information storage etc. Their most fundamental property is the ability of polarization switching under applied…

Materials Science · Physics 2022-06-27 Yuri A. Genenko , Sergey Zhukov , Maohua Zhang , Ke Wang , Jurij Koruza

In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special…

Materials Science · Physics 2015-06-22 Junkai Deng , Alex Zunger , Jefferson Zhe Liu

Strong coupling between electrical and mechanical phenomena and the presence of switchable polarization have enabled applications of ferroelectric materials for nonvolatile memories (FeRAM), data storage, and ferroelectric lithography.…

The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…

Materials Science · Physics 2024-10-23 Saswat Mishra , Alejandro Strachan

The onset of nonlinear effects in metals, such as plasticity and damage, is strongly influenced by the heterogeneous stress distribution at the grain level. This work is devoted to studying the local stress distribution of shear stresses…

Materials Science · Physics 2022-07-26 Flavia Gehrig , Daniel Wicht , Maximilian Krause , Thomas Böhlke

General microscopic mechanism of ferroelectric ordering in chiral smectic C* liquid crystals is considered. It is shown that if the mesogenic molecules have a sufficiently low symmetry, the spontaneous polarization is proportional to one of…

Soft Condensed Matter · Physics 2009-11-13 M. A. Osipov , M. V. Gorkunov

Ferroelectric materials display exotic polarization textures at the nanoscale that could be used to improve the energetic efficiency of electronic components. The vast majority of studies were conducted in two dimensions on thin films, that…

Ferroelectric materials exhibit a switchable, spontaneous polarization at the unit cell level--an attractive property utilized in many emerging technologies including, among others, high-density memory storage, low-power transistors, and…

Materials Science · Physics 2026-01-15 Claire Griesbach , Tizian Scharsach , Morgan Trassin , Dennis M. Kochmann

Remarkable exploitation of valence and lattice mismatch in epitaxial ferroelectric heterostructures generates physical effects not classically expected for perovskite oxides, such as 2D electron gas and polar skyrmions. However the…

Physical properties and functionalities of materials are dictated by global crystal structures as well as local defects. To establish a structure-property relationship, not only the crystallographic symmetry but also quantitative knowledge…

In this study, we propose a design methodology for a piezoelectric energy-harvesting device optimized for maximal power generation at a designated frequency using topology optimization. The proposed methodology is adapted to the design of a…

Computational Engineering, Finance, and Science · Computer Science 2024-08-07 Ken Miyajima , Takayuki Yamada
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