A Novel Approach to a Piezoelectric Sensing Element

Piezoelectric materials have commonly been used in pressure and stress sensors; however, many designs consist of thin plate structures that produce small voltage signals when they are compressed or extended under a pressure field. This study used finite element methods to design a novel piezoelectric pressure sensor with a C-shaped piezoelectric element and determine if the voltage signal obtained during hydrostatic pressure application was enhanced compared to a standard thin plate piezoelectric element. The results of this study demonstrated how small deformations of this C-shaped sensor produced a large electrical signal output. It was also shown that the location of the electrodes for this sensor needs to be carefully chosen and that the electric potential distribution varies depending on the poling of the piezoelectric element. This study indicated that the utilization of piezoelectric materials of different shapes and geometries embedded in a polymer matrix for sensing applications has several advantages over thin plate solid piezoelectric structures

Photoelectrochemical behavior of the ternary heterostructured systems CdS/WO3/TiO2

In this article, we report the results of comparative studies of photoelectrochemical behavior of the binary CdS/TiO2 and WO3/TiO2 and ternary CdS/WO3/TiO2 heterostructures based on titania nanotube and planar structures. Physical–chemical characterization by XRD, XPS, and electron microscopy methods together with electrochemical impedance spectroscopy measurements confirm a successful formation of heterostructured electrodes, both nanotube-based and planar. The results of photoelectrochemical studies of the heterostructures demonstrate a significant difference in their behavior depending on the structure geometry and the character of the formed heterojunctions. It is concluded that nanotube-based heterostructure electrodes can be characterized by a stochastic set of different heterojunctions while planar systems demonstrate well-ordered heterojunctions with a strictly defined electron transfer direction. Particularly, we demonstrate the possibility of the realization of Z-scheme of photoexcitation and charge separation in ternary planar systems under visible light irradiation

GPflux: A Library for Deep Gaussian Processes

We introduce GPflux, a Python library for Bayesian deep learning with a strong emphasis on deep Gaussian processes (DGPs). Implementing DGPs is a challenging endeavour due to the various mathematical subtleties that arise when dealing with multivariate Gaussian distributions and the complex bookkeeping of indices. To date, there are no actively maintained, open-sourced and extendable libraries available that support research activities in this area. GPflux aims to fill this gap by providing a library with state-of-the-art DGP algorithms, as well as building blocks for implementing novel Bayesian and GP-based hierarchical models and inference schemes. GPflux is compatible with and built on top of the Keras deep learning eco-system. This enables practitioners to leverage tools from the deep learning community for building and training customised Bayesian models, and create hierarchical models that consist of Bayesian and standard neural network layers in a single coherent framework. GPflux relies on GPflow for most of its GP objects and operations, which makes it an efficient, modular and extensible library, while having a lean codebase

Intermediate states at structural phase transition: Model with a one-component order parameter coupled to strains

We study a Ginzburg-Landau model of structural phase transition in two dimensions, in which a single order parameter is coupled to the tetragonal and dilational strains. Such elastic coupling terms in the free energy much affect the phase transition behavior particularly near the tricriticality. A characteristic feature is appearance of intermediate states, where the ordered and disordered regions coexist on mesoscopic scales in nearly steady states in a temperature window. The window width increases with increasing the strength of the dilational coupling. It arises from freezing of phase ordering in inhomogeneous strains. No impurity mechanism is involved. We present a simple theory of the intermediate states to produce phase diagrams consistent with simulation results.Comment: 16 pages, 14 figure

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.Comment: 95 pages, 48 figure

Simulations of cubic-tetragonal ferroelastics

We study domain patterns in cubic-tetragonal ferroelastics by solving numerically equations of motion derived from a Landau model of the phase transition, including dissipative stresses. Our system sizes, of up to 256^3 points, are large enough to reveal many structures observed experimentally. Most patterns found at late stages in the relaxation are multiply banded; all three tetragonal variants appear, but inequivalently. Two of the variants form broad primary bands; the third intrudes into the others to form narrow secondary bands with the hosts. On colliding with walls between the primary variants, the third either terminates or forms a chevron. The multipy banded patterns, with the two domain sizes, the chevrons and the terminations, are seen in the microscopy of zirconia and other cubic-tetragonal ferroelastics. We examine also transient structures obtained much earlier in the relaxation; these show the above features and others also observed in experiment.Comment: 7 pages, 6 colour figures not embedded in text. Major revisions in conten

Plastic Flow in Two-Dimensional Solids

A time-dependent Ginzburg-Landau model of plastic deformation in two-dimensional solids is presented. The fundamental dynamic variables are the displacement field \bi u and the lattice velocity {\bi v}=\p {\bi u}/\p t. Damping is assumed to arise from the shear viscosity in the momentum equation. The elastic energy density is a periodic function of the shear and tetragonal strains, which enables formation of slips at large strains. In this work we neglect defects such as vacancies, interstitials, or grain boundaries. The simplest slip consists of two edge dislocations with opposite Burgers vectors. The formation energy of a slip is minimized if its orientation is parallel or perpendicular to the flow in simple shear deformation and if it makes angles of $\pm \pi/4$ with respect to the stretched direction in uniaxial stretching. High-density dislocations produced in plastic flow do not disappear even if the flow is stopped. Thus large applied strains give rise to metastable, structurally disordered states. We divide the elastic energy into an elastic part due to affine deformation and a defect part. The latter represents degree of disorder and is nearly constant in plastic flow under cyclic straining.Comment: 16pages, Figures can be obtained at http://stat.scphys.kyoto-u.ac.jp/index-e.htm

Phase field approach with anisotropic interface energy and interface stresses: Large strain formulation

A thermodynamically consistent, large-strain, multi-phase field approach (with consequent interface stresses) is generalized for the case with anisotropic interface (gradient) energy (e.g. an energy density that depends both on the magnitude and direction of the gradients in the phase fields). Such a generalization, if done in the “usual” manner, yields a theory that can be shown to be manifestly unphysical. These theories consider the gradient energy as anisotropic in the deformed configuration, and, due to this supposition, several fundamental contradictions arise. First, the Cauchy stress tensor is non-symmetric and, consequently, violates the moment of momentum principle, in essence the Herring (thermodynamic) torque is imparting an unphysical angular momentum to the system. In addition, this non-symmetric stress implies a violation of the principle of material objectivity. These problems in the formulation can be resolved by insisting that the gradient energy is an isotropic function of the gradient of the order parameters in the deformed configuration, but depends on the direction of the gradient of the order parameters (is anisotropic) in the undeformed configuration. We find that for a propagating nonequilibrium interface, the structural part of the interfacial Cauchy stress is symmetric and reduces to a biaxial tension with the magnitude equal to the temperature- and orientation-dependent interface energy. Ginzburg–Landau equations for the evolution of the order parameters and temperature evolution equation, as well as the boundary conditions for the order parameters are derived. Small strain simplifications are presented. Remarkably, this anisotropy yields a first order correction in the Ginzburg–Landau equation for small strains, which has been neglected in prior works. The next strain-related term is third order. For concreteness, specific orientation dependencies of the gradient energy coefficients are examined, using published molecular dynamics studies of cubic crystals. In order to consider a fully specified system, a typical sixth order polynomial phase field model is considered. Analytical solutions for the propagating interface and critical nucleus are found, accounting for the influence of the anisotropic gradient energy and elucidating the distribution of components of interface stresses. The orientation-dependence of the nonequilibrium interface energy is first suitably defined and explicitly determined analytically, and the associated width is also found. The developed formalism is applicable to melting/solidification and crystal-amorphous transformation and can be generalized for martensitic and diffusive phase transformations, twinning, fracture, and grain growth, for which interface energy depends on interface orientation of crystals from either side

Data for "Interaction between carbon partitioning and carbide nucleation inside austenite during a bainitic type transformation." Part 2

Backup001_xxx.dat, Backup002_xxx.dat and Backup003_xxx.dat contain distributions of order parameters. Backup004_xxx.dat contains the carbon concentration distribution. "Carbon distribution and structural boundary .xmcd" file is mathcad file for data plotting. Evolution.dat contains the output of energy components and volume fractions during simulation. "Volume Fractions .xlsx" contains plots of evolution of phase fractions, carbon concentration and number of carbides