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A finite‐element (FE) analysis of the active bistability of an antagonistic shape memory alloy (SMA) beam actuator of TiNiCu is presented. The actuator comprises two coupled SMA beams that are clamped at both ends and coupled in their center by a spacer having different memory shapes being deflected in opposite out‐of‐plane directions. The actuator is characterized by two equilibrium positions. To determine bistable behavior as a function of geometrical parameters, a force criterion is defined by the coupling force of the beams in austenitic and martensitic states. Bistable behavior is achieved, if the coupling force does not change sign in the entire displacement range. This implies that the austenitic beam dominates the opposing martensitic beam. Thus, selective heating of the SMA beams results in a snap‐through motion of the coupled SMA beams. Depending on which of the two beams is in austenitic state, either of the two equilibrium positions is reached without the need for an external force. It is demonstrated that geometrical parameters like initial predeflection and spacer length have a crucial effect on the bistable performance. Bistable regions as well as critical limits characterized by geometry‐dependent stability ratios, beyond which the actuator's performance becomes monostable, are identified. [ABSTRACT FROM AUTHOR]

Wear at the male–female interface of retentive elements in implant-supported removable prostheses is the most frequent complication in such applications. The lack of an ideal/optimal insertion path, as well as the fabrication inaccuracies, are the primary contributors to this issue. A male attachment with a common ball anchor enhanced by lateral flexibility was investigated as a solution, compared to the widely used rigid ball anchor design. A parametric finite element analysis was performed to compare the wear-inducing maximum strain at the female polymer counterpart by various attachment designs made from titanium and Nitinol. The evolution of mechanical strains causing wear in the female part, as well as the contribution of stresses and martensitic transformation in the implant's flexible shaft, were evaluated under several insertion misfit scenarios. Results indicate that introducing a long flexible shaft in the titanium implant reduced maximum strains in the female attachment part by up to 61% as compared to the solid ball anchor. Further improvement was observed by using the shape memory alloy Nitinol as shaft material, leading to a minor reduction in stress and strain at the contact surface but allowing for a shorter abutment. Finally, the optimized Nitinol implant design with a short, necked flexible shaft promoting martensitic transformation at low plateau stress resulted in an approximate 90% reduction in maximum strains at the inner surface of the female part during manual insertion, which indicates a significantly reduced wear phenomenon at the contact. [ABSTRACT FROM AUTHOR]

BaTiO3 (BT), a lead‐free ferroelectric material, is employed in energy‐conversion devices, including actuators and capacitors. However, its ferroelectric properties, such as the piezoelectric coefficient and Curie temperature, fall short of those of harmful lead‐based ferroelectrics, such as Pb(Zrx, Ti1−x)O3. In this study, a BT crystal is examined under biaxial strain (i.e., strain in the a‐ and b‐directions of the unit cell) to investigate the alterations in its ferroelectric properties. The piezoelectric coefficient, Curie temperature, polarization magnitude, and coercive electric field are calculated under varying biaxial strains using molecular dynamics simulations. The simulations utilize a core–shell‐type interatomic potential developed from first‐principles electronic structure calculations. In the findings, it is revealed that 1) the Curie temperature, polarization magnitude, and coercive electric field increase, whereas the piezoelectric coefficient in the c‐direction decreases under biaxial compression; 2) modifications in the ferroelectric properties depend on the area of ab‐plane and not on its aspect ratio. Comprehensive analyses of the Ti‐displacement distribution offer microscopic insights into strain‐induced shifts in ferroelectric properties. [ABSTRACT FROM AUTHOR]

BaTiO3 is a well-known piezoelectric material with commercial uses. The ferroelectric state of BaTiO3 generally comprises electrically polarized domains separated by domain walls (DWs). The DW alters local polarization vectors by an angle of 90° for 90° DW or 180° for 180° DW. The DW is crucial to piezoelectric properties such as response time and fatigue. Furthermore, the DW structure and its dynamics in BaTiO3 are not well understood. Hence, for the first time, we theoretically obtained the atomistic structure of the 90° DW via molecular dynamics simulations at 300 K with the core–shell interatomic potential, using a large-scale system with a side length of 2.8 × 10 3 Å. The width of the 90° DW thereby obtained was approximately 30 Å, which was 20 Å wider than that of the 180° DW. Under the external electric field E → ext parallel to the DW, we observed an extension of a domain having a polarization vector with a positive component along the E → ext -direction. The migration velocity of the 90° DW was approximately two times that of the 180° DW at the same E ext in the range 7 – 20 MV / m. For E ext ≥ 15 MV / m , the migration velocity of the 90° DW in the direction with a positive component along the polarization vector of the extending domain was substantially higher than that in the opposite direction. The physical causes of the difference in the migration velocities of the 90° DW in the two directions were analyzed. [ABSTRACT FROM AUTHOR]

BaTiO3 is a well-known piezoelectric material, which is widely used in various devices. In general, the ferroelectric state of BaTiO3 is composed of polarized domains. The growth of these domains due to an applied electric field or stress is related to the piezoelectric performance. We investigated the effects of various point defects, monovacancies {VBa, VTi, VO}, and first- and second-neighbor divacancies {VBa–VO, VTi–VO} on polarized domain growth in BaTiO3 under an applied electric field by molecular dynamics simulations using the core–shell inter-atomic potential. We found that (i) the first-neighbor divacancy VBa–VO is the most effective in assisting the domain growth under an applied electric field (i.e., a smaller coercive electric field) in an asymmetrical manner with respect to the electric field direction. This is mainly due to the creation of an electric field around VBa–VO by significant Ti shifts toward VBa with the assistance of VO. (ii) Domain growth proceeds in a 1 + 2 dimensional manner. The domain growth velocity in the direction of the applied electric field is approximately two orders of magnitude higher than that in the perpendicular direction. (iii) Increasing the density of the divacancy VBa–VO further lowers the coercive electric field when the applied electric field is parallel to the divacancy dipoles. The present results will be essential for designing the type, orientation, and density of defects to modify the coercive electric field of BaTiO3 in defect engineering. [ABSTRACT FROM AUTHOR]

Polarization switching in ferroelectric hysteresis of BaTiO3 proceeds by localized nucleation and subsequent growth of domains of reverse polarization. While this process is driven by the applied electric field, thermal activation can play an important role in domain nucleation. As a consequence of the stochastic nature of thermal activation, coercive fields in small systems exhibit a significant scatter. It is demonstrated that the statistics of coercive fields observed in molecular dynamics simulations is consistent with the statistical distribution expected for field-assisted thermally activated nucleation of reverse polarization domains. The excellent quantitative agreement between the simulation data and the theory of thermally activated processes provides strong evidence that polarization switching occurs by nucleation-and-growth rather than loss of the local minimum of the Gibbs free energy function. In a pristine crystal, switching is controlled by the field at which thermal fluctuations can create a critical nucleus in the bulk (homogeneous nucleation). The analysis of crystals with various vacancy-type defects demonstrates that such defects may enable heterogeneous nucleation at reduced fields. In both cases, the statistical analysis gives access to the respective activation energies, their field dependence, and the sizes of the critical nuclei. [ABSTRACT FROM AUTHOR]

This article examines how politicization has affected the ratification of the EU–Canada Comprehensive Economic and Trade Agreement (CETA) in EU member states. The study is based on the conceptual framework of discursive postfunctionalism. This approach builds on postfunctionalist arguments about the constraining impact of politicization on national governments' EU-related policy making, but seeks to specify them further by examining mediating factors between political contestation and decisions of national policy makers. We test the explanatory power of discursive postfunctionalism by combining a comparative overview of CETA-related politicization and ratification patterns in all EU member states with in-depth case studies of five states that have seen particularly intense public contestation. Our research shows that politicization does not necessarily prevent the ratification of CETA; rather, its effects on policy making are mitigated by institutional provisions on the involvement of domestic institutions, the composition of government coalitions, and the discursive strategies of national governments. [ABSTRACT FROM AUTHOR]