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Ferroelectric materials often experience fracture and dielectric breakdown under large mechanical and/or electrical loads. These two failure behaviors can affect each other and may lead to new phenomena. This study predicts a new type of jumping dielectric breakdown during crack propagation in ferroelectric materials using a phase field model involving multiple order parameters. The driving forces for the evolution of polarization, fracture, and dielectric breakdown were analysed based on the concept of configurational forces. The jumping dielectric breakdown was attributed to the competition between crack propagation and breakdown initiation at the moving crack tip. The breakdown pattern is related to the polarization domain structure and is significantly influenced by the applied electric field and crack boundary conditions. Furthermore, the jumping breakdown associated with possible mechanical degradation of the material can change the driving and resistance forces for crack propagation. This study introduces a novel dielectric breakdown behavior during crack propagation and provides new insights into the coupling failure of ferroelectric materials. [ABSTRACT FROM AUTHOR]

• The proposed multiscale framework effectively connects quantum, nano-, micro- and macroscale phenomena. • Surface eigenstress model combined with symbolic regression to obtain constitutive equations for finite element calculation. • Generative design method for mapping electrochemical actuator structures using 0 s and 1 s number sequences. • Surrogate model improves optimization efficiency by at least 5 orders of magnitude over using finite element calculations. • Pareto optimization theory for obtaining structures with both large actuation strain and high effective Young's modulus. Nanoporous materials (NMs) immersed in electrolytes can achieve approximately 1 % deformation at a low operating voltage of about 1 V. The actuation renders them promising artificial muscles. The actuation performance significantly hinges on the structure and size of nanopores and ligaments in NMs. Consequently, designing an optimal configuration is imperative for excellent performance. The actuation mechanism of NMs involves the coupling of multiple fields at various length scales, posing a formidable challenge to conventional simulation and design approaches. To surmount this challenge, we have developed a computational framework capable of conducting concurrent and sequential multiscale calculations. By utilizing artificial neural network (ANN) surrogate models trained on data obtained through the finite element method (FEM), the framework achieves optimized values for both actuation strain and effective Young's modulus within a designated design space. The constitutive model, which establishes the relationship between surface stress and charges in FEM, is derived from the surface eigenstress model and symbolic regression. This involves utilizing data calculated through joint density functional theory. This framework not only ensures the desired properties but also demonstrates its potential for effectively addressing other multiscale optimization problems. [Display omitted] [ABSTRACT FROM AUTHOR]

In the present work, we performed experiments, atomistic simulations, and high-resolution electron microscopy (HREM) to study the creep behaviors of the nanotwinned (nt) and nanograined (ng) copper at temperatures of 22 °C (RT), 40 °C, 50 °C, 60 °C, and 70 °C. The experimental data at various temperatures and different sustained stress levels provide sufficient information, which allows one to extract the deformation parameters reliably. The determined activation parameters and microscopic observations indicate transition of creep mechanisms with variation in stress level in the nt-Cu, i.e., from the Coble creep to the twin boundary (TB) migration and eventually to the perfect dislocation nucleation and activities. The experimental and simulation results imply that nanotwinning could be an effective approach to enhance the creep resistance of twin-free ng-Cu. The experimental creep results further verify the newly developed formula (Yang et al., 2016) that describes the time-, stress-, and temperature-dependent plastic deformation in polycrystalline copper. [ABSTRACT FROM AUTHOR]