相关论文: Fatigue effect on polarization switching dynamics …
The chaotic properties of the three-site antiferromagnetic Ising model on Husimi tree are investigated in magnetic field. Macroscopic quantity of three-site antiferromagnetic Ising model is generated by one dimensional map. It is shown that…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
We study the fatigue fracture of disordered materials by means of computer simulations of a discrete element model. We extend a two-dimensional fracture model to capture the microscopic mechanisms relevant for fatigue, and we simulate the…
The Random-Field Ising Model (RFIM) has been extensively studied as a model system for understanding the effects of disorder in magnets. Since the late 1970s, there has been a particular focus on realizations of the RFIM in site-diluted…
Effect of randomness in the double-exchange model is studied. Large fluctuations and spatial random distribution of impurities are taken into account in an essentially exact manner by using the Monte Carlo calculation. The randomness…
A new isotropic magneto-elastic phase field crystal (PFC) model to study the relation between morphological structure and magnetic properties of pure ferromagnetic solids is introduced. Analytic calculations were used to determine the phase…
When subjected to electro-mechanical loading, ferroelectrics see their polarization evolve through the nucleation and evolution of domains. Existing mesoscale phase-field models for ferroelectrics are typically based on a gradient-descent…
In this work, a recently proposed high-cycle fatigue cohesive zone model, which covers crack initiation and propagation with limited input parameters, is embedded in a robust and efficient numerical framework for simulating progressive…
Repetitive loading of bone is associated with microdamage accumulation and material property degradation that may ultimately result in fatigue fracture. Our previous work used continuum damage mechanics (CDM)-based finite element (FE)…
Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…
We present a generalised phase field formulation for predicting high-cycle fatigue in metals. Different fatigue degradation functions are presented, together with new damage accumulation strategies, to account for (i) a typical S-N curve…
Ferroelectric interfaces are unique model objects for fundamental studies of polar surface properties such as versatile screening mechanisms of spontaneous polarization by free carriers and possible ion exchange with ambient media. The…
The recently proposed dynamical effective field model (DEFM) is quantitatively accurate for describing dynamical magnetic response of ferrofluids. In paper I it is derived under the framework of dynamical density functional theory, via…
A micromorphic computational homogenization framework has recently been developed to deal with materials showing long-range correlated interactions, i.e. displaying patterning modes. Typical examples of such materials are elastomeric…
One of the advantages of the phase-field method (PFM) is its ability to incorporate elastic interactions that dominate solid-state processes including phase transformations and plastic deformation. As mechanical equilibrium is attained much…
The effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate titanate (PZT) thin film was systematically investigated. It was found that electrical fatigue strongly affects the Rayleigh behaviour of the…
Piezoresponse force microscopy (PFM) is a powerful tool for probing nanometer-scale ferroelectric and piezoelectric properties. Hysteretic switching of the phase and amplitude of the PFM response are believed to be the hallmark of…
We present an extension of the standard polarizable quantum mechanic/molecular mechanics (QM/MM) approach for treating environmental effects on excited state properties of embedded systems. A quantum polarizable atom model is derived from a…
The switching of electric polarization induced by electric fields -a fundamental functionality of ferroelectrics- is closely associated with the motions of the domain walls that separate regions with distinct polarization directions.…
Thermodynamic properties of the helical spins with magnetoelectric coupling is simulated by Monte Carlo algorithm. It is shown that the spin-spin correlations are affected by the thermal fluctuations and the electric field. Results for the…