A computational framework to establish data-driven constitutive models for time- or path-dependent heterogeneous solids

We propose and implement a computational procedure to establish data-driven surrogate constitutive models for heterogeneous materials. We study the multiaxial response of non-linear n-phase composites via Finite Element (FE) simulations and computational homogenisation. Pseudo-random, multiaxial, non-proportional histories of macroscopic strain are imposed on volume elements of n-phase composites, subject to periodic boundary conditions, and the corresponding histories of macroscopic stresses and plastically dissipated energy are recorded. The recorded data is used to train surrogate, phenomenological constitutive models based on neural networks (NNs), and the accuracy of these models is assessed and discussed. We analyse heterogeneous composites with hyperelastic, viscoelastic or elastic–plastic local constitutive descriptions. In each of these three cases, we propose and assess optimal choices of inputs and outputs for the surrogate models and strategies for their training. We find that the proposed computational procedure can capture accurately and effectively the response of non-linear n-phase composites subject to arbitrary mechanical loading.

Proton switching molecular magnetoelectricity

The convergence of proton conduction and multiferroics is generating a compelling opportunity to achieve strong magnetoelectric coupling and magneto-ionics, offering a versatile platform to realize molecular magnetoelectrics. Here we describe machine learning coupled with additive manufacturing to accelerate the design strategy for hydrogen-bonded multiferroic macromolecules accompanied by strong proton dependence of magnetic properties. The proton switching magnetoelectricity occurs in three-dimensional molecular heterogeneous solids. It consists of a molecular magnet network as proton reservoir to modulate ferroelectric polarization, while molecular ferroelectrics charging proton transfer to reversibly manipulate magnetism. The magnetoelectric coupling induces a reversible 29% magnetization control at ferroelectric phase transition with a broad thermal hysteresis width of 160 K (192 K to 352 K), while a room-temperature reversible magnetic modulation is realized at a low electric field stimulus of 1 kV cm−1. The findings of electrostatic proton transfer provide a pathway of proton mediated magnetization control in hierarchical molecular multiferroics.

Volume Integral Equation Method (VIEM)

A number of analytical techniques are available for the stress analysis of inclusion problems when the geometries of inclusions are simple (e.g., cylindrical, spherical or ellipsoidal) and when they are well separated [9, 41, 52]. However, these approaches cannot be applied to more general problems where the inclusions are anisotropic and arbitrary in shape, particularly when their concentration is high. Thus, stress analysis of heterogeneous solids or analysis of elastic wave scattering problems in heterogeneous solids often requires the use of numerical techniques based on either the finite element method (FEM) or the boundary integral equation method (BIEM). However, these methods become problematic when dealing with elastostatic problems or elastic wave scattering problems in unbounded media containing anisotropic and/or heterogeneous inclusions of arbitrary shapes. It has been demonstrated that the volume integral equation method (VIEM) can overcome such difficulties in solving a large class of inclusion problems [6,10,20,21,28–30]. One advantage of the VIEM over the BIEM is that it does not require the use of Green’s functions for anisotropic inclusions. Since the elastodynamic Green’s functions for anisotropic media are extremely difficult to calculate, the VIEM offers a clear advantage over the BIEM. In addition, the VIEM is not sensitive to the geometry or concentration of the inclusions. Moreover, in contrast to the finite element method, where the full domain needs to be discretized, the VIEM requires discretization of the inclusions only.

Коррелированное накопление микротрещин при ударном повреждении поверхности α-кварца, аморфизованной имплантацией ионами Ar-=SUP=-+-=/SUP=-

The microcrack accumulation in impact damaged -quartz plates prior to and after the Ar+-ion implantation was studied with the acoustical emission (AE) method. The 40 keV implantation doses of 1014 and 1016 ion/cm2 were applied. The statistical analysis of the energy distribution in impact-induced AE time series detected in unirradiated samples showed a random (poissonian type) accumulation of defects which is specific for mechanical destruction of homogeneous brittle materials. The energy distribution in the AE time series excited when damaging the preliminary implanted samples followed a power law typical for the fracture of heterogeneous solids such as rocks, ceramics, etc. The optical photography evidenced a transition from brittle (prior to implantation) to ductile damage formation caused by the disturbed interconnectivity of the crystalline structure in irradiated specimens.