No Arabic abstract
We present a general prediction scheme of failure times based on updating continuously with time the probability for failure of the global system, conditioned on the information revealed on the pre-existing idiosyncratic realization of the system by the damage that has occurred until the present time. Its implementation on a simple prototype system of interacting elements with unknown random lifetimes undergoing irreversible damage until a global rupture occurs shows that the most probable predicted failure time (mode) may evolve non-monotonically with time as information is incorporated in the prediction scheme. In addition, both the mode, its standard deviation and, in fact, the full distribution of predicted failure times exhibit sensitive dependence on the realization of the system, similarly to ``chaos in spinglasses, providing a multi-dimensional dynamical explanation for the broad distribution of failure times observed in many empirical situations.
The failure of adhesive bondlines has been studied at the microscopic level via tensile tests. Stable crack propagation could be generated by means of samples with improved geometry, which made in-situ observations possible. The interaction of cracks with adhesive bondlines under various angles to the crack propagation was the focus of this study as well as the respective loading situations for the adhesives UF, PUR, and PVAc, which have distinctly different mechanical behaviors. It is shown how adhesive properties influence the occurrence of certain failure mechanisms and determine their appearance and order of magnitude. With the observed failure mechanisms, it becomes possible to predict the propagation path of a crack through the specimen.
Compositional disorder induces myriad captivating phenomena in perovskites. Target-driven discovery of perovskite solid solutions has been a great challenge due to the analytical complexity introduced by disorder. Here, we demonstrate that an unsupervised deep learning strategy can find fingerprints of disordered materials that embed perovskite formability and underlying crystal structure information by learning only from the chemical composition, manifested in (A1-xAx)BO3 and A(B1-xBx)O3 formulae. This phenomenon can be capitalized to predict the crystal symmetry of experimental compositions, outperforming several supervised machine learning (ML) algorithms. The educated nature of material fingerprints has led to the conception of analogical materials discovery that facilitates inverse exploration of promising perovskites based on similarity investigation with known materials. The search space of unstudied perovskites is screened from ~600,000 feasible compounds using experimental data powered ML models and automated web mining tools at a 94% success rate. This concept further provides insights on possible phase transitions and computational modelling of complex compositions. The proposed quantitative analysis of materials analogies is expected to bridge the gap between the existing materials literature and the undiscovered terrain.
Using the simplest possible ingredients of a rupture model with thermal fluctuations, we provide an analytical theory of three ubiquitous empirical observations obtained in creep (constant applied stress) experiments: the initial Andrade-like and Omori-like $1/t$ decay of the rate of deformation and of fiber ruptures and the $1/(t_c-t)$ critical time-to-failure behavior of acoustic emissions just prior to the macroscopic rupture. The lifetime of the material is controlled by a thermally activated Arrhenius nucleation process, describing the cross-over between these two regimes. Our results give further credit to the idea proposed by Ciliberto et al. that the tiny thermal fluctuations may actually play an essential role in macroscopic deformation and rupture processes at room temperature. We discover a new re-entrant effect of the lifetime as a function of quenched disorder amplitude.
Potentials that could accurately describe the irradiation damage processes are highly desired to figure out the atomic-level response of various newly-discovered materials under irradiation environments. In this work, we introduce a deep-learning interatomic potential for monolayer MoS2 by combining all-electron calculations, an active-learning sampling method and a hybrid deep-learning model. This potential could not only give an overall good performance on the predictions of near-equilibrium material properties including lattice constants, elastic coefficients, energy stress curves, phonon spectra, defect formation energy and displacement threshold, but also reproduce the ab initial irradiation damage processes with high quality. Further irradiation simulations indicate that one single highenergy ion could generate a large nanopore with a diameter of more than 2 nm, or a series of multiple nanopores, which is qualitatively verified by the subsequent 500 keV Au+ ion irradiation experiments. This work provides a promising and feasible approach to simulate irradiation effects in enormous newly-discovered materials with unprecedented accuracy.
We formulate the problem of probabilistic predictions of global failure in the simplest possible model based on site percolation and on one of the simplest model of time-dependent rupture, a hierarchical fiber bundle model. We show that conditioning the predictions on the knowledge of the current degree of damage (occupancy density $p$ or number and size of cracks) and on some information on the largest cluster improves significantly the prediction accuracy, in particular by allowing to identify those realizations which have anomalously low or large clusters (cracks). We quantify the prediction gains using two measures, the relative specific information gain (which is the variation of entropy obtained by adding new information) and the root-mean-square of the prediction errors over a large ensemble of realizations. The bulk of our simulations have been obtained with the two-dimensional site percolation model on a lattice of size $L times L=20 times 20$ and hold true for other lattice sizes. For the hierarchical fiber bundle model, conditioning the measures of damage on the information of the location and size of the largest crack extends significantly the critical region and the prediction skills. These examples illustrate how on-going damage can be used as a revelation of both the realization-dependent pre-existing heterogeneity and the damage scenario undertaken by each specific sample.