A meso-scale analysis is performed to determine the fracture process zone of concrete subjected to uniaxial tension. The meso-structure of concrete is idealised as stiff aggregates embedded in a soft matrix and separated by weak interfaces. The mechanical response of the matrix, the inclusions and the interface between the matrix and the inclusions is modelled by a discrete lattice approach. The inelastic response of the lattice elements is described by a damage approach, which corresponds to a continuous reduction of the stiffness of the springs. The fracture process in uniaxial tension is approximated by an analysis of a two-dimensional cell with periodic boundary conditions. The spatial distribution of dissipated energy density at the meso-scale of concrete is determined. The size and shape of the deterministic FPZ is obtained as the average of random meso-scale analyses. Additionally, periodicity of the discretisation is prescribed to avoid influences of the boundaries of the periodic cell on fracture patterns. The results of these analyses are then used to calibrate an integral-type nonlocal model.
Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). The results of atomistic simulations are interpreted within a theoretical framework of thermodynamics, which enables determination of the nonlinear functions for the strain-dependent edge energy and the hydrogen adsorption energy, for both zigzag and armchair edges. Due to the edge effects, the initial Young's modulus of graphene nanoribbons und…
The size effect on the fracture process zone in notched and unnotched three point bending tests of concrete beams is analysed by a meso-scale approach. Concrete is modelled at the meso-scale as stiff aggregates embedded in a soft matrix separated by weak interfaces. The mechanical response of the three phases is modelled by a discrete lattice approach. The model parameters were chosen so that the global model response in the form of load-crack mouth opening displacement curves were in agreement with experimental results reported in the literature. The fracture process zone of concrete is deter…
The uniaxial tensile test response of a H decorated $Σ$ 5 [100] twist grain boundary (GB) in face-centered-cubic Al has been examined with first principles. The impurity shows a strong tendency to relocate during loading. To capture these H movements, the standard model framework was extended to probe loading-unloading hysteresis. If the maximum tensile stress accepted by the H decorated GB in the slow fracture limit is reached before the maximum acceptable strain, exceeding this stress may trigger a H influx-controlled destabilization, as opposed to 'immediate' breakage. Such 'delayed' failur…
A Mesoscale Model for Interface-Mediated Plasticity: Investigation of Ductile and Brittle Fracture
City University of Hong Kong（香港城市大学）；University of California, Los Angeles（加州大学洛杉矶分校）；The University of Hong Kong（香港大学）；University of Birmingham（伯明翰大学）
Numerical simulations of concrete fracture performed with a probabilistic mesoscale discrete model are presented. The model represents a substantial part of material randomness by assigning random locations to the largest aggregates. The remaining part of randomness is introduced by causing material parameters to fluctuate randomly via a homogeneous random field. An extensive numerical study performed with the model considers prisms loaded in uniaxial tension with both fixed and rotating platens, and also beams with and without a notch loaded in three point bending. The results show the nontri…
Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use. Therefore, it is critical for them to exhibit either plasticity or some form of structural transition to absorb and release a sufficient amount of mechanical energy before failure occurs. This study reports that the ThCr2Si2-structured intermetallic compound (CaFe2As2) and a hybrid of its structure (CaKFe4As4) with 2 μm in diameter and 6 μm in height can exhibit …
Integral-type nonlocal damage models describe the fracture process zones by regular strain profiles insensitive to the size of finite elements, which is achieved by incorporating weighted spatial averages of certain state variables into the stress-strain equations. However, there is no consensus yet how the influence of boundaries should be taken into account by the averaging procedures. In the present study, nonlocal damage models with different averaging procedures are applied to the modelling of fracture in specimens with various boundary types. Firstly, the nonlocal models are calibrated b…
This paper describes atomistic simulations of deformation and fracture of Al reinforced with carbon nanotubes (CNTs). We use density functional theory (DFT) to understand the energetics of Al-graphene interfaces and gain reference data for the parameterization of Al-C empirical potentials. We then investigate the load transfer between CNTs and Al and its effect on composite strengthening. To this end, we perform uniaxial tensile simulations of an Al crystal reinforced with CNTs of various volume fractions. We also study the interaction of the embedded CNTs with a crack. We show that the intera…
In complex materials, numerous intertwined phenomena underlie the overall response at macroscale. These phenomena can pertain to different engineering fields (mechanical , chemical, electrical), occur at different scales, can appear as uncertain, and are nonlinear. Interacting with complex materials thus calls for developing nonlinear computational approaches where multi-scale techniques that grasp key phenomena at the relevant scale need to be mingled with stochastic methods accounting for uncertainties. In this chapter, we develop such a computational approach for modeling the mechanical res…
On the Thermomechanical Properties and Fracture Patterns of the Novel Nonbenzenoid Carbon Allotrope (Biphenylene Network): A Reactive Molecular Dynamics Study
Due to its computational robustness and versatility, the phase field fracture model has become the preferred tool for predicting a wide range of cracking phenomena. However, in its conventional form, its intrinsic tension-compression symmetry in damage evolution prevents its application to the modelling of compressive failures in brittle and quasi-brittle solids, such as concrete or rock materials. In this work, we present a general methodology for decomposing the phase field fracture driving force, the strain energy density, so as to reproduce asymmetrical tension-compression fracture behavio…
We study experimentally the slow growth of a single crack in polycarbonate films submitted to uniaxial and constant imposed stress. The specificity of fracture in polycarbonate films is the appearance of flame shaped macroscopic process zones at the tips of the crack. Supported by an experimental study of the mechanical properties of polycarbonate films, an analysis of the stress dependence of the mean ratio between the process zone and crack lengths, during the crack growth, show a quantitative agreement with the Dugdale-Barenblatt model of the plastic process zone. We find that the fracture …
The present parametric study deals with the meso-scale modelling of concrete subjected to cyclic compression, which exhibits hysteresis loops during unloading and reloading. Concrete is idealised as a two-dimensional three-phase composite made of aggregates, mortar and interfacial transition zones (ITZs). The meso-scale modelling approach relies on the hypothesis that the hysteresis loops are caused by localised permanent displacements, which result in nonlinear fracture processes during unloading and reloading. A parametric study is carried out to investigate how aggregate density and size, a…
This paper presents an investigation of the age-dependent size effect and fracture characteristics of an ultra high performance concrete (UHPC). The study is based on a unique set of experimental data connecting aging tests for two curing protocols of one size and scaled size effect tests of one age. Both aging and size effect studies are performed on notched three point bending tests. Experimental data is augmented by state of the art simulations employing a recently developed discrete element based early-age computational framework. The framework is constructed by coupling a hygro-thermo-che…
Discrete element modelling (DEM) is one of the most efficient computational approaches to the fracture processes of heterogeneous materials on mesoscopic scales. From the dynamics of single crack propagation through the statistics of crack ensembles to the rapid fragmentation of materials DEM had a substantial contribution to our understanding over the past decades. Recently, the combination of DEM with other simulation techniques like Finite Element Modelling further extended the field of applicability. In this paper we briefly review the motivations and basic idea behind the DEM approach to …
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite element modelling with a mixed micromechanics formulation. The latter is used to estimate the constitutive properties of CNT-based composites, including the elastic tensor, fracture energy, electrical conductivity, and linear piezoresistive coefficients. These properties are inputted into a coupled electro-structural finite element model, which simulates the…
