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Register a new userA size-dependent ductile fracture model: Constitutive equations, Numerical implementation and Validation
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Size effects have been predicted at the micro- or nano-scale for porous ductile materials from Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Mechanics numerical simulations, as a consequence of Geometrically Necessary Dislocations or due to the presence of a void matrix interface. As voids size decreases, higher stresses are needed to deform the material, for a given porosity. However, the majority of the homogenized models for porous materials used in ductile fracture modeling are size-independent, even though micrometric or nanometric voids are commonly observed in structural materials. Based on yield criteria proposed in the literature for nanoporous materials, a size-dependent homogenized model for porous materials is proposed for axisymmetric loading conditions, including void growth and coalescence as well as void shape effects. Numerical implementation of the constitutive equations is detailed. The homogenized model is validated through comparisons to porous unit cells finite element simulations that consider interfacial stresses, consistently with the model used for the derivation of the yield criteria, aiming at modeling an additional hardening at the void matrix interface. Potential improvements of the model are finally discussed with respect to the theoretical derivation of refined yield criteria and evolution laws.
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Ductile fracture of metallic materials typically involves the elastoplastic deformation and associated damaging process. A nonlocal lattice particle method (LPM) is proposed to model this complex behavior. Recently, a distortional energy-based model is formulated into LPM to simulate the mixed linear hardening J2 plasticity. However, this model is based on the incremental updating algorithm which needs very small loading steps to get reasonable results. This is time-consuming and unstable for large systems. Therefore, in this paper, a stress-based return-mapping algorithm for simulating J2 plasticity is proposed to deal with these deficiencies. The material deterioration process is reformulated as a nonlocal damage evolution process. By incorporating the iterative solution procedure with dense-packing lattices, the damage-enhanced LPM framework is able to effectively reduce the lattice-dependency of crack grow analysis. The particle-size dependency of macroscopic mechanical responses is also handled properly by using the proposed nonlocal damage model. Several numerical examples are provided to show the ability of the new LPM framework to predict the elastoplastic behavior of engineering structures with/without damage and fracture.
We extend the model-free data-driven paradigm for rate-independent fracture mechanics proposed in Carrara et al. (2020), Data-driven Fracture Mechanics, Comp. Meth. App. Mech. Eng., 372 to rate-dependent fracture and sub-critical fatigue. The problem is formulated by combining the balance governing equations stemming from variational principles with a set of data points that encodes the fracture constitutive behavior of the material. The solution is found as the data point that best satisfies the meta-stability condition as given by the variational procedure and following a distance minimization approach based on closest-point-projection. The approach is tested on different setups adopting different types of rate-dependent fracture and fatigue models affected or not by white noise.
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions to QED-TDDFT electron-photon eigenstates. The leads to a symmetric QED-TDDFT coupling matrix, which is expected to facilitate the future development of analytic derivatives. Through a Gaussian atomic basis implementation of the QED-TDDFT method, we examined the effect of dipole self-energy, rotating wave approximation, and the Tamm-Dancoff approximation on the QED-TDDFT eigenstates of model compounds (ethene, formaldehyde, and benzaldehyde) in an optical cavity. We highlight, in the strong coupling regime, the role of higher-energy and off-resonance excited states with large transition dipole moments in the direction of the photonic field, which are automatically accounted for in our QED-TDDFT calculations and might substantially affect the energy and composition of polaritons associated with lower-energy electronic states.
We investigate the fracture of heterogeneous materials occurring under unloading from an initial load. Based on a fiber bundle model of time dependent fracture, we show that depending on the unloading rate the system has two phases: for rapid unloading the system suffers only partial failure and it has an infinite lifetime, while at slow unloading macroscopic failure occurs in a finite time. The transition between the two phases proved to be analogous to continuous phase transitions. Computer simulations revealed that during unloading the fracture proceeds in bursts of local breakings triggered by slowly accumulating damage. In both phases the time evolution starts with a relaxation of the bursting activity characterized by a universal power law decay of the burst rate. In the phase of finite lifetime the initial slowdown is followed by an acceleration towards macroscopic failure where the increasing rate of bursts obeys the (inverse) Omori law of earthquakes. We pointed out a strong correlation between the time where the event rate reaches a minimum value and of the lifetime of the system which allows for forecasting of the imminent catastrophic failure.
Ebert et al. [Phys. Rev. Lett. 77, 3827 (1996)] have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in-situ by scanning tunneling microscopy (STM). Globular patterns in the STM-images were interpreted as clusters of atoms. These are significant structural units of quasicrystals. The experiments of Ebert et al. imply that they are also stable physical entities, a property controversially discussed currently. For a clarification we performed the first large scale fracture simulations on three-dimensional complex binary systems. We studied the propagation of mode I cracks in an icosahedral model quasicrystal by molecular dynamics techniques at low temperature. In particular we examined how the shape of the cleavage plane is influenced by the clusters inherent in the model and how it depends on the plane structure. Brittle fracture with no indication of dislocation activity is observed. The crack surfaces are rough on the scale of the clusters, but exhibit constant average heights for orientations perpendicular to high symmetry axes. From detailed analyses of the fractured samples we conclude that both, the plane structure and the clusters, strongly influence dynamic fracture in quasicrystals and that the clusters therefore have to be regarded as physical entities.
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