The relation between elasticity and yielding is investigated in a model polymer solid by Molecular-Dynamics simulations. By changing the bending stiffness of the chain and the bond length, semicrystalline and disordered glassy polymers - both with bond disorder - as well as nematic glassy polymers with bond ordering are obtained. It is found that in systems with bond disorder the ratio Ty/G between the shear yield strength Ty and the shear modulus G is close to the universal value of the atomic metallic glasses. The increase of the local nematic order in glasses leads to the increase of the shear modulus and the decrease of the shear yield strength, as observed in experiments on nematic thermosets. A tentative explanation of the subsequent reduction of the ratio Ty/G in terms of the distributions of the per-monomer stress is offered.
The holographic principle has proven successful in linking seemingly unrelated problems in physics; a famous example is the gauge-gravity duality. Recently, intriguing correspondences between the physics of soft matter and gravity are emerging, including strong similarities between the rheology of amorphous solids, effective field theories for elasticity and the physics of black holes. However, direct comparisons between theoretical predictions and experimental/simulation observations remain limited. Here, we study the effects of non-linear elasticity on the mechanical and thermodynamic properties of amorphous materials responding to shear, using effective field and gravitational theories. The predicted correlations among the non-linear elastic exponent, the yielding strain/stress and the entropy change due to shear are supported qualitatively by simulations of granular matter models. Our approach opens a path towards understanding complex mechanical responses of amorphous solids, such as mixed effects of shear softening and shear hardening, and offers the possibility to study the rheology of solid states and black holes in a unified framework.
Due to their unique structural and mechanical properties, randomly-crosslinked polymer networks play an important role in many different fields, ranging from cellular biology to industrial processes. In order to elucidate how these properties are controlled by the physical details of the network (textit{e.g.} chain-length and end-to-end distributions), we generate disordered phantom networks with different crosslinker concentrations $C$ and initial density $rho_{rm init}$ and evaluate their elastic properties. We find that the shear modulus computed at the same strand concentration for networks with the same $C$, which determines the number of chains and the chain-length distribution, depends strongly on the preparation protocol of the network, here controlled by $rho_{rm init}$. We rationalise this dependence by employing a generic stress-strain relation for polymer networks that does not rely on the specific form of the polymer end-to-end distance distribution. We find that the shear modulus of the networks is a non-monotonic function of the density of elastically-active strands, and that this behaviour has a purely entropic origin. Our results show that if short chains are abundant, as it is always the case for randomly-crosslinked polymer networks, the knowledge of the exact chain conformation distribution is essential for predicting correctly the elastic properties. Finally, we apply our theoretical approach to published experimental data, qualitatively confirming our interpretations.
Understanding the mechanical response and failure of solids is of obvious importance in their use as structural materials. The nature of plastic deformation leading to yielding of amorphous solids has been vigorously pursued in recent years. Investigations employing both unidirectional and cyclic deformation protocols reveal a strong dependence of yielding behaviour on the degree of annealing. Below a threshold degree of annealing, the nature of yielding changes qualitatively, to progressively more discontinuous yielding. Theoretical investigations of yielding in amorphous solids have almost exclusively focused on yielding under unidirectional deformation, but cyclic deformation reveals several interesting features that remain largely un-investigated. Focusing on athermal cyclic deformation, I investigate a family of models based on an energy landscape description. These models reproduce key interesting features observed in simulations, and provide an interpretation for the intriguing presence of a threshold energy.
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The chemical and structural disorder impedes the study of the elasticity of such solid solutions, since standard procedures like potential expansions cannot be applied. We present a generalization of a density-functional based approach recently developed for one-component crystals to multi-component crystals. It yields expressions for the elastic constants valid in solid solutions with arbitrary amounts of point defects and up to the melting temperature. Further, both acoustic and optical phonon eigenfrequencies can be computed in linear response from the equilibrium particle densities and established classical density functionals. As a proof of principle, dispersion relations are computed for two different binary crystals: A random fcc crystal as an example for a substitutional, and a disordered sodium chloride structure as an example of an interstitial solid solution. In cases where one of the components couples only weakly to the others, the dispersion relations develop characteristic signatures. The acoustic branches become flat in much of the first Brillouin zone, and a crossover between acoustic and optic branches takes place at a wavelength which can far exceed the lattice spacing.*
The response to shear of the dense soft solids features a stress overshoot and a persistent shear banding before reaching a homogeneously flowing state. In 3D large scale simulations we analyze the time required for the onset of homogeneous flow, the normal stresses and structural signatures at different shear rates and in different flow geometries, finding that the stress overshoot, the shear band formation and its persistence are controlled by the presence of overconstrained microscopic domains in the initially solid samples. Being able to identify such domains in our model by prevalently icosahedrally packed regions, we show that they allow for stress accumulation during the stress overshoot and that their structural reorganization controls the emergence and the persistence of the shear banding.
Nicola Calonaci
,Andrea Giuntoli
,Sebastiano Bernini
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(2018)
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"Effect of nematic ordering on the elasticity and yielding in disordered polymeric solids"
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Andrea Giuntoli
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