A multiscale multisurface constitutive model for the thermo-plastic behavior of polyethylene

We present a multiscale model bridging length and time scales from molecular to continuum levels with the objective of predicting the yield behavior of amorphous glassy polyethylene (PE). Constitutive pa- rameters are obtained from molecular dynamics (MD) simulations, decreasing the requirement for ad- hoc experiments. Consequently, we achieve: (1) the identification of multisurface yield functions; (2) the high strain rate involved in MD simulations is upscaled to continuum via quasi-static simulations. Validation demonstrates that the entire multisurface yield functions can be scaled to quasi-static rates where the yield stresses are possibly predicted by a proposed scaling law; (3) a hierarchical multiscale model is constructed to predict temperature and strain rate dependent yield strength of the PE.

Semi-implicit finite strain constitutive integration and mixed strain/stress control based on intermediate configurations

A new semi-implicit stress integration algorithm for finite strain plasticity (compatible with hyperelas- ticity) is introduced. Its most distinctive feature is the use of different parameterizations of equilibrium and reference configurations. Rotation terms (nonlinear trigonometric functions) are integrated explicitly and correspond to a change in the reference configuration. In contrast, relative Green–Lagrange strains (which are quadratic in terms of displacements) represent the equilibrium configuration implicitly. In addition, the adequacy of several objective stress rates in the semi-implicit context is studied. We para- metrize both reference and equilibrium configurations, in contrast with the so-called objective stress integration algorithms which use coinciding configurations. A single constitutive framework provides quantities needed by common discretization schemes. This is computationally convenient and robust, as all elements only need to provide pre-established quantities irrespectively of the constitutive model. In this work, mixed strain/stress control is used, as well as our smoothing algorithm for the complemen- tarity condition. Exceptional time-step robustness is achieved in elasto-plastic problems: often fewer than one-tenth of the typical number of time increments can be used with a quantifiable effect in accuracy. The proposed algorithm is general: all hyperelastic models and all classical elasto-plastic models can be employed. Plane-stress, Shell and 3D examples are used to illustrate the new algorithm. Both isotropic and anisotropic behavior is presented in elasto-plastic and hyperelastic examples.

Finite-strain laminates: Bending-enhanced hexahedron and delamination

With a new finite strain anisotropic framework, we introduce a unified approach for constitutive model- ing and delamination of composites. We describe a finite-strain semi-implicit integration algorithm and the application to assumed-strain hexahedra. In a laminate composite, the laminae are modeled by an anisotropic Kirchhoff/Saint-Venant material and the interfaces are modeled by the exponential cohesive law with intrinsic characteristic length and the criterion by Benzeggagh and Kenane for the equivalent fracture toughness. For the element formulation, a weighted least-squares algorithm is used to calculate the mixed strain. Löwdin frames are used to model orthotropic materials without the added task of per- forming a polar decomposition or empirical frames. To assess the validity of our proposals and inspect step and mesh size dependence, a least-squares based hexahedral element is implemented and tested in depth in both deformation and delamination examples.

Specific shear-dependent viscoelastic third-grade fluid model

A specific modified constitutive equation for a third-grade fluid is proposed so that the model be suitable for applications where shear-thinning or shear-thickening may occur. For that, we use the Cosserat theory approach reducing the exact three-dimensional equations to a system depending only on time and on a single spatial variable. This one-dimensional system is obtained by integrating the linear momentum equation over the cross-section of the tube, taking a velocity field approximation provided by the Cosserat theory. From this reduced system, we obtain the unsteady equations for the wall shear stress and mean pressure gradient depending on the volume flow rate, Womersley number, viscoelastic coefficient and flow index over a finite section of the tube geometry with constant circular cross-section.

Predictions of J integral and tensile strength of clay/epoxy nanocomposites material using phase field model

We predict macroscopic fracture related material parameters of fully exfoliated clay/epoxy nano- composites based on their fine scale features. Fracture is modeled by a phase field approach which is implemented as user subroutines UEL and UMAT in the commercial finite element software Abaqus. The phase field model replaces the sharp discontinuities with a scalar damage field representing the diffuse crack topology through controlling the amount of diffusion by a regularization parameter. Two different constitutive models for the matrix and the clay platelets are used; the nonlinear coupled system con- sisting of the equilibrium equation and a diffusion-type equation governing the phase field evolution are solved via a NewtoneRaphson approach. In order to predict the tensile strength and fracture toughness of the clay/epoxy composites we evaluated the J integral for different specimens with varying cracks. The effect of different geometry and material parameters, such as the clay weight ratio (wt.%) and the aspect ratio of clay platelets are studied.

Least-squares finite strain hexahedral element/constitutive coupling based on parametrized configurations and the Löwdin frame

Two novelties are introduced: (i) a finite-strain semi-implicit integration algorithm compatible with current element technologies and (ii) the application to assumed-strain hexahedra. The Löwdin algo- rithm is adopted to obtain evolving frames applicable to finite strain anisotropy and a weighted least- squares algorithm is used to determine the mixed strain. Löwdin frames are very convenient to model anisotropic materials. Weighted least-squares circumvent the use of internal degrees-of-freedom. Het- erogeneity of element technologies introduce apparently incompatible constitutive requirements. Assumed-strain and enhanced strain elements can be either formulated in terms of the deformation gradient or the Green–Lagrange strain, many of the high-performance shell formulations are corotational and constitutive constraints (such as incompressibility, plane stress and zero normal stress in shells) also depend on specific element formulations. We propose a unified integration algorithm compatible with possibly all element technologies. To assess its validity, a least-squares based hexahedral element is implemented and tested in depth. Basic linear problems as well as 5 finite-strain examples are inspected for correctness and competitive accuracy.