Computational mechanics-based modeling of size-dependent hardening in polycrystals

It has been well-known for a number of years that the macroscopic material response of polycrystalline metals is influenced by the size and morphology of grains. Different size effects may occur, one of which is the Hall-Petch effect. The key aim of this contribution is the computational modeling of grain-size-dependent hardening in polycrystals using a microstructural approach. Here, the focus is on the influence of the microscopic grain boundary conditions on the simulation results. In particular, micro-flexible boundary conditions are discussed and compared to micro-hard and micro-free assumptions. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Influence of the Homogenization on the Transient Behaviour of Size Distributed Polycrystals

The deformation in polycrystals is often heterogenous, e.g. due to grain size dependent hardening. In a semi-analytical representative volume element (RVE), a log-normal distributed grain size is assumed together with a grain size dependent local plastic behavior. The numerical results are well approximated by a simple analytical expression. The effect of the homogenization comparison stiffness on the transient behaviour is explained using a simplified localization equation. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Mixed Variational Principles and Robust Finite Element Design of Gradient Plasticity at Finite Strains

The modeling of size effects in elastic-plastic solids, such as the width of shear bands or the grain size dependence in polycrystals, must be based on non-standard theories which incorporate length-scales. This is achieved by models of strain gradient plasticity, incorporating spatial gradients of selected micro-structural fields which describe the evolving dissipative mechanisms. The key aspect of this work is to provide a rigorous incremental variational formulation and mixed finite element design of additive finite gradient plasticity in the logarithmic strain space. We start from a mixed saddle point principle for metric-type plasticity, which is specified for the important model problem of isochoric plasticity with gradient-extended hardening/softening response. To this end, we propose a novel finite element design of the coupled problem incorporating a local-global solution strategy of short- and long-range fields. This includes several new aspects, such as extended Q1P0-type and MINI-type finite elements for gradient plasticity [4]. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Parameter–identification of macroscopic material models based on virtual testing of given material mesostructures

For many heterogeneous materials such as composites and polycrystals, the material modeling for the constituents on a representative mesoscale can be considered as known, including concrete values of their inherent material parameters. Typical examples are isotropic elastic–plastic models for the constituents of composites or anisotropic crystal–plasticity models for the grains of polycrystals. This knowledge can be exploited with regard to the modeling of the homogenized macroscopic response. In particular, parameters in macroscopic models may be identified by virtual experiments provided by a computational deformation–driving of representative mesostructures. This paper outlines the general concept for the parameter–identification of macroscopic materialmodels based on the virtual testing of given material mesostructures. The virtual test data are obtained in the form of multi–dimensional stress–strain paths by applying different deformation gradients to a given mesostructure. After specifying a corresponding macroscopic material model covering the observed effects on the macroscale, the material parameters are identified by a least–square–type optimization procedure that optimizes the macroscopic material parameters. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

A Hybrid Micro­Macro­Model for the Description of Evolving Anisotropy in Finite Polycrystal Plasticity

The paper outlines recent developments of an efficient computational micro-macro modeling of evolving anisotropies in metallic polycrystals. Main focus is put onto large strain deformation processes where the anisotropy is caused by developments of crystallographic texture. We construct a hybrid micro-macro framework that mixes ingredients of a purely macroscopic modeling with scale bridging operations of selected micromechanisms. On the micromechanical side, we develop a new algorithmic procedure to capture the crystal reorientation for evolving fcc and bcc textures based on a parametrization of rotations in the Rodigues space. The computational model provides a fast and robust method for the estimation of evolving textures. This computational tool for texture estimation is incorporated in a modular format into a micro-macro-model, where it governs the evolution of macrostructural tensors due to texture development. The general framework for the hybrid embedding is a purely phenomenological setting of anisotropic finite plasticity in the logarithmic strain space. The model provides an efficient and computationally handable two-scale approach for the prediction of effects caused by complex microstructural changes in polycrystals. The capability of the proposed method is demonstrated by means of representative numerical examples. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Cosserat continuum modelling of grain size effects in metal polycrystals

The global response of polycrystalline aggregates is investigated, in order to simulate grain size effects in IF ferritic steels. The mechanics of generalized continua is used to describe the studied phenomena. The polycrystal is regarded as a heterogeneous Cosserat medium, and the overall properties are estimated using a specific homogenization technique. To illustrate the capabilities of the model, some simple bidimensionnal computations are presented for different grain sizes. Afterwards tridimensionnal computations are shown in order to extract the global effect on the mechanical behaviour for grain sizes ranging from 5 µm to 120 µm. The finite element response is harder for the smallest grain size, but the model still underestimate the grain size effect on the tensile response. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On a Sachs bound for stress-induced phase transformations in polycrystalline shape memory alloys

In earlier work [3], a Sachs and a Taylor bound on the transformation yield stress in shape memory polycrystals were derived in the context of a variational model. The aim of this article is to compare the Sachs with the Taylor bound for cubic-toorthorhombic phase transformations under biaxial loading, where the material parameters are chosen explicitly (CuAlNi). It turns out that the gap between the two bounds can be quite large depending on the underlying texture and the loading direction. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A 2D level set finite element grain coarsening study with heterogeneous grain boundary energies

In a previous article (Fausty et al., 2018) a new level-set finite element formulation for pure grain growth with heterogeneous grain boundary energies (i.e. one energy per grain interface) was developed and validated for simple configurations. In this work, the authors apply this new tool to the simulation of two dimensional grain growth of polycrystals using different disorientation dependent grain boundary energy functions. The results of these full-field calculations are assessed using the time dependent evolution of the following criteria: grain size, grain number, total interface energy, grain boundary disorientation distribution, grain boundary energy distribution and number of neighboring grains distribution. Of particular interest is the relationship between the grain boundary energy function and the evolution of the grain boundary network in the sense of both its morphology and its constitution. Some notable results are that the disorientation distribution evolution is inversely correlated to the grain boundary energy function itself and that the kinetics of grain growth are heavily effected by the heterogeneity of the system.     

Effective Flow Potentials for Anisotropic Polycrystals

In this paper a micromechanically based flow potential for anisotropic fcc polycrystals is derived that takes into account the crystallite orientation distribution function (codf) in terms of tensorial texture coefficients. The effective flow potential is based on a representation theorem for anisotropic scalar functions depending on a 2nd-order tensor. A priori unknown functions in the representation are determined by defining and solving explicitly a minimization problem over SO(3). Important analytical properties of the coefficient matrix of the minimization problem are discussed. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

The modeling and dynamic analysis of two jointed beams with clearance

The dynamic behaviors of two beams connected by a joint with clearance are investigated. A new equivalent joint model using the transverse and torsion spring systems is developed to describe the dynamics of two jointed beams with clearance. Based on the finite element method (FEM), the equations of motion of the two jointed beams with clearance are established using Hamilton's principle. A modified numerical solution method is presented based on the Newmark integration method to solve the equations with the nonlinearity due to clearance. The contributions of the clearance size and stiffness on the amplitude-frequency response are discussed. The effects of the clearance on the vibration transfer between the two connected beams and the impact force of the joint are investigated.     

Models for optimal harvest with convex function of growth rate of a population

Two models for growth of a population, which are described by a Cauchy problem for an ordinary differential equation with right-hand side depending on the population size and time, are investigated. The first model is time-discrete, i.e., the moments of harvest are fixed and discrete. The second model is time-continuous, i.e., a crop is harvested continuously in time. For autonomous systems, the second model is a particular case of the variational model for optimal control with constraints investigated in [1]. However, the prerequisites and the method of investigation are somewhat different, for they are based on Lemma1 presented below. In this paper, the existence and uniqueness theorem for the solution of the discrete and continuous problems of optimal harvest is proved, and the corresponding algorithms are presented. The results obtained are illustrated by a model for growth of the light-requiring green alge Chlorella. Bibliography: 6 titles. Translated fromObchyslyuval’na ta Prykladna Matematyka, No. 77, 1993, pp. 75–86.     

The effects of learning in production and group size on the lot-sizing problem

One of the lot-sizing problem extensions that received noticeable attention in the literature is the one that investigated the effects of learning in production. The studies along this line of research assumed learning to improve with the number of repetitions following a power form. There is evidence also that the group size, i.e., the number of workers learning in a group affects performance (time per unit). This note revisits the problem and modifies it by incorporating the group size, along with cumulative production, as a proxy for measuring performance. Numerical examples are provided to illustrate the behavior of the modified model. The results of the two models are also compared to draw some meaningful insights and conclusions. Although the results favor using a simple univariate learning curve, considering group size when modeling lot-sizing problems can significantly affect the unit production cost.     

A Variational Characterization of the Effective Yield Set for Ionic Polycrystals

The effective yield set of ionic polycrystals is characterized by means of variational principles in $L^\infty $ associated to supremal functionals acting on matrix-valued divergence-free fields.     

Development of size-dependent consistent couple stress theory of Timoshenko beams

In this paper, a linear size-dependent Timoshenko beam model based on the consistent couple stress theory is developed to capture the size effects. The extended Hamilton's principle is utilized to obtain the governing differential equations and boundary conditions. The general form of boundary conditions and the concentrated loading are employed to determine the exact static/dynamic solution of the beam. Utilizing this solution for the beam's deformation and rotation, the exact shape functions of the consistent couple stress theory (C-CST) is extracted, which leads to the stiffness and mass matrices of a two-node C-CST finite element beam. Due to the complexity and high computational cost of using the exact solution's shape functions, in addition to the Ritz approximate solution, a two primary variable finite element model of C-CST is proposed, and the corresponding general deformation and rotation fields, shape functions, mass and stiffness matrices are calculated. The C-CST is validated by comparing the prediction of different beam models for a benchmark problem. For the fully and partially clamped cantilever, and free-free beams, the size dependency of the formulations is investigated. The static solutions of the classical and consistent couple stress Timoshenko beam models are compared, and a criterion for selecting the proper model is proposed. For a wide range of material properties, the relation between the beam length and length scale parameter is derived. It is shown that the validity domain of the consistent couple stress Timoshenko model barely depends on the beam's constituent material.     

Identification of Viscoelastic Properties and Damaging Effects of Highly Extensible Polyurea

The present work aims particular at the experimental identification of the viscoelastic properties of polyurea as well as on the onset of the damage. For the viscoelastic part, several relaxation experiments are performed. From the measured data a general viscoelastic model is derived where we use two different approaches. At first we identify a general Maxwell model (combining spring and damping elements for finite deformations) to use a prony series with N elements, which requires the identification of 2N + 1 parameters. At second, a model of generalized fractional elements [3] is employed. Both approaches are studied in detail and are compared to data from literature; furthermore a comparison concerning the effort is presented. Damaging effects of Polyurea are investigated using tensile tests with and without cyclic loading. In particular we focus on the the onset of damage by cavitation. To this end the recovered specimens were analyzed using a laser microscope; the surfaces of the ruptured areas are compared in terms of quantity and size of voids. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Optimal inferences for proportional hazards model with parametric covariate transformations

The traditional Cox model assumes a log-linear relationship between covariates and the underlying hazard function. However, the linearity may be invalid in real data. We study a Cox model which employs unknown parametric covariate transformations. This model is applicable to observational studies or randomized trials when a treatment effect is investigated after controlling for a confounding variable that may have non-log-linear relationship with the underlying hazard function. While the proposed generalization is simple, the inferential issues are challenging due to the loss of identifiability under no effects of transformed covariates. Optimal tests are derived for certain alternatives. Rigorous parametric inference is established under regularity conditions and non-zero transformed covariate effects. The estimates perform well in simulation studies with realistic sample size, and the proposed tests are more powerful than the usual partial likelihood ratio test, which is no longer optimal. Data from a breast cancer trial are used to illustrate the model building strategy and the better fit of the proposed model, comparing to the traditional Cox model.