Computational and theoretical aspects of a grain-boundary model at finite deformations

A model to describe the role of grain boundaries in the overall response of a polycrystalline material at small length scales subject to finite deformations is presented. Three alternative thermodynamically consistent plastic flow relations on the grain boundary are derived and compared using a series of numerical experiments. The numerical model is obtained by approximating the governing relations using the finite element method. In addition, the infinitesimal and finite deformation theories are compared, and the limitations of the former made clear

Computational and theoretical aspects of a grain-boundary model that accounts for grain misorientation and grain-boundary orientation

A detailed theoretical and numerical investigation of the infinitesimal single-crystal gradient plasticity and grain-boundary theory of Gurtin (2008) "A theory of grain boundaries that accounts automatically for grain misorientation and grain-boundary orientation". Journal of the Mechanics and Physics of Solids 56 (2), 640-662, is performed. The governing equations and flow laws are recast in variational form. The associated incremental problem is formulated in minimization form and provides the basis for the subsequent finite element formulation. Various choices of the kinematic measure used to characterize the ability of the grain boundary to impede the flow of dislocations are compared. An alternative measure is also suggested. A series of three-dimensional numerical examples serve to elucidate the theory

Continuum-kinematics-inspired peridynamics. Mechanical problems

The main objective of this contribution is to develop a novel continuum-kinematics-inspired approach for peridynamics (PD), and to revisit PD’s thermodynamic foundations. We distinguish between three types of interactions, namely, one-neighbour interactions, two-neighbour interactions and three-neighbour interactions. While one-neighbour interactions are equivalent to the bond-based interactions of the original PD formalism, two- and three-neighbour interactions are fundamentally different to state-based interactions in that the basic elements of continuum kinematics are preserved exactly. In addition, we propose that an externally prescribed traction on the boundary of the continuum body emerges naturally and need not vanish. This is in contrast to, but does not necessarily violate, standard PD. We investigate the consequences of the angular momentum balance and provide a set of appropriate arguments for the interactions accordingly. Furthermore, we elaborate on thermodynamic restrictions on the interaction energies and derive thermodynamically-consistent constitutive laws through a Coleman–Noll-like procedure

Variational formulation of generalized interfaces for finite deformation elasticity

The objective of this contribution is to formulate generalized interfaces in a variationally consistent manner within a finite deformation continuum mechanics setting. The general interface model is a zero-thickness model that represents the finite thickness “interphase” between different constituents in a heterogeneous material. The interphase may be the transition zone between inclusion and matrix in composites or the grain boundaries in polycrystalline solids. The term “general” indicates that the interface model here accounts for both jumps of the deformation as well as the traction across the interface. Both the cohesive zone model and elastic interface model can be understood as two limits of the current interface model. Furthermore, some aspects of material modeling of generalized interfaces are elaborated and a consistent model is proposed. Finally, the proposed theory is elucidated via a series of numerical examples. © 2017, The Author(s) 2017

A unified computational framework for bulk and surface elasticity theory: a curvilinear-coordinate-based finite element methodology

A curvilinear-coordinate-based finite element methodology is presented as a basis for a straightforward computational implementation of the theory of surface elasticity that mimics the underlying mathematical and geometrical concepts. An efficient formulation is obtained by adopting the same methodology for both the bulk and the surface. The key steps to evaluate the hyperelastic constitutive relations at the level of the quadrature point in a finite element scheme using this unified approach are provided. The methodology is illustrated through selected numerical examples

Computational and theoretical aspects of a grain-boundary model at finite deformations

A model to describe the role of grain boundaries in the overall response of a polycrystalline material at small length scales subject to finite deformations is presented. Three alternative thermodynamically consistent plastic flow relations on the grain boundary are derived and compared using a series of numerical experiments. The numerical model is obtained by approximating the governing relations using the finite element method. In addition, the infinitesimal and finite deformation theories are compared, and the limitations of the former made clear

Coupled thermally general imperfect and mechanically coherent energetic interfaces subject to in-plane degradation

To date, the effects of interface in-plane damage on the thermomechanical response of a thermally general imperfect (GI) and mechanically coherent energetic interface are not taken into account. A thermally GI interface allows for a discontinuity in temperature as well as in the normal heat flux across the interface. A mechanically coherent energetic interface permits a discontinuity in the normal traction but not in the displacement field across the interface. The temperature of a thermally GI interface is a degree of freedom and is computed using a material parameter known as the sensitivity. The current work is the continuation of the model developed by Esmaeili et al. (2016a) where a degrading highly conductive (HC) and mechanically coherent energetic interface is considered. An HC interface only allows for the jump in normal heat flux and not the jump in temperature across the interface. In this contribution, a thermodynamically consistent theory for thermally GI and mechanically coherent energetic interfaces subject to in-plane degradation is developed. A computational framework to model this class of interfaces using the finite element method is established. In particular, the influence of the interface in-plane degradation on the sensitivity is captured. To this end, the equations governing a fully nonlinear transient problem are given. They are solved using the finite element method. The results are illustrated through a series of three-dimensional numerical examples for various interfacial parameters. In particular, a comparison is made between the results of the intact and the degraded thermally GI interface formulation. © 2017 Mathematical Sciences Publishers

Computational and Theoretical Aspects of a Grain-Boundary Model at Finite Deformations

A model to describe the role of grain boundaries in the overall response of a polycrystalline material at small length scales subject to finite deformations is presented. Three alternative thermodynamically consistent plastic flow relations on the grain boundary are derived and compared using a series of numerical experiments. The numerical model is obtained by approximating the governing relations using the finite element method. In addition, the infinitesimal and finite deformation theories are compared, and the limitations of the former made clear

Coherent energetic interfaces accounting for in-plane degradation

Interfaces can play a dominant role in the overall response of a body. The importance of interfaces is particularly appreciated at small length scales due to large area to volume ratios. From the mechanical point of view, this scale dependent characteristic can be captured by endowing a coherent interface with its own elastic resistance as proposed by the interface elasticity theory. This theory proves to be an extremely powerful tool to explain size effects and to predict the behavior of nano-materials. To date, interface elasticity theory only accounts for the elastic response of coherent interfaces and obviously lacks an explanation for inelastic interface behavior such as damage or plasticity. The objective of this contribution is to extend interface elasticity theory to account for damage of coherent interfaces. To this end, a thermodynamically consistent interface elasticity theory with damage is proposed. A local damage model for the interface is presented and is extended towards a non-local damage model. The non-linear governing equations and the weak forms thereof are derived. The numerical implementation is carried out using the finite element method and consistent tangents are listed. The computational algorithms are given in detail. Finally, a series of numerical examples is studied to provide further insight into the problem and to carefully elucidate key features of the proposed theory. © 2016, Springer Science+Business Media Dordrecht

Generalized interfacial energy and size effects in composites

The objective of this contribution is to explain the size effect in composites due to the interfacial energy between the constituents of the underlying microstructure. The generalized interface energy accounts for both jumps of the deformation as well as the stress across the interface. The cohesive zone and elastic interface are only two limit cases of the general interface model. A closed form analytical solution is derived to compute the effective interface-enhanced material response. Our novel analytical solution is in excellent agreement with the numerical results obtained from the finite element method for a broad variety of parameters and dimensions. A remarkable observation is that the notion of size effect is theoretically bounded verified by numerical examples. Thus, the gain or loss via reducing the dimensions of the microstructure is limited to certain ultimate values, immediately relevant for designing nano-composites. © 2017 Elsevier Lt