Multi‐scale modeling of surface effect via the boundary Cauchy–Born method

In this paper, a novel multi‐scale approach is developed for modeling of the surface effect in crystalline nano‐structures. The technique is based on the Cauchy–Born hypothesis in which the strain energy density of the equivalent continua is calculated by means of inter‐atomic potentials. The notion of introducing the surface effect in the finite element method is based on the intrinsic function of quadratures, called as an indicator of material behavior. The information of quadratures is derived by interpolating the data from probable representative atoms in their proximity. The technique is implemented by the definition of reference boundary CB elements, which enable to capture not only the surface but also the edge and corner effects. As the surface effect is important in small‐scale simulation, the relative number of boundary CB elements increases which leads to predomination of boundary effects in the model. In order to implement the equivalent continua in boundary value problems, the updated‐Lagrangian formulation of nonlinear finite element is derived. The numerical simulation of the proposed model together with the direct comparison with fully atomistic model indicates that the technique provides promising results for facile modeling of boundary effects and investigating its effect on the mechanical response of metallic nano‐scale devices. Copyright © 2010 John Wiley & Sons, Ltd.     

Multi‐scale modeling of plastic deformations in nano‐scale materials; Transition to plastic limit

A large amount of research in computational mechanics has biased toward atomistic simulations. This trend, on one hand, is due to the increased demand to perform computations in nanoscale and, on the other hand, is due to the rather simple applications of pairwise potentials in modeling the interactions between atoms of a given crystal. The Cauchy–Born (CB) hypothesis has been used effectively to model the behavior of crystals under different loading conditions, in which the comparison with molecular dynamics simulations presents desirable coincidence between the results. A number of research works have been devoted to the validity of CB hypothesis and its application in post‐elastic limit. However, the range of application of CB hypothesis is limited, and it remains questionable whether it is still applicable beyond the validity limit. In this paper, a multi‐scale technique is developed for modeling of plastic deformations in nanoscale materials. The deformation gradient is decomposed into the plastic and elastic parts, i.e., F  =  F ^p F ^e. This decomposition is in contrast to the conventional decomposition, F  =  F ^e F ^p, generally encountered in continuum and crystal plasticity. It is shown that the former decomposition is more appropriate for the problem dealt within this work. Inspired by crystal plasticity, the plastic part is determined from the slip on potential slip systems. Based on the assumption that the CB hypothesis remains valid in the homogeneous deformation, the elastic deformation gradient resulting from the aforementioned decomposition is employed in conjunction with the CB hypothesis to update the state variables for face‐centered cubic crystals. The assumption of homogeneity of elastic deformation gradient is justified by the fact that elastic deformations are considerably smaller than the plastic deformations. The computational algorithms are derived in details, and numerical simulations are presented through several examples to demonstrate the capability of the proposed computational algorithm in the modeling of golden crystals under different loading conditions. Copyright © 2016 John Wiley & Sons, Ltd.     

A stochastic second‐order and two‐scale thermo‐mechanical model for strength prediction of concrete materials

A stochastic thermo‐mechanical model for strength prediction of concrete is developed, based on the two‐scale asymptotic expressions, which involves both the macroscale and the mesoscale of concrete materials. The mesoscale of concrete is characterized by a periodic layout of unit cells of matrix‐aggregate composite materials, consisting of randomly distributed aggregate grains and cement matrix. The stochastic second‐order and two‐scale computational formulae are proposed in detail, and the maximum normal stress is assumed as the strength criterion for the aggregates, and the cement paste, in view of their brittle characteristics. Numerical results for the strength of concrete obtained from the proposed model are compared with those from known experiments. The comparison shows that the proposed method is validated for strength prediction of concrete. The proposed thermo‐mechanical model is also employed to investigate the influence of different volume fraction of the aggregates on the strength of concrete. Copyright © 2016 John Wiley & Sons, Ltd.     

Multi‐scale constitutive modelling of heterogeneous materials with a gradient‐enhanced computational homogenization scheme

A gradient‐enhanced computational homogenization procedure, that allows for the modelling of microstructural size effects, is proposed within a general non‐linear framework. In this approach the macroscopic deformation gradient tensor and its gradient are imposed on a microstructural representative volume element (RVE). This enables us to incorporate the microstructural size and to account for non‐uniform macroscopic deformation fields within the microstructural cell. Every microstructural constituent is modelled as a classical continuum and the RVE problem is formulated in terms of standard equilibrium and boundary conditions. From the solution of the microstructural boundary value problem, the macroscopic stress tensor and the higher‐order stress tensor are derived based on an extension of the Hill–Mandel condition. This automatically delivers the microstructurally based constitutive response of the higher‐order macro continuum and deals with the microstructural size in a natural way. Several examples illustrate the approach, particularly the microstructural size effects. Copyright © 2002 John Wiley & Sons, Ltd.     

Multi‐scale analysis and FE computation for the structure of composite materials with small periodic configuration under condition of coupled thermoelasticity

The two‐scale asymptotic (TSA) expressions of the increment of temperature and the displacement for the structure of composite materials with small periodic configuration under coupled thermoelasticity condition are derived formally in this paper, especially, the two‐scale coupled relation between the increment of temperature and the displacements are set up. Then the approximate solutions and their error estimations are presented, and the multi‐scale finite element algorithm corresponding to TSA is described. Finally, simple numerical results evaluated by multi‐scale FE computation are shown. They demonstrate that the basic configuration and the increment of temperature strongly influence upon local strains and local stresses inside basic cell. Copyright © 2004 John Wiley & Sons, Ltd.     

Multiscale analysis method for thermo‐mechanical performance of periodic porous materials with interior surface radiation

This study develops a novel multiscale analysis method to predict thermo‐mechanical performance of periodic porous materials with interior surface radiation. In these materials, thermal radiation effect at microscale has an important impact on the macroscopic temperature and stress field, which is our particular interest in this paper. Firstly, the multiscale asymptotic expansions for computing the dynamic thermo‐mechanical coupling problem, which considers the mutual interaction between temperature and displacement field, are given successively. Then, the corresponding numerical algorithm based on the finite element‐difference method is brought forward in details. Finally, some numerical results are presented to verify the validity and relevancy of the proposed method by comparing it with a direct finite element analysis with detailed numerical models. The comparison shows that the new method is effective and valid for predicting the thermo‐mechanical performance and can capture the microstructure behavior of periodic porous materials exactly.s Copyright © 2015 John Wiley & Sons, Ltd.