The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.

Engineering materials with desirable physical and technological properties requires understanding and predictive capability of materials behavior under varying external conditions, such as temperature and pressure. This immediately brings one face to face with the fundamental difficulty of establishing a connection between materials behavior at a microscopic level, where understanding is to be sought, and macroscopic behavior which needs to be predicted. Bridging the corresponding gap in length scales that separates the ends of this spectrum has been a goal intensely pursued by theoretical physicists, experimentalists, and metallurgists alike. Traditionally, the search for methods to bridge the length scale gap and to gain the needed predictive capability of materials properties has been conducted largely on a trial and error basis, guided by the skill of the metallurgist, large volumes of experimental data, and often ad hoc semi phenomenological models. This situation has persisted almost to this day, and it is only recently that significant changes have begun to take place. These changes have been brought about by a number of developments, some of long standing, others of more recent vintage.

Modern computational techniques, such as the Finite Element Method, have, since their development several decades ago, successfully exploited continuum theories for numerous applications in science and technology. Although standard continuum methods based upon the Cauchy-Boltzmann continuum are still of great importance and are widely used, it increasingly appears that material properties stemming from microstructural phenomena have to be considered. This is particularly true for inhomogeneous load and deformation states, where lower-scale size effects begin to affect the macroscopic material response; something standard continuum theories fail to account for. Following this idea, it is evident that standard continuum mechanics has to be augmented to capture lower-scale structural and compositional phenomena, and to make this information accessible to macroscopic numerical simulations.

Multiscale Structural Topology Optimization discusses the development of a multiscale design framework for topology optimization of multiscale nonlinear structures. With the intention to alleviate the heavy computational burden of the design framework, the authors present a POD-based adaptive surrogate model for the RVE solutions at the microscopic scale and make a step further towards the design of multiscale elastoviscoplastic structures. Various optimization methods for structural size, shape, and topology designs have been developed and widely employed in engineering applications. Topology optimization has been recognized as one of the most effective tools for least weight and performance design, especially in aeronautics and aerospace engineering. This book focuses on the simultaneous design of both macroscopic structure and microscopic materials. In this model, the material microstructures are optimized in response to the macroscopic solution, which results in the nonlinearity of the equilibrium problem of the interface of the two scales. The authors include a reduce database model from a set of numerical experiments in the space of effective strain. Presents the first attempts towards topology optimization design of nonlinear highly heterogeneous structures Helps with simultaneous design of the topologies of both macroscopic structure and microscopic materials Helps with development of computer codes for the designs of nonlinear structures and of materials with extreme constitutive properties Focuses on the simultaneous design of both macroscopic structure and microscopic materials Includes a reduce database model from a set of numerical experiments in the space of effective strain