Robust multiscale simulation-based design of multifunctional materials (original) (raw)

Multiscale Modeling for the Science and Engineering of Materials

International Journal for Multiscale Computational Engineering, 2021

Material discovery and development drives innovation and is a key component for almost all cutting edge technologies today. With progress in computing power and numerical methods, multiscale modeling has been a rapidly growing requirement in the science and engineering of materials. However, unresolved challenges in true multiscale modeling have thus far prevented engineers and scientists from realizing its full potential and, as a result, its success in production applications is not widespread. Particularly difficult challenges to multiscale simulations are the vastly different physics at different scales among different materials manufactured with different procedures and used in different applications with different performance indicators. To help address these challenges Dassault Systèmes has brought together the power of multiple software brands to combine the expertise in multiphysics simulations from quantum and molecular to continuum and system scale with a purpose to promote the production usage of multiscale modeling to design, develop, and validate sustainable and programmable materials. In this paper, the key multiscale modeling and simulation technologies from Dassault Systèmes will be introduced with a focus on the realistic industrial applications via an end-to-end digital thread on the 3DEXPERIENCE Platform. Our goal is to provide a fundamental and general framework to allow engineers to construct microscale models, and deduce the macroscale laws and the constitutive relations by proper homogenization, with seamless integration to our native material modeling capabilities, for quantitative, rigorous analysis of the overall response and failure modes of advanced multiphase materials.

Roadmap on multiscale materials modeling

Modelling and Simulation in Materials Science and Engineering, 2020

Modeling and simulation is transforming modern materials science, becoming an important tool for the discovery of new materials and material phenomena, for gaining insight into the processes that govern materials behavior, and, increasingly, for quantitative predictions that can be used as part of a design tool in full partnership with experimental synthesis and characterization. Modeling and simulation is the essential bridge from good science to good engineering, spanning from fundamental understanding of materials behavior to deliberate design of new materials technologies leveraging new properties and processes. This Roadmap presents a broad overview of the extensive impact computational modeling has had in materials science in the past few decades, and offers focused perspectives on where the path forward lies as this rapidly expanding field evolves to meet the challenges of the next few decades. The Roadmap offers perspectives on advances within disciplines as diverse as phase...

Preface: Multiscale and Multiphysics Modeling of "Complex" Materials and Engineering Applications

International Journal for Multiscale Computational Engineering

The present volume is a special issue of selected papers from the 11th edition of a special symposium session, "Multiscale and Multiphysics Modeling for Complex Materials," organized within the framework of the 9th International Conference on Computational Methods (ICCM2018), held in Rome, Italy, in August 2018, with Professor Trovalusci as chairman. The early focus of the symposium was to bridge the gap between solid mechanics and materials science, providing a forum for the presentation of fundamental, theoretical, experimental, and practical aspects of mechanical modeling of materials with complex microstructures and complex behavior.

The Emerging Role of Multiscale Modeling in Nano- and Micro-mechanics of Materials

Cmes-computer Modeling in Engineering & Sciences, 2002

As a result of surging interest in finding fundamental descriptions for the strength and failure properties of materials, and the exciting prospects of designing materials from their atomic level, an international symposium on Multiscale Modeling was convened in Los Angeles during August 23 25, 2000. In this symposium, 23 speakers with research interests spanning fields as diverse as traditional mechanics, physics, chemistry and materials science have given talks at this symposium. The topics of discussion were focused on sub-continuum modeling of the mechanics of materials, taking into account the atomic structure of solid materials. The main motivation of the symposium was the realization of the limitations of current continuum mechanics modeling approaches (e.g. the finite element method (FEM)) to describe the behavior of materials at scales smaller than tens of microns. The speakers represented the international scientific community in different countries, and utilized diverse s...

An Overview of Multiscale Simulations of Materials

2004

Multiscale modeling of material properties has emerged as one of the grand challenges in material science and engineering. We provide a comprehensive, though not exhaustive, overview of the current status of multiscale simulations of materials. We categorize the different approaches in the spatial regime into sequential and concurrent, and we discuss in some detail representative methods in each category. We classify the multiscale modeling approaches that deal with the temporal scale into three different categories, and we discuss representative methods pertaining to the each of these categories. Finally, we offer some views on the strength and weakness of the multiscale approaches that are discussed, and touch upon some of the challenging multiscale modeling problems that need to be addressed in the future.

Multiscale analysis and design in heterogeneous system

2003

In computational quantum steel design of CyberSteel 2020, we need to combine material science, quantum physics, and continuum mechanics with multiscale analysis. In this talk, we first give a brief review of experimental results of macroscopic observations, micro-scale voids, sub-micron scale recrystallization, and nano-scale dislocations and twins. Simulation results of each scale physics using meshfree methods, such as shear banding, crack growth modeled by dislocations, and nano-scale debonding are also given. Hierarchical and concurrent multiple scale modeling of heterogeneous systems and their governing equations, which involve gradient terms that are similar to gradient plasticity however with multi-independent fields, are then derived followed by the development of hierarchical and concurrent multiscale simulation methods. These are fundamentally necessary to account for the multiple scale behavior observed in heterogeneous materials.

Multiscale Modeling of Complex Materials

CISM International Centre for Mechanical Sciences, 2014

The mechanical behaviour of complex materials, characterised at finer scales by the presence of heterogeneities of significant size and texture, strongly depends on their microstructural features. Attention is centred on multiscale approaches which aim to deduce properties and relations at a given macroscale by bridging information at proper underlying microlevel via energy equivalence criteria. Focus is on physically-based corpuscular-continuous models originated by the molecular models developed in the 19 th century to give an explanation per causas of elasticity. In particular, the 'mechanistic-energetistic' approach by Voigt and Poincaré who, when dealing with the paradoxes deriving from the search of the exact number of elastic constants in linear elasticity, respectively introduced molecular models with moment and multi-body interactions is examined. Thus overcoming the experimental discrepancies related to the so-called central-force scheme, originally adopted by Navier, Cauchy and Poisson.

Complexity science of multiscale materials via stochastic computations

2009

New technological advances today allow for a range of advanced composite materials, including multilayer materials and nanofiber-matrix composites. In this context, the key to developing advanced materials is the understanding of the interplay between the various physical scales present, from the atomic level interactions, to the microstructural composition and the macroscale behavior. Using the developing "Multiresolution Data Sets Mechanics", the "predictive science based governing laws of the materials microstructure evolutions" are derived and melted into a "Stochastic Multiresolution Design Framework." Under such a framework, the governing laws of the materials microstructure evolution will be essential to assess, across multiple scales, the impact of multiscale material design, geometry design of a structure, and the manufacturing process conditions, by following the cause-effect relationships from structure to property and then to performance.