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Title: Special Issue: Predictive multiscale materials modeling

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Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Physics
Additional Journal Information:
Journal Volume: 338; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-08 21:58:13; Journal ID: ISSN 0021-9991
Country of Publication:
United States

Citation Formats

Katsoulakis, M. A., and Zabaras, N.. Special Issue: Predictive multiscale materials modeling. United States: N. p., 2017. Web. doi:10.1016/
Katsoulakis, M. A., & Zabaras, N.. Special Issue: Predictive multiscale materials modeling. United States. doi:10.1016/
Katsoulakis, M. A., and Zabaras, N.. 2017. "Special Issue: Predictive multiscale materials modeling". United States. doi:10.1016/
title = {Special Issue: Predictive multiscale materials modeling},
author = {Katsoulakis, M. A. and Zabaras, N.},
abstractNote = {},
doi = {10.1016/},
journal = {Journal of Computational Physics},
number = C,
volume = 338,
place = {United States},
year = 2017,
month = 6

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on March 10, 2018
Publisher's Accepted Manuscript

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  • Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platformmore » in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.« less
  • The importance of uncertainty has been recognized in various modeling, simulation, and analysis applications, where inherent assumptions and simplifications affect the accuracy of model predictions for physical phenomena. As model predictions are now heavily relied upon for simulation-based system design, which includes new materials, vehicles, mechanical and civil structures, and even new drugs, wrong model predictions could potentially cause catastrophic consequences. Therefore, uncertainty and associated risks due to model errors should be quantified to support robust systems engineering.
  • In this introduction to the special issue on 'Parallel computing in climate and weather modeling', we review the historical development of computer models of the weather and climate system, and the application of novel, high performance parallel computing technologies to the execution of these models. We also provide some context for the articles that follow by summarizing the structure of typical models and the numerical methods used to implement them. Finally, we describe the eight articles in the special issue, and outline challenges that must be addressed in future research.
  • A theoretical framework for the hierarchical multiscale modeling of inelastic response of heterogeneous materials has been presented. Within this multiscale framework, the second gradient is used as a non local kinematic link between the response of a material point at the coarse scale and the response of a neighborhood of material points at the fine scale. Kinematic consistency between these scales results in specific requirements for constraints on the fluctuation field. The wryness tensor serves as a second-order measure of strain. The nature of the second-order strain induces anti-symmetry in the first order stress at the coarse scale. The multiscalemore » ISV constitutive theory is couched in the coarse scale intermediate configuration, from which an important new concept in scale transitions emerges, namely scale invariance of dissipation. Finally, a strategy for developing meaningful kinematic ISVs and the proper free energy functions and evolution kinetics is presented.« less