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Published February 2022 | public
Journal Article Open

Multiscale modeling of materials: Computing, data science, uncertainty and goal-oriented optimization


The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material system whose properties are optimized by manipulating its underlying microstructure through processing. The specific configuration of the structure is then designed by characterizing the material in detail, and using this characterization along with physical principles in system level simulations and optimization. These have been advanced by multiscale modeling of materials, high-throughput experimentations, materials data-bases, topology optimization and other ideas. Still, developing materials for extreme applications involving large deformation, high strain rates and high temperatures remains a challenge. This article reviews a number of recent methods that advance the goal of designing materials targeted by specific applications.

Additional Information

© 2021 Elsevier Ltd. Received 12 April 2021, Revised 10 November 2021, Accepted 11 November 2021, Available online 27 November 2021. The work described in Sections 4 Machine-learning material behavior, 6 Uncertainty quantification across scales, 7 Concurrent optimization of material and structure was sponsored by the Army Research Laboratory, United States and was accomplished under Cooperative Agreement Number W911NF-12-2-0022. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Army Research Laboratory or the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation herein The work described in Section 3 was sponsored by the Air Force Office of Scientific Research, United States under the MURI Award FA9550-16-1-0566. The work described in Section 5 was sponsored by the Air Force Office of Scientific Research, United States through the Center of Excellence on High-Rate Deformation Physics of Heterogeneous Materials, Award FA9550-12-1-0091 and the Deutsche Forschungsgemeinschaft, Germany through the Sonderforschungsbereich 1060 'The mathematics of emergent effects'. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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August 22, 2023
August 22, 2023