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

Nikola Kovachki, Burigede Liu, Xingsheng Sun, Hao Zhou, Kaushik Bhattacharya, Michael Ortiz, Andrew Stuart

Research output: Contribution to journalArticlepeer-review

18 Scopus citations


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.

Original languageEnglish
Article number104156
JournalMechanics of Materials
StatePublished - Feb 2022

Bibliographical note

Funding Information:
The work described in Sections 4, 6 and 7 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’.

Publisher Copyright:
© 2021 Elsevier Ltd


  • Machine learning
  • Materials by design
  • Multiscale modeling
  • Uncertainty quantification

ASJC Scopus subject areas

  • Mechanics of Materials
  • Instrumentation
  • Materials Science (all)


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