An efficient algorithm for generating diverse microstructure sets and delineating properties closures. (1st April 2018)

• Record Type: Journal Article
• Authors: Johnson, Oliver K.; Kurniawan, Christian
• Is Part Of: Acta materialia. Volume 147(2018)
• Page Start: 313
• Page End: 321
• Publication Date: 2018-04-01
• Subjects: Microstructure -- Microstructure hull -- Properties closure -- Microstructure design; Materials -- Periodicals; Materials science -- Periodicals; Materials -- Mechanical properties -- Periodicals; Metallurgy -- Periodicals; Chemistry, Inorganic -- Periodicals; 620.112
• DOI: 10.1016/j.actamat.2018.01.004
• Languages: English
• ISSNs: 1359-6454

Abstract

Abstract: Properties closures delineate the theoretical objective space for materials design problems, allowing designers to make informed trade-offs between competing constraints and target properties. We present a new algorithm called hierarchical simplex sampling (HSS) that approximates properties closures more efficiently and faithfully than traditional optimization based approaches. By construction, HSS generates samples of microstructure statistics that span the corresponding microstructure hull. As a result, we also find that HSS can be coupled with synthetic polycrystal generation software to generate diverse sets of microstructures for subsequent mesoscale simulations. By more broadly sampling the space of possible microstructures, it is anticipated that such diverse microstructure sets will expand our understanding of the influence of microstructure on macroscale effective properties and inform the construction of higher-fidelity mesoscale structure-property models. Graphical abstract: Image 1