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Inverse design of self-assembling Frank-Kasper phases and insights into emergent quasicrystals

preprint
submitted on 01.12.2017 and posted on 05.12.2017 by Beth Lindquist, Ryan Jadrich, William Pineros, Thomas Truskett
We discuss how a machine learning approach based on relative entropy optimization can be used as an inverse design strategy to discover isotropic pair interactions that self-assemble single- or multi-component particle systems into Frank-Kasper phases. In doing so, we also gain insights into self-assembly of quasicrystals.

Funding

NSF, Welch

History

Email Address of SubmittingAuthor

blindqu2@utexas.edu

Email Address(es) for Other Author(s)

rjadrich@utexas.edu, wdp0@utexas.edu, truskett@che.utexas.edu

Institution

University of Texas at Austin

Country

USA

ORCID For Submitting Author

0000-0003-0447-9787

Declaration of Conflict of Interest

no conflict of interest

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