Small-angle x-ray scattering experiments conducted with compositionally asymmetric low
molar mass poly(isoprene)-b-poly(lactide) diblock copolymers reveal an extraordinary
thermal history dependence. The development of distinct periodic crystalline or aperiodic
quasicrystalline states depends on how specimens are cooled from the disordered state to
temperatures below the order-disorder transition temperature. Whereas direct cooling
leads to the formation of documented morphologies, rapidly quenched samples that
are then heated from low temperature form the hexagonal C14 and cubic C15 Laves phases
commonly found in metal alloys. Self-consistent mean-field theory calculations show
that these, and other associated Frank-Kasper phases, have nearly degenerate free
energies, suggesting that processing history drives the material into long-lived metastable
states defined by self-assembled particles with discrete populations of volumes and
The data provided here contains the results of self-consistent field theory (SCFT) calculations. Specifically, the folder contains the input and output files for all the SCFT calculations that are shown in Fig. 1 of the main manuscript and Figs. S2-S7 of the supplemental materials. Using these files and the open source PSCF software available at pscf.cems.umn.edu, one can reproduce all the SCFT results presented in the main manuscript and its supplemental materials.
National Science Foundation under grants DMR-1104368 and DMR-1333669
Kim, K., Schulze, M. W., Arora, A., Lewis, R. M., Hillmyer, M. A., Dorfman, K. D., & Bates, F. S. (2017). Thermal processing of diblock copolymer melts mimics metallurgy. Science, 356(6337), 520-523.
SUPPLEMENTARY MATERIALS (Materials and Methods): www.sciencemag.org/content/356/6337/520/suppl/DC1
Depositor did not specify a license. Material may be reused with appropriate attribution.
Kim, Kyungtae; Schulze, Morgan W; Arora, Akash; Lewis III, Ronald M; Hillmyer, Marc A; Dorfman, Kevin D; Bates, Frank S.
(2017). Data from: Thermal Processing of Diblock Copolymer Melts Mimics Metallurgy.
Retrieved from the Data Repository for the University of Minnesota,