Data from: Thermal Processing of Diblock Copolymer Melts Mimics Metallurgy

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https://doi.org/10.13020/D6QK5P
https://hdl.handle.net/11299/188126

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Keywords

Block Polymers

Self-Consistent Field Theory

Frank-Kasper Phases

Diblock Copolymers

Collection period

2016-05-10
2017-01-05

Date completed

2017-05-05

Date updated

Time period coverage

Geographic coverage

Source information

Journal Title

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Volume Title

Title

Data from: Thermal Processing of Diblock Copolymer Melts Mimics Metallurgy

Published Date

2017-05-22

Authors

Kim, Kyungtae

Schulze, Morgan W

Arora, Akash

Lewis III, Ronald M

Hillmyer, Marc A

Dorfman, Kevin D

Bates, Frank S

Group

Author Contact

Dorfman, Kevin D
dorfman@umn.edu

Type

Dataset
Simulation Data

Abstract

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 polyhedral shapes.

Description

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.

Referenced by

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.
https://doi.org/10.1126/science.aam7212

Related to

SUPPLEMENTARY MATERIALS (Materials and Methods): www.sciencemag.org/content/356/6337/520/suppl/DC1

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Data Repository for U of M (DRUM)
Dorfman Group Research Data

Funding information

National Science Foundation under grants DMR-1104368 and DMR-1333669

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Previously Published Citation

Suggested citation

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 University Digital Conservancy, https://doi.org/10.13020/D6QK5P.

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