This README.txt file was generated on 2019/05/14 by Abhiram Reddy


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GENERAL INFORMATION
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1. Title of Dataset:

Source Data for Xueyan Feng, Christopher J. Burke, Mujin Zhou, Hua Guo, Kaiqi Yang, Abhiram Reddy, Ishan Prasad, Rong-Ming Ho, Apostolos Avgeropoulos, Gregory M. Grason & Edwin L. Thomas, "Seeing mesoatomic distortions in soft-matter crystals of a double-gyroid block copolymer", Nature, https://doi.org/10.1038/s41586-019-1706-1 (2019).


2. Author Information

  First Author Contact Information
        Name: Xueyan Feng
           Institution: Rice University
           Address: Department of Material Science and Nano Engineering, Rice University, Houston, TX, 77005, USA
           Email: xf7@rice.edu
 
        Name: Abhiram Reddy
           Institution: University of Massachusetts, Amherst
           Address: Department of Polymer Science and Engineering, University of Massachusetts, Amherst, Massachusetts 01003, USA
           Email: abhiramreddy.a@gmail.com

  Corresponding Author Contact Information
        Name: Greg Grason
           Institution: University of Massachusetts Amherst
           Address: Department of Polymer Science and Engineering, University of Massachusetts, Amherst, Massachusetts 01003, USA
           Email: grason@mail.pse.umass.edu

        Name: Edwin Thomas
           Institution: Rice University
           Address: Department of Material Science and Nano Engineering, Rice University, Houston, TX, 77005, USA
           Email: elt@rice.edu



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DATA & DIRECTORY OVERVIEW
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List of Directories:
   A. Directory:        SVSEM_Grain-1
      Short description:        Slice and view SEM tomography data from Grain 1 of PS-PDMS double gyroid (tiff stack).

        
   B. Directory:        SVSEM_Grain-2
      Short description:        Slice and view SEM tomography data from Grain 2 of PS-PDMS double gyroid (tiff stack).

         
   C. Directory:        SVSEM_Grain-3
      Short description:        Slice and view SEM tomography data from Grain 3 of PS-PDMS double gyroid (tiff stack).

        
   D. Directory:        SCFT_Cubic
      Short description:        Self-consistent field theory data for mean field cubic double gyroid phase, including 3D composition data (tiff stack) and input file for PSCF code (text).   

        
   E. Directory:        SCFT_Affine
      Short description:        Affinely deformed transformation of cubic double SCFT gyroid to a triclinic symmetry matching that of SVSEM_Grain-1 (tiff stack).   


    F. Directory:        SCFT_Triclinic
      Short description:        Self-consistent field theory data for mean field triclinic double gyroid phase, with the triclinic symmetry matching that of SVSEM_Grain-1,  including 3D composition data (tiff stack) and input file for PSCF code (text).

     G. Directory:        Analysis_Software
      Short description:        Directory of Mathematica and MatLab codes written for analysis of tiff-stack intensity data (both SVSEM and SCF), including a README file (text) detailing the workflow and code usage, 5 Mathematica notebooks (.nb), 4 MatLab files (.m) and a subdirectory of 6 additional MatLab functions (.m).   
      
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EXPERIMENTAL & COMPUTATIONAL DATA INFORMATION
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1. Sample-specific information:

The polystyrene-b-poly(dimethylsiloxane) (PS-PDMS) diblock copolymer sample, described in doi:10.1021/ma4013863 and doi:10.1002/polb.21838, was synthesized by sequential anionic polymerization of styrene and hexamethylcyclotrisiloxane. The polymer has number average molecular weights of 43.5 kg/mol (PS) and 29.0 kg/mol (PDMS) with an overall composition of 40% volume fraction PDMS and PDI of 1.04. The sample studied was slowly cast (1 week) from a 10 wt % solution (2ml) in toluene.  After drying, the sample was heated to 60¡ C for 3 days with vacuum in order to remove any residual solvent.



2. Equipment-specific information:

Slice and view SEM tomography
Thermo Fisher Helios NanoLab 660 SEM/FIB DualBeam system was employed for data acquisition. A focused Ga ion beam (FIB) of 30 KeV with a beam current of 80 pA was used to mill the sample surface. A 1 KeV electron beam with beam current of 50 pA was used to image the sample surface with a Through Lens (TLD) secondary electron (SE) detector.

Self-consistent field theory computations
PSCF code (http://pscf.cems.umn.edu/)  was used to perform self-consistent field theory calculations of diblock copolymer melts as described in doi: 10.1021/acs.macromol.6b00107 .



3. Date of data collection:
2017-2019