Between Dec 19, 2024 and Jan 2, 2025, datasets can be submitted to DRUM but will not be processed until after the break. Staff will not be available to answer email during this period, and will not be able to provide DOIs until after Jan 2. If you are in need of a DOI during this period, consider Dryad or OpenICPSR. Submission responses to the UDC may also be delayed during this time.

Browsing by Author "Dorfman Research Group"

Now showing 1 - 9 of 9
  • Thumbnail Image
    Item
    Data files for Liquid-Like States in Micelle-Forming Diblock Copolymer Melts
    (2023-07-06) Dorfman, Kevin D; Wang, Zhen-Gang; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    These are the SCFT output and processed files reported in this paper. Instructions for regenerating all intermediate data files are also included.
  • Thumbnail Image
    Item
    Data for "Stability of Cubic Single Network Phases in Diblock Copolymer Melts"
    (2022-07-25) Chen, Pengyu; Mahanthappa, Mahesh K; Dorfman, Kevin D; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    This dataset contains the self-consistent field theory (SCFT) simulation results and data for geometric analysis in "Stability of cubic single networks in diblock copolymer melts" by Chen et. al. (DOI: 10.1002/pol.20220318). SCFT was used to investigate the stability of cubic single and double network phases. Geometric analysis, including the calculations of mean curvatures and interfacial areas per unit volume of the domain interface, was used to understand the metastability of the single network phases. With this dataset, users should be able to regenerate the calculations and figures that appeared in the paper.
  • Thumbnail Image
    Item
    Data for "Stability of the Double Gyroid Phase in Bottlebrush Diblock Copolymer Melts"
    (2021-10-04) Park, So Jung; Cheong, Guo Kang; Bates, Frank S; Dorfman, Kevin D; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    This data set contains the input and output data files used for the self-consistent field theory simulations in "Stability of the double gyroid phase in bottlebrush diblock copolymer melts" by Park et al. Self-consistent field theory was used to study the self-assembly of bottlebrush block copolymers, focusing on the effect of the bottlebrush architecture on the stability of the double gyroid phase.
  • Thumbnail Image
    Item
    Data for "The disordered micelle regime in a conformationally asymmetric diblock copolymer melt"
    (2021-10-21) Cheong, Guo Kang; Dorfman, Kevin D; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    Data appearing in the publication "The disordered micelle regime in a conformationally asymmetric diblock copolymer melt". This paper reports Monte Carlo Field Theoretic Simulation (MC-FTS) results for diblock copolymers in the sphere-forming region of the phase diagram. The archived data are the post-processed trajectories. Owing to their size, the raw trajectories for the fields are not stored.
  • Thumbnail Image
    Item
    Data for Chain and Structural Dynamics in Melts of Sphere-Forming Diblock Copolymers
    (2024-07-22) Chawla, Anshul; Bates, Frank S; Dorfman, Kevin D; Morse, David C; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    Processed simulation data appearing in the related manuscript
  • Thumbnail Image
    Item
    Data for Equilibrium Phase Behavior of Gyroid-Forming Diblock Polymer Thin Films
    (2024-08-08) Magruder, Benjamin; Ellison, Christopher; Dorfman, Kevin; dorfman@umn.edu; Dorfman, Kevin; Dorfman Research Group
    The dataset contains the results of thin-film self-consistent field theory calculations for the double-gyroid phase and other related phases in AB diblock polymers. All results used to construct the figures in the referenced manuscript are included in this dataset, along with many of the scripts used to perform the analysis in the manuscript. To reduce the size of the dataset, we opted to include only the first and last field file in each parameter sweep, though we kept the corresponding summary file at every state point in every sweep, and included all necessary input files to regenerate the data if desired. The PSCF software package (C++ version) was used to generate this dataset (https://github.com/dmorse/pscfpp).
  • Thumbnail Image
    Item
    Data for Mechanism of Escape of a Single Chain from a Diblock Copolymer Micelle
    (2022-12-19) Seeger, Sarah C; Lodge, Timothy P; Dorfman, Kevin D; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    Simulation input files and processed data appearing in the related manuscript.
  • Thumbnail Image
    Item
    Data for Simulations of sphere-forming diblock copolymer melts
    (2022-09-15) Chawla, Anshul; Bates, Frank S; Dorfman, Kevin D; Morse, David C; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    Processed simulation data appearing in the related manuscript.
  • Thumbnail Image
    Item
    Input and data for "Simulating precursor steps for fibril formation in methylcellulose solutions"
    (2019-05-08) Sethuraman, Vaidyanathan; Dorfman, Kevin D; dorfman@umn.edu; Dorfman, Kevin D; Dorfman Research Group
    We use coarse-grained molecular dynamics simulations to study the precursor steps for fibril formation in methylcellulose solutions. Simulations of ring stacking between two collapsed methylcellulose chains demonstrate the existence of a capture radius that is much larger than that predicted by polymer diffusion alone. When two rings are in very close proximity, they stack together to form a fibril precursor. Simulations of stacks of such rings suggest that this structure is metastable. In contrast, chains that are within the capture radius but not in close proximity, as well as for systems containing both ringlike and relaxed chains, fibril-like structures form via a distinctly different mechanism. Irrespective of their initial arrangement, the chains undergo two specific conformational changes: (i) a part of either a ring or a randomly coiled chain splays out and (ii) the splayed chain subsequently engulfs a nearby chain if it is within a certain capture distance. The latter results are consistent with recent experimental measurements of fibril formation by short methylcellulose chains, which suggests the formation of a twisted bundle.