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Title: Coherent states formulation of polymer field theory

Abstract

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations. The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.

Authors:
;  [1];  [2];  [3]
  1. Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States)
  2. Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States)
  3. Institut de Physique Théorique, CE-Saclay, CEA, F-91191 Gif-sur-Yvette Cedex (France)
Publication Date:
OSTI Identifier:
22253617
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 140; Journal Issue: 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANNIHILATION OPERATORS; COMPUTERIZED SIMULATION; EIGENSTATES; FIELD THEORIES; FLUCTUATIONS; POLYMERS; POLYNOMIALS; SAMPLING; SOLUTIONS

Citation Formats

Man, Xingkun, Villet, Michael C., Materials Research Laboratory, University of California, Santa Barbara, California 93106, Delaney, Kris T., Orland, Henri, Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu, Materials Research Laboratory, University of California, Santa Barbara, California 93106, and Materials Department, University of California, Santa Barbara, California 93106. Coherent states formulation of polymer field theory. United States: N. p., 2014. Web. doi:10.1063/1.4860978.
Man, Xingkun, Villet, Michael C., Materials Research Laboratory, University of California, Santa Barbara, California 93106, Delaney, Kris T., Orland, Henri, Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu, Materials Research Laboratory, University of California, Santa Barbara, California 93106, & Materials Department, University of California, Santa Barbara, California 93106. Coherent states formulation of polymer field theory. United States. https://doi.org/10.1063/1.4860978
Man, Xingkun, Villet, Michael C., Materials Research Laboratory, University of California, Santa Barbara, California 93106, Delaney, Kris T., Orland, Henri, Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu, Materials Research Laboratory, University of California, Santa Barbara, California 93106, and Materials Department, University of California, Santa Barbara, California 93106. 2014. "Coherent states formulation of polymer field theory". United States. https://doi.org/10.1063/1.4860978.
@article{osti_22253617,
title = {Coherent states formulation of polymer field theory},
author = {Man, Xingkun and Villet, Michael C. and Materials Research Laboratory, University of California, Santa Barbara, California 93106 and Delaney, Kris T. and Orland, Henri and Fredrickson, Glenn H., E-mail: ghf@mrl.ucsb.edu and Materials Research Laboratory, University of California, Santa Barbara, California 93106 and Materials Department, University of California, Santa Barbara, California 93106},
abstractNote = {We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations. The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.},
doi = {10.1063/1.4860978},
url = {https://www.osti.gov/biblio/22253617}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 2,
volume = 140,
place = {United States},
year = {Tue Jan 14 00:00:00 EST 2014},
month = {Tue Jan 14 00:00:00 EST 2014}
}