Modeling the polydomain-monodomain transition of liquid crystal elastomers

Whitmer, Jonathan K.; Roberts, Tyler F.; Shekhar, Raj; Abbott, Nicholas L.; de Pablo, Juan J.

doi:10.1103/PhysRevE.87.020502

Modeling the polydomain-monodomain transition of liquid crystal elastomers

Journal Article · Wed Feb 13 04:00:00 EST 2013 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

DOI:https://doi.org/10.1103/PhysRevE.87.020502· OSTI ID:1603419

Whitmer, Jonathan K. ^[1]; Roberts, Tyler F. ^[2]; Shekhar, Raj ^[2]; Abbott, Nicholas L. ^[2]; de Pablo, Juan J. ^[3]

Univ. of Wisconsin, Madison, WI (United States); Cornell University
Univ. of Wisconsin, Madison, WI (United States)
Univ. of Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Here, we study the mechanism of the polydomain-monodomain transition in liquid crystalline elastomers at the molecular scale. A coarse-grained model is proposed in which mesogens are described as ellipsoidal particles. Molecular dynamics simulations are used to examine the transition from a polydomain state to a monodomain state in the presence of uniaxial strain. Our model demonstrates soft elasticity, similar to that exhibited by side-chain elastomers in the literature. By analyzing the growth dynamics of nematic domains during uniaxial extension, we provide direct evidence that at a molecular level the polydomain-monodomain transition proceeds through cluster rotation and domain growth.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Wisconsin, Madison, WI (United States); Univ. of Chicago, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)

Grant/Contract Number:: SC0004025

OSTI ID:: 1603419

Journal Information:: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, Journal Name: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics Journal Issue: 2 Vol. 87; ISSN 1539-3755; ISSN PLEEE8

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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