Physical Review Research· 2026Q1
Out-of-equilibrium modeling of lyotropic liquid crystals: from binary simulations to multi-component theory
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- 2026year
Short summary
A new thermodynamically consistent theory, based on the GENERIC formalism, accurately models out-of-equilibrium lyotropic liquid crystals, matching experimental defect observations and flow-driven shape changes.
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Key points
- A new GENERIC-based theory provides a thermodynamically consistent model for out-of-equilibrium lyotropic liquid crystals.
- The theory couples concentration, momentum, and liquid crystalline order parameters.
- Numerical simulations of binary systems match experimental observations of topological defects and flow-driven shape transitions.
- The framework is extendable to multi-component systems, multiple interfaces, active materials, and external fields.
AI-generated from the title and abstract; the full text is not read.
Abstract
We present a thermodynamically consistent theoretical framework for lyotropic liquid crystals (LCs) based on the GENERIC (General Equation for the Non-Equilibrium Reversible-Irreversible Coupling) formalism. This formalism ensures conservation of energy and production of entropy, while coupling concentration, momentum balance, and liquid crystalline order. Starting from a binary nematic-isotropic mixture, we derive a theory for these key variables, which is then extended to multi-component systems. The binary equations are solved numerically using a Julia-based solver that relies on an upwind finite-difference scheme, enabling stable and efficient simulations capable of handling multiple time scales while satisfying fundamental mathematical constraints. The results of simulations are consistent with experimental observations of topological core defects in chromonic LCs, as well as flow-driven droplet shape transitions under Couette and Poiseuille flows. This work provides a platform for simulations of multi-component lyotropic LCs that can be extended to systems with multiple interfaces, active materials, and materials subject to external fields.
The authors' abstract, as published at the source. Physical Review Research, 2026 · DOI ↗
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Field: Electronic, Optical and Magnetic Materials
Electronic, Optical and Magnetic MaterialsMaterials Science