We propose a new numerical technique to deal with nonlinear terms in gradient flows. By introducing a scalar auxiliary variable (SAV), we construct efficient and robust energy stable schemes for a large class of gradient flows. The SAV approach is not restricted to specific forms of the nonlinear part of the free energy, and only requires to solve decoupled linear equations with constant coefficients. We use this technique to deal with several challenging applications which can not be easily handled by existing approaches, and present convincing numerical results to show that our schemes are not only much more efficient and easy to implement, but can also better capture the physical properties in these models. Based on this SAV approach, we can construct unconditionally second-order energy stable schemes; and we can easily construct even third or fourth order BDF schemes, although not unconditionally stable, which are very robust in practice. In particular, when coupled with an adaptive time stepping strategy, the SAV approach can be extremely efficient and accurate.
We carry out convergence and error analysis of the scalar auxiliary variable (SAV) methods for L 2 and H −1 gradient flows with a typical form of free energy. We first derive H 2 bounds, under certain assumptions suitable for both the gradient flows and the SAV schemes, which allow us to establish the convergence of the SAV schemes under mild conditions. We then derive error estimates with further regularity assumptions. We also discuss several other gradient flows, which can not be cast in the general framework used in this paper, but for which convergence and error analysis can still be established using a similar procedure.
We construct a tensor model for nematic phases of bent-core molecules from molecular theory. The form of free energy is determined by molecular symmetry, which includes the couplings and derivatives of a vector and two second-order tensors, with the coefficients determined by molecular parameters. We use the model to study the nematic phases resulted from the hard-core potential. Unlike most macroscopic models, we are able to obtain the phase diagram about the molecular parameters, but not merely some phenomenological coefficients. The tensor model is applicable to other molecules with the same symmetry, which we demonstrate by studying the phase diagram of star molecules.
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