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The Ohta-Kawasaki equation models the mesoscopic phase separation of immiscible polymer chains that form diblock copolymers, with applications in directed self-assembly for lithography. We perform a mathematical analysis of this model under degenerate mobility and an external force, proving the existence of weak solutions via an approximation scheme for the mobility function. Additionally, we propose a fully discrete scheme for the system and demonstrate the existence and uniqueness of its discrete solution, showing that it inherits essential structural-preserving properties. Finally, we conduct numerical experiments to compare the Ohta-Kawasaki system with the classical Cahn-Hilliard model, highlighting the impact of the repulsion parameter on the phase separation dynamics.

In this work, we propose a structure-preserving discretisation for the recently studied Cahn-Hilliard-Biot system using conforming finite elements in space and problem-adapted explicit-implicit Euler time integration. We prove that the scheme preserves the thermodynamic structure, that is, the balance of mass and volumetric fluid content and the energy dissipation balance. The existence of discrete solutions is established under suitable growth conditions. Furthermore, it is shown that the algorithm can be realised as a splitting method, that is, decoupling the Cahn-Hilliard subsystem from the poro-elasticity subsystem, while the first one is nonlinear and the second subsystem is linear. The schemes are illustrated by numerical examples and a convergence test., Comment: 25 pages; 5 figures

We consider systematic numerical approximation of a viscoelastic phase separation model that describes the demixing of a polymer solvent mixture. An unconditionally stable discretisation method is proposed based on a finite element approximation in space and a variational time discretization strategy. The proposed method preserves the energy-dissipation structure of the underlying system exactly and allows to establish a fully discrete nonlinear stability estimate in natural norms based on the concept of relative energy. These estimates are used to derive order optimal error estimates for the method under minimal smoothness assumptions on the problem data, despite the presence of various strong nonlinearities in the equations. The theoretical results and main properties of the method are illustrated by numerical simulations which also demonstrate the capability to reproduce the relevant physical effects observed in experiments., Comment: 31 pages; 1 figure

In this research, we introduce and investigate an approximation method that preserves the structural integrity of the non-isothermal Cahn-Hilliard-Navier-Stokes system. Our approach extends a previously proposed technique [1], which utilizes conforming (inf-sup stable) finite elements in space, coupled with implicit time discretization employing convex-concave splitting. Expanding upon this method, we incorporate the unstable P1|P1 pair for the Navier-Stokes contributions, integrating Brezzi-Pitk\"aranta stabilization. Additionally, we improve the enforcement of incompressibility conditions through grad div stabilization. While these techniques are well-established for Navier-Stokes equations, it becomes apparent that for non-isothermal models, they introduce additional coupling terms to the equation governing internal energy. To ensure the conservation of total energy and maintain entropy production, these stabilization terms are appropriately integrated into the internal energy equation., Comment: 8 pages; 8 figures; 1 table

In this work, we derive a $\gamma$-robust a posteriori error estimator for finite element approximations of the Allen-Cahn equation with variable non-degenerate mobility. The estimator utilizes spectral estimates for the linearized steady part of the differential operator as well as a conditional stability estimate based on a weighted sum of Bregman distances, based on the energy and a functional related to the mobility. A suitable reconstruction of the numerical solution in the stability estimate leads to a fully computable estimator., Comment: 21 pages; 6 figures

In this work we propose and analyse a structure-preserving approximation of the non-isothermal Cahn-Hilliard-Navier-Stokes system using conforming finite elements in space and implicit time discretisation with convex-concave splitting. The system is first reformulated into a variational form which reveal the structure of the equations, which is then used in the subsequent approximation., Comment: 10 pages; Proceedings of ENUMATH23

A Cahn-Hilliard-Allen-Cahn phase-field model coupled with a heat transfer equation, particularly with full non-diagonal mobility matrices, is studied. After reformulating the problem w.r.t. the inverse of temperature, we proposed and analysed a structure-preserving approximation for the semi-discretisation in space and then a fully discrete approximation using conforming finite elements and time-stepping methods. We prove structure-preserving property and discrete stability using relative entropy methods for the semi-discrete and fully discrete case. The theoretical results are illustrated by numerical experiments., Comment: 20 pages; 3 figures; 6 pages appendix

We study the numerical solution of a Cahn-Hilliard/Allen-Cahn system with strong coupling through state and gradient dependent non-diagonal mobility matrices. A fully discrete approximation scheme in space and time is proposed which preserves the underlying gradient flow structure and leads to dissipation of the free-energy on the discrete level. Existence and uniqueness of the discrete solution is established and relative energy estimates are used to prove optimal convergence rates in space and time under minimal smoothness assumptions. Numerical tests are presented for illustration of the theoretical results and to demonstrate the viability of the proposed methods., Comment: 23 pages, 14 figures, 1 table. arXiv admin note: text overlap with arXiv:2209.03849

The standard derivation of the Oldroyd-B model starts from a coupled system of the momentum equation for the macroscopic flow on the one hand, and Fokker-Planck dynamics for molecular dumbbells on the other. The constitutive equation is then derived via a closure based upon the second moment of the end-to-end vector distribution. We here present an alternative closure that is rather based upon the first moment, and gives rise to an even simpler constitutive equation. We establish that both closures are physically sound, since both can be derived from (different) well-defined non-equilibrium ensembles, and both are consistent with the Second Law of thermodynamics. In contrast to the standard model, the new model has a free energy and a dissipation rate that are both regular at vanishing conformation tensor. We speculate that this might perhaps alleviate the well-known high Weissenberg number problem, i. e. severe numerical instabilities of the standard model at large flow rates. As the new model permits a trivial solution (vanishing conformation tensor, vanishing polymer stress), an extension may be needed, which includes Langevin noise in order to model thermal fluctuations., Comment: submitted to Journal of Rheology

A system of phase-field equations with strong-coupling through state and gradient dependent non-diagonal mobility matrices is studied. Existence of weak solutions is established by the Galerkin approximation and a-priori estimates in strong norms. Relative energy estimates are used to derive a general nonlinear stability estimate. As a consequence, a weak-strong uniqueness principle is obtained and stability with respect to model parameters is investigated., Comment: 15 pages, 1 figure

We propose and analyze a structure-preserving space-time variational discretization method for the Cahn-Hilliard-Navier-Stokes system. Uniqueness and stability for the discrete problem is established in the presence of concentration dependent mobility and viscosity parameters by means of the relative energy estimates and order optimal convergence rates are established for all variables using balanced approximation spaces and relaxed regularity conditions on the solution. Numerical tests are presented to demonstrate the proposed method is fully practical and yields the predicted convergence rates. The discrete stability estimates developed in this paper may also be used to analyse other discretization schemes, which is briefly outlined in the discussion., Comment: 18 pages + 14 appendix; 2 figures, 1 table

We consider the identifiability and stable numerical estimation of multiple parameters in a Cahn-Hilliard model for phase separation. Spatially resolved measurements of the phase fraction are assumed to be accessible, with which the identifiability of single and multiple parameters up to certain scaling invariances is established. A regularized equation error approach is proposed for the stable numerical solution of the parameter identification problems, and convergence of the regularized approximations is proven under reasonable assumptions on the data noise. The viability of the theoretical results and the proposed methods is demonstrated in numerical tests.

The aim of this work is to prove the global-in-time existence of weak solutions for a viscoelastic phase separation model in three space dimensions. To this end we apply the relative energy concept provided by [3]. We consider the case of regular polynomial-type potentials and positive mobilities, as well as the degenerate case with logarithmic potential and vanishing mobility., Comment: 18 pages, accepted to DCDS

The aim of this paper is to analyze a viscoelastic phase separation model. We derive a suitable notion of the relative energy taking into account the non-convex nature of the energy law for the viscoelastic phase separation. This allows us to prove the weak-strong uniqueness principle. We will provide the estimates for the full model in two space dimensions. For a reduced model we present the estimates in three space dimensions and derive conditional relative energy estimates., Comment: 18 pages

Based on relative energy estimates, we study the stability of solutions to the Cahn-Hilliard equation with concentration dependent mobility with respect to perturbations. As a by-product of our analysis, we obtain a weak-strong uniqueness principle on the continuous level under realistic regularity assumptions on strong solutions. We then show that the stability estimates can be further inherited almost verbatim by appropriate Galerkin approximations in space and time. This allows us to derive sharp bounds for the discretization error in terms of certain projection errors and to establish order-optimal a-priori error estimates for semi- and fully discrete approximation schemes., Comment: 27 pages, 6 figures

In this paper we analyze the three-dimensional Peterlin viscoelastic model. By means of a mixed Galerkin and semigroup approach we prove the existence of a weak solutions. Further combining parabolic regularity with the relative energy method we derive a conditional weak-strong uniqueness result., Comment: 37 pages, 1 figure

(abridged) We present a detailed derivation of a simple hydrodynamic two-fluid model, which aims at the description of the phase separation of non-entangled polymer solutions, where viscoelastic effects play a role. It is directly based upon the coarse-graining of a well-defined molecular model, such that all degrees of freedom have a clear and unambiguous molecular interpretation. The considerations are based upon a free-energy functional, and the dynamics is split into a conservative and a dissipative part, where the latter satisfies the Onsager relations and the Second Law of thermodynamics. The model is therefore fully consistent with both equilibrium and non-equilibrium thermodynamics. The derivation proceeds in two steps: Firstly, we derive an extended model comprising two scalar and four vector fields, such that inertial dynamics of the macromolecules and of the relative motion of the two fluids is taken into account. In the second step, we eliminate these inertial contributions and, as a replacement, introduce phenomenological dissipative terms, which can be modeled easily by taking into account the principles of non-equilibrium thermodynamics. The final simplified model comprises the momentum conservation equation, which includes both interfacial and elastic stresses, a convection-diffusion equation where interfacial and elastic contributions occur as well, and a suitably convected relaxation equation for the end-to-end vector field. In contrast to the traditional two-scale description that is used to derive rheological equations of motion, we here treat the hydrodynamic and the macromolecular degrees of freedom on the same basis. Nevertheless, the resulting model is fairly similar, though not fully identical, to models that have been discussed previously. Notably, we find a rheological constitutive equation that differs from the standard Oldroyd-B model. ..., Comment: Submitted to Journal of Physics Condensed Matter

A new model for viscoelastic phase separation is proposed, based on a systematically derived conservative two-fluid model. Dissipative effects are included by phenomenological viscoelastic terms. By construction, the model is consistent with the second law of thermodynamics, and we study well-posedness of the model, i.e., existence of weak solutions, a weak-strong uniqueness principle, and stability with respect to perturbations, which are proven by means of relative energy estimates. A good qualitative agreement with mesoscopic simulations is observed in numerical tests., Comment: 10 pages, 8 figures

The aim of this paper is to prove global in time existence of weak solutions for a viscoelastic phase separation. We consider the case with singular potentials and degenerate mobilities. Our model couples the diffusive interface model with the Peterlin-Navier-Stokes equations for viscoelastic fluids. To obtain the global in time existence of weak solutions we consider appropriate approximations by solutions of the viscoelastic phase separation with a regular potential and build on the corresponding energy and entropy estimates., Comment: 29 pages, 28 figures. arXiv admin note: text overlap with arXiv:1907.03480

We prove the existence of weak solutions to a viscoelastic phase separation problem in two space dimensions. The mathematical model consists of a Cahn-Hilliard-type equation for two-phase flows and the Peterlin-Navier-Stokes equations for viscoelastic fluids. We focus on the case of a polynomial-like potential and suitably bounded coefficient functions. Using the Lagrange-Galerkin finite element method complex behavior of solution for spinodal decomposition including transient polymeric network structures is demonstrated., Comment: 48 pages,11 figures

We extend the live-cell motility Filament Based Lamellipodium Model to incorporate the forces exerted on the lamellipodium of the cells due to cell-cell collision and cadherin induced cell-cell adhesion. We take into account the nature of these forces via physical and biological constraints and modelling assumptions. We investigate the effect these new components have in the migration and morphology of the cells through particular experiments. We exhibit moreover the similarities between our simulated cells and HeLa cancer cells.

This paper focuses on the study of the Filament Based Lamellipodium Model (FBLM) and the corresponding Finite Element Method (FEM) from a numerical point of view. We study fundamental numerical properties of the FEM and justify the further use of the FBLM. We exhibit that the FEM satisfies a timestep stability condition that is consistent with the nature of the problem. We propose a particular strategy to automatically adapt the time step of the method. We show that the FEM convergences with respect to the (two-dimensional) space discretization in a series of characteristic and representative experiments. We embed and couple the FBLM with a complex extracellular environment comprised of chemical and haptic components and study their combined time evolution. Under this prism, we study the sensitivity of the FBLM on several of its controlling parameters and discuss their influence in the development of the model.

Chemotaxis and haptotaxis have been a main theme in the macroscopic study of bacterial and cellular motility. In this work we investigate the influence these processes have on the shape and motility of fast migrating cells. We note that despite their biological and modelling differences, the cells exhibit many similarities in their migration. We moreover see, that after an initial adjustment phase, the cells obtain a stable shape and their motion is similar to advection.