arXiv subjects

Axel Voigt

Publications and source records attributed to Axel Voigt.

At least 73 records · Page 4Linked to original sources

arXiv2021

The impact of contact inhibition on collective cell migration and proliferation

Contact inhibition limits migration and proliferation of cells in cell colonies. We consider a multiphase field model to investigate the growth dynamics of a cell colony, composed of proliferating cells. The model takes into account the mechanisms of contact inhibition of locomotion and proliferation by local mechanical interactions. We compare non-migrating and migrating cells, in order to provide a quantitative characterization of the dynamics and analyse the velocity of the colony boundary for both cases. Additionally, we measure single cell velocities, number of neighbour distributions, as well as the influence of stress and age on positions of the cells and with respect to each other. We further compare the findings with experimental data for Madin-Darby canine kidney cells

cond-mat.soft↗

arXiv2021

Active nematodynamics on curved surfaces -- the influence of geometric forces on motion patterns of topological defects

We derive and numerically solve a surface active nematodynamics model. We validate the numerical approach on a sphere and analyse the influence of hydrodynamics on the oscillatory motion of topological defects. For ellipsoidal surfaces the influence of geometric forces on these motion patterns is addressed by taking into account the effects of intrinsic as well as extrinsic curvature contributions. The numerical experiments demonstrate the stronger coupling with geometric properties if extrinsic curvature contributions are present and provide a possibility to tune flow and defect motion by surface properties.

cond-mat.soft↗

arXiv2021

Multiphase field models for collective cell migration

Confluent cell monolayers and epithelia tissues show remarkable patterns and correlations in structural arrangements and actively-driven collective flows. We simulate these properties using multiphase field models. The models are based on cell deformations and cell-cell interactions and we investigate the influence of microscopic details to incorporate active forces on emerging phenomena. We compare four different approaches, one in which the activity is determined by a random orientation, one where the activity is related to the deformation of the cells and two models with subcellular details to resolve the mechanochemical interactions underlying cell migration. The models are compared with respect to generic features, such as solid-to-liquid phase transitions, cell shape variability, emerging nematic properties, as well as vorticity correlations and flow patterns in large confluent monolayers and confinements. All results are compared with experimental data for a large variety of cell cultures. The appearing qualitative differences of the models show the importance of microscopic details and provide a route towards predictive simulations of patterns and correlations in cell colonies.

cond-mat.soft↗

arXiv2021

Mesoscale Defect Motion in Binary Systems: Effects of Compositional Strain and Cottrell Atmospheres

The velocity of dislocations is derived analytically to incorporate and predict the intriguing effects induced by the preferential solute segregation and Cottrell atmospheres in both two-dimensional and three-dimensional binary systems of various crystalline symmetries. The corresponding mesoscopic description of defect dynamics is constructed through the amplitude formulation of the phase-field crystal model which has been shown to accurately capture elasticity and plasticity in a wide variety of systems. Modifications of the Peach-Koehler force as a result of solute concentration variations and compositional stresses are presented, leading to interesting new predictions of defect motion due to effects of Cottrell atmospheres. These include the deflection of dislocation glide paths, the variation of climb speed and direction, and the change or prevention of defect annihilation, all of which play an important role in determining the fundamental behaviors of complex defect network and dynamics. The analytic results are verified by numerical simulations.

cond-mat.mtrl-sci↗

arXiv2021

Deformable active nematic particles and emerging edge currents in circular confinements

We consider a microscopic field theoretical approach for interacting active nematic particles. With only steric interactions the self-propulsion strength in such systems can lead to different collective behaviour, e.g., synchronized self-spinning and collective translation. The different behaviour results from the delicate interplay between internal nematic structure, particle shape deformation and particle-particle interaction. For intermediate active strength an asymmetric shape emerges and leads to chirality and self-spinning crystals. For larger active strength the shape is symmetric and translational collective motion emerges. Within circular confinements, depending on the packing fraction, the self-spinning regime either stabilizes positional and orientational order or can lead to edge currents and global rotation which destroys the synchronized self-spinning crystalline structure.

cond-mat.soft↗

arXiv2020

Doubly Degenerate Diffuse Interface Models of Surface Diffusion

We discuss two doubly degenerate Cahn-Hilliard (DDCH) models for isotropic surface diffusion. Degeneracy is introduced in both the mobility function and a restriction function associated to the chemical potential. Our computational results suggest that the restriction functions yield more accurate approximations of surface diffusion. We consider a slight generalization of a model that has appeared before, which is non-variational, meaning there is no clear energy that is dissipated along the solution trajectories. We also introduce a new variational and, more precisely, energy dissipative model, which can be related to the generalized non-variational model. For both models we use formal matched asymptotics to show the convergence to the sharp interface limit of surface diffusion.

math.NA↗

arXiv2020

Doubly Degenerate Diffuse Interface Models of Anisotropic Surface Diffusion

We extend the doubly degenerate Cahn-Hilliard (DDCH) models for isotropic surface diffusion, which yield more accurate approximations than classical degenerate Cahn-Hilliard (DCH) models, to the anisotropic case. We consider both weak and strong anisotropies and demonstrate the capabilities of the approach for these cases numerically. The proposed model provides a variational and energy dissipative approach for anisotropic surface diffusion, enabling large scale simulations with material-specific parameters.

math.NA↗

arXiv2020

Hyperuniform monocrystalline structures by spinodal solid-state dewetting

Materials featuring anomalous suppression of density fluctuations over large length scales are emerging systems known as disordered hyperuniform. The underlying hidden order renders them appealing for several applications, such as light management and topologically protected electronic states. These applications require scalable fabrication, which is hard to achieve with available top-down approaches. Theoretically, it is known that spinodal decomposition can lead to disordered hyperuniform architectures. Spontaneous formation of stable patterns could thus be a viable path for the bottom-up fabrication of these materials. Here we show that mono-crystalline semiconductor-based structures, in particular Si$_{1-x}$Ge$_{x}$ layers deposited on silicon-on-insulator substrates, can undergo spinodal solid-state dewetting featuring correlated disorder with an effective hyperuniform character. Nano- to micro-metric sized structures targeting specific morphologies and hyperuniform character can be obtained, proving the generality of the approach and paving the way for technological applications of disordered hyperuniform metamaterials. Phase-field simulations explain the underlying non-linear dynamics and the physical origin of the emerging patterns.

cond-mat.mtrl-sci↗

arXiv2020

A numerical approach for fluid deformable surfaces

Fluid deformable surfaces show a solid-fluid duality which establishes a tight interplay between tangential flow and surface deformation. We derive the governing equations as a thin film limit and provide a general numerical approach for their solution. The simulation results demonstrate the rich dynamics resulting from this interplay, where in the presence of curvature any shape change is accompanied by a tangential flow and, vice versa, the surface deforms due to tangential flow. However, they also show that the only possible stable stationary state in the considered setting is a sphere with zero velocity.

physics.comp-ph↗

arXiv2020

Magnetically induced/enhanced coarsening in thin films

External magnetic fields influence the microstructure of polycrystalline materials. We explore the influence of strong external magnetic fields on the long time scaling of grain size during coarsening in thin films with an extended phase-field-crystal model. Additionally, the change of various geometrical and topological properties is studied. In a situation which leads to stagnation, an applied external magnetic field can induce further grain growth. The induced driving force due to the magnetic anisotropy defines the magnetic influence of the external magnetic field. Different scaling regimes are identified dependent on the magnetization. At the beginning, the scaling exponent increases with the strength of the magnetization. Later, when the texture becomes dominated by grains preferably aligned with the external magnetic field, the scaling exponent becomes independent of the strength of the magnetization or stagnation occurs. We discuss how the magnetic influence change the effect of retarding or pinning forces, which are known to influence the scaling exponent. We further study the influence of the magnetic field on the grain size distribution (GSD), next neighbor distribution (NND) as well as grain shape and orientation. If possible, we compare our predictions with experimental findings.

cond-mat.mtrl-sci↗

arXiv2020

Defects in active nematics: algorithms for identification and tracking

The growing interest in active nematics and the emerging evidence of the relevance of topological defects in biology asks for reliable data analysis tools to identify, classify and track such defects in simulation and microscopy data. We here provide such tools and demonstrate on two examples, on an active turbulent state in an active nematodynamic model and on emerging nematic order in a multi-phase field model, the possibility to compare statistical data on defect velocities with experimental results. The considered tools, which are physics based and data driven, are compared with each other.

cond-mat.soft↗

arXiv2019

A coarse-grained phase-field crystal model of plastic motion

The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as well as of dislocation motion. We analyze in detail the elastic distortion and stress regularization at a dislocation core and show how the Burgers vector density can be directly computed from the topological singularities of the phase-field amplitudes. Distortions arising from these amplitudes are then supplemented with non-singular displacements to enforce mechanical equilibrium. This allows for the consistent separation of plastic and elastic time scales in this framework. A finite element method is introduced to solve the combined amplitude and elasticity equations, which is applied to a few prototypical configurations in two spatial dimensions for a crystal of triangular lattice symmetry: i) the stress field induced by an edge dislocation with an analysis of how the amplitude equation regularizes stresses near the dislocation core, ii) the motion of a dislocation dipole as a result of its internal interaction, and iii) the shrinkage of a rotated grain. We also compare our results with those given by other extensions of classical elasticity theory, such as strain-gradient elasticity and methods based on the smoothing of Burgers vector densities near defect cores.

cond-mat.mtrl-sci↗

arXiv2019

Properties of surface Landau-de Gennes Q-tensor models

Uniaxial nematic liquid crystals whose molecular orientation is subjected to a tangential anchoring on a curved surface offer a non trivial interplay between the geometry and the topology of the surface and the orientational degree of freedom. We consider a general thin film limit of a Landau-de Gennes Q-tensor model which retains the characteristics of the 3D model. From this, previously proposed surface models follow as special cases. We compare fundamental properties, such as alignment of the orientational degrees of freedom with principle curvature lines, order parameter symmetry and phase transition type for these models, and suggest experiments to identify proper model assumptions.

cond-mat.soft↗

arXiv2019

Liquid Crystals on Deformable Surfaces

Liquid crystals with molecules constrained to the tangent bundle of a curved surface show interesting phenomena resulting from the tight coupling of the elastic and bulk free energies of the liquid crystal with geometric properties of the surface. We derive thermodynamically consistent Frank-Oseen-Helfrich and Landau-de Gennes-Helfrich models which consider the simultaneous relaxation of the director/Q-tensor fields and the surface. The resulting systems of vector- or tensor-valued surface partial differential equation and geometric evolution laws are numerically solved to tackle the rich dynamics of these systems and to compute the resulting equilibrium shapes. The results strongly depend on the intrinsic and extrinsic curvature contributions and can lead to unexpected asymmetric shapes.

cond-mat.soft↗

arXiv2019

Comment on Geometrical Control of Active Turbulence in Curved Topographies

In the recent letter Pearce et. al. Phys. Rev. Lett. 122, 168002 (2019) the authors investigate the turbulent dynamics of a two-dimensional active nematic liquid crystal which is constrained to the surface of a torus. The underlying model combines an incompressible surface Navier-Stokes equation with friction and active forcing with a surface Landau-de Gennes model for nematic liquid crystals. To numerically solve the surface Navier-Stokes equation a vorticity-stream function approach is considered. This approach is not appropriate on surfaces that are not simply connected - such as the considered torus - due to non-trivial harmonic vector fields. We will explain the underlying situation and provide details and examples to rebut the argumentation in Pearce et. al. Phys. Rev. Lett. 122, 168002 (2019).

cond-mat.soft↗

arXiv2019

Closing the gap between atomic-scale lattice deformations and continuum elasticity

Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived from an atomistic representation of crystalline structures that also include features typical of the microscopic scale. Analytic expressions for strain components are obtained from the complex amplitudes of the Fourier modes representing periodic lattice positions, which can be generally provided by atomistic modeling or experiments. The magnitude and phase of these amplitudes, together with the continuous description of strains, are able to characterize crystal rotations, lattice deformations, and dislocations. Moreover, combined with the so-called amplitude expansion of the phase-field crystal model, they provide a suitable tool for bridging microscopic to macroscopic scales. This study enables the in-depth analysis of elasticity effects for macro- and mesoscale systems taking microscopic details into account.

cond-mat.mtrl-sci↗

arXiv2019

An efficient numerical framework for the amplitude expansion of the phase-field crystal model

The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal model (APFC) allows for describing crystal lattice properties on diffusive timescales by focusing on continuous fields varying on length scales larger than the atomic spacing. Thus, it allows for the simulation of large systems still retaining details of the crystal lattice. Fostered by the applications of this approach, we present here an efficient numerical framework to solve its equations. In particular, we consider a real space approach exploiting the finite element method. An optimized preconditioner is developed in order to improve the convergence of the linear solver. Moreover, a mesh adaptivity criterion based on the local rotation of the polycrystal is used. This results in an unprecedented capability of simulating large, three-dimensional systems including the dynamical description of the microstructures in polycrystalline materials together with their dislocation networks.

physics.comp-ph↗

arXiv2019

Topological and geometrical quantities in active cellular structures

Topological and geometrical properties and the associated topological defects find a rapidly growing interest in studying the interplay between mechanics and the collective behavior of cells on the tissue level. We here test if well studied equilibrium laws for polydisperse passive systems such as the Lewis's and the Aboav-Weaire's law are applicable also for active cellular structures. Large scale simulations, which are based on a multi phase field active polar gel model, indicate that these active cellular structures follow these laws. If the system is in a state of collective motion also quantitative agreement with typical values for passive systems is observed. If this state has not developed quantitative differences can be found. We further compare the model with discrete modeling approaches for cellular structures and show that essential properties, such as T1 transitions and rosettes are naturally fulfilled.

cond-mat.soft↗