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Martin Kröger

Publications and source records attributed to Martin Kröger.

12 recordsLinked to original sources

Unifying kinetic approach to phoretic forces and torques onto moving and rotating convex particles.

We derive general expressions and present several examples for the phoretic forces and torques acting on a translationally moving and rotating convex tracer particle, usually a submicrosized aerosol particle, assumed to be small compared to the mean free path of the surrounding nonequilibrium gas. Point of departure is an expression of the stress tensor in terms of half-sphere integrals to be evaluated with the inhomogeneous velocity distribution function of the surrounding gas, more specifically, its approximation in terms of a finite number of moments. A worked out example covers Grad's 13 moment approximation in and out of the so-called hydrodynamic approximation. We implement an accommodation coefficient characterizing the collision process in order to derive the tracer particle's complete equations of motion in a form which offers the possibility for immediate numerical implementation, and the analytical exploration of the effect of particle shape and size on phoretic drift velocity. Explicit expressions for axisymmetric, spherical, cylindrical, and also cuboidal particles are presented, discussed, and successfully compared with the rarely available, previously treated special cases, thus supporting the unifying approach presented in this manuscript.

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Phoretic forces on convex particles from kinetic theory and nonequilibrium thermodynamics.

In this article we derive the phoretic forces acting on a tracer particle, which is assumed to be small compared to the mean free path of the surrounding nonequilibrium gas, but large compared to the size of the surrounding gas molecules. First, we review and extend the calculations of Waldmann [Z. Naturforsch. A 14A, 589 (1959)] using half-sphere integrations and an accommodation coefficient characterizing the collision process. The presented methodology is applied to a gas subject to temperature, pressure, and velocity gradients. Corresponding thermophoretic, barophoretic, and rheophoretic forces are derived, and explicit expressions for spherical particles are compared to known results. Second, nonequilibrium thermodynamics is used to join the diffusion equation for the tracer particle with the continuum equations of nonisothermal hydrodynamics of the solvent. So doing, the distinct origin of the thermophoretic and barophoretic forces is demonstrated. While the latter enters similarly to an interaction potential, the former is given by flux-flux correlations in terms of a Green-Kubo relation, as shown in detail.

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Anisotropic self-diffusion in ferrofluids studied via Brownian dynamics simulations.

The anisotropic self-diffusion in ferrofluids in the presence of a magnetic field is studied by Brownian dynamics simulations. It is found that the diffusion parallel to the magnetic field is hindered when compared to the case without field. Depending on the strength of dipolar interactions, the diffusion perpendicular to the applied field is either enhanced or hindered due to the field. The average diffusion coefficient is found to decrease with increasing concentration and dipolar interaction strength, but to be independent of the magnetic field strength for moderate dipolar interactions. Comparison to mean-field models show agreement for moderate dipolar interaction strengths but significant deviations in the regime of strong dipolar interactions.

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Anisotropy of the magnetoviscous effect in ferrofluids.

The anisotropy of the magnetoviscous effect in ferrofluids subjected to weak planar Couette flow is investigated by extensive molecular simulations. The field and concentration dependence of the viscosity coefficients are found to depend on the relative orientation of the magnetic field with respect to the flow geometry. Comparison with dynamical mean-field models shows satisfactory agreement for moderate interaction strengths. In the semidilute regime it is found that the anisotropy contains valuable information on particle interaction.

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Magnetoviscosity of semidilute ferrofluids and the role of dipolar interactions: comparison of molecular simulations and dynamical mean-field theory.

Extensive molecular simulations on a model ferrofluid are performed in order to study magnetoviscous and viscoelastic phenomena in semidilute ferrofluids. Simulation results of the nonequilibrium magnetization, shear viscosity, and normal stress differences are presented. Rotational and configurational contributions to the shear viscosity are analyzed and their influence on the magnetoviscous effect is discussed. The simplified model of noninteracting magnetic dipoles describes the nonequilibrium magnetization and the rotational viscosity, but does not account for configurational viscosity contributions and normal stress differences. Improved mean-field models that overcome these limitations show good agreement with the simulation results for weak dipolar interactions where the models should apply. Comparisons to simulation results for various interaction strengths allow us to determine the range of validity of the mean-field models.

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Microscopic structure, dynamics, and wear at metal-metal interfaces in sliding contact.

The "generic embedded atom model" (GEAM) has been investigated recently [Phys. Rev. E 69, 021509 (2004)]] to analyze the qualitative equilibrium and nonequilibrium properties of bulk metals in both undeformed and shear deformed states. In the present work, a natural extension of the GEAM is proposed and applied to characterize the microscopic structure, dynamics, and wear at clean commensurate metal(A) - metal(A) and metal(A) - metal(B) sliding interfaces. Nonequilibrium molecular dynamics simulation, used as a GEAM solver, reveals that the dynamics of dislocations, crystalline domains, and related flow behaviors (stress tensor, shear moduli) are coupled. The rotation of crystal domains is detected to trigger material mixing at the interface in early stages of sliding. Further, we study the dependence of structural changes in inhomogeneous metal interfaces on the relevant model parameters. A relation is established between shear moduli, effective shear rate, and shear stress across the interface.

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Structural changes and viscoplastic behavior of a generic embedded-atom model metal in steady shear flow.

We study equilibrium and nonequilibrium properties of a simple "generic embedded-atom model" (GEAM) for metals. The model allows to derive simple analytical expressions for several zero-temperature constitutive properties--in overall agreement with real metals. The model metal is then subjected to shear deformation and strong flow via nonequilibrium molecular dynamics simulation in order to discuss the origins of some qualitative properties observed using more specific embedded-atom potentials. The "common neighbor analysis," based on planar graphs is used to obtain information about the transient structures accompanying viscoplastic behavior on an atomic level. In particular, pressure tensor components and plastic yield are investigated and correlated with underlying structural changes. A simple analytical expression for the isotropic pressure at finite temperatures is proposed. A nonequilibrium phase diagram is obtained by semianalytic calculation.

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Dynamics of colloidal suspensions of ferromagnetic particles in plane Couette flow: comparison of approximate solutions with Brownian dynamics simulations.

The stationary and oscillatory properties of dilute ferromagnetic colloidal suspensions in plane Couette flow are studied. Analytical expressions for the off-equilibrium magnetization and the shear viscosity are obtained within the so-called effective field approximation. We also investigate the predictions of a different approximation based on the linearized moment expansion. Direct numerical simulation of the kinetic model are performed in order to test the range of validity of these approximations.

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Phase behavior and structure of Janus fluids.

The equilibrium phase behavior of Janus fluids is examined based on a model potential for the interaction between their constituents. Janus fluids consist of axisymmetric particles possessing two different "faces," e.g., one hydrophobic and one hydrophilic surface, and the interaction depends on the relative orientation. Starting from a short range, isotropic potential we make an ansatz for an anisotropic model interaction potential. Two types of symmetries of the particles are considered. One leads to a polar phase. The Helmholtz free energy and the pressure are calculated by the help of an augmented van der Waals approximation. A qualitative phase diagram is obtained. The appearance of a polar phase and the corresponding transition temperature are examined adapting a Landau-de Gennes expansion of the orientational part of the free energy. Monte Carlo simulations are performed and the results are compared with the ones obtained by the analytical description.

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Crossover between short- and long-time behavior of stress fluctuations and viscoelasticity of liquids.

An effective viscosity coefficient is introduced based on definite time averages of equilibrium stress fluctuations rather than stress correlations. Analysis of this quantity via molecular dynamics of a simple model liquid reveals a crossover between the expected short-time elastic and the long-time viscous behavior with increasing averaging time. The procedure allows us to extract the zero-rate shear viscosity when the averaging time becomes one order of magnitude larger than the relevant relaxation time. A relationship between this effective viscosity and the dynamic viscosities is established.

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Chaotic orientational behavior of a nematic liquid crystal subjected to a steady shear flow.

Based on a relaxation equation for the second rank alignment tensor characterizing the molecular orientation in liquid crystals, we report on a number of symmetry-breaking transient states and simple periodic and irregular, chaotic out-of-plane orbits under steady flow. Both an intermittency route and a period-doubling route to chaos are found for this five-dimensional dynamic system in a certain range of parameters (shear rate, tumbling parameter at isotropic-nematic coexistence, and reduced temperature). A link to the corresponding rheochaotic states, present in complex fluids, is made.

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Magnetization dynamics, rheology, and an effective description of ferromagnetic units in dilute suspension.

The rheological properties of a dilute suspension of ellipsoidal ferromagnetic particles in the presence of a magnetic field are studied on the basis of a kinetic model, where the flow and magnetic external fields couple in qualitatively different ways to the orientational behavior of the suspension. In the uniaxial phase the stress tensor is found to be of the same form as in the Ericksen-Leslie theory for nematic liquid crystals in the steady state. Expressions for a complete set of viscosity coefficients in terms of orientational order parameters are worked out. In the low Péclet number regime, the viscosity coefficients are given as explicit functions of the magnetic field and a particle shape factor, where the shape factor may equally represent a nonspherical unit (agglomerate, chain) composed of spherical particles. Effects due to possible flow-induced breakup of units are not covered in this work. Further, by considering the magnetization as the only relevant variable, a magnetization equation within an effective field approach is derived from the kinetic equation and compared to existing magnetization equations. The alignment angle of the magnetization and the first and second normal stress coefficient are studied for the special case of plane Couette flow. The assumptions employed are tested against a Brownian dynamics simulation of the full kinetic model, and a few comparisons with experimental data are made.

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