References of "Schilling, Tanja 50003011"
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See detailThe stiffness of the liquid-crystal interface
Schilling, Tanja UL

Scientific Conference (2014, May)

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See detailSimple Colloidal Models for Conductive Composites
Schilling, Tanja UL

Scientific Conference (2014, April)

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See detailStrong Effect ofWeak Charging in Suspensions of Anisotropic Colloids
Dorosz, Sven UL; Shegokar, Nikhilesh; Schilling, Tanja UL et al

in Soft Matter (2014)

Suspensions of hard colloidal particles frequently serve as model systems in studies on fundamental aspects of phase transitions. But often colloidal particles that are considered as ``hard'' are in fact ... [more ▼]

Suspensions of hard colloidal particles frequently serve as model systems in studies on fundamental aspects of phase transitions. But often colloidal particles that are considered as ``hard'' are in fact weakly charged. If the colloids are spherical, weak charging has a only a weak effect on the structural properties of the suspension, which can be easily corrected for. However, this does not hold for anisotropic particles. We introduce a model for the interaction potential between charged ellipsoids of revolution (spheroids) based on the Derjaguin approximation of Debye--Hückel Theory and present a computer simulation study on aspects of the system's structural properties and phase behaviour. In line with previous experimental observations, we find that even a weak surface charge has a strong impact on the correlation functions. A likewise strong impact is seen on the phase behaviour, in particular, we find stable cubatic order in suspensions of oblate ellipsoids. [less ▲]

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See detailInfuence of random pinning on the crystallization process in suspensions of hard spheres
Dorosz, Sven UL; Schilling, Tanja UL

in Journal of Crystallization Process and Technology (2014), 4(2),

We discuss crystal formation in supersaturated suspensions of monodisperse hard spheres with a concentration of hard spheres randomly pinned in space and time. The pinning procedure introduces an external ... [more ▼]

We discuss crystal formation in supersaturated suspensions of monodisperse hard spheres with a concentration of hard spheres randomly pinned in space and time. The pinning procedure introduces an external length scale and an external time scale that restrict the accessible number of con gurations and ultimately the number of pathways leading to crystallization. We observe a signi cant drop in the nucleation rate density at a characteristic pinning concentration that can be directly related to the structure of the critical nucleus and the dynamics of its formation in the unpinned system. [less ▲]

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See detailSolid phase properties and crystallization in simple model systems
Turci, Francesco UL; Schilling, Tanja UL; Yamani, M.H et al

in European Physical Journal. Special Topics (2014), 223

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous ... [more ▼]

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model systems of hard spheres and Lennard–Jones particles. For the equilibrium properties of bulk and interfaces, density functional theories employing fundamental measure functionals prove to be a precise and versatile tool, as exemplified with a closer analysis of the hard sphere crystal–liquid interface. A detailed understanding of the dynamic process of nucleation in these model systems nevertheless still relies on simulational approaches. We review bulk nucleation and nucleation at structured walls and examine in closer detail the influence of walls with variable strength on nucleation in the Lennard–Jones fluid. We find that a planar crystalline substrate induces the growth of a crystalline film for a large range of lattice spacings and interaction potentials. Only a strongly incommensurate substrate and a very weakly attractive substrate [less ▲]

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See detailSolvent hydrodynamics speed up crystal nucleation in suspensions of hard spheres
Radu, Marc UL; Schilling, Tanja UL

in Europhysics Letters [=EPL] (2014), 105

We present a computer simulation study on the crystal nucleation process in suspensions of hard spheres, fully taking into account the solvent hydrodynamics. If the dynamics of crystallization in this ... [more ▼]

We present a computer simulation study on the crystal nucleation process in suspensions of hard spheres, fully taking into account the solvent hydrodynamics. If the dynamics of crystallization in this system were purely diffusive, the crystal nucleation rate would be inversely proportional to the solvent viscosity. However, we observe that the nucleation rate is enhanced at high viscosities with respect to the diffusive behaviour. This effect might explain the large discrepancy between the nuclation rates obtained by simulation and experiment that have been reported in the literature so far. [less ▲]

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See detailSimulations in the Theory of Soft Matter Group
Schilling, Tanja UL

Scientific Conference (2014, January)

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See detailZehntropie
Schilling, Tanja UL

Presentation (2014, January)

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See detailCrystal nucleation mechanism in melts of short polymer chains under quiescent conditions and under shear flow
Anwar, Muhammad UL; Berryman, Josh UL; Schilling, Tanja UL

in Journal of Chemical Physics (2014), (141), 124910

We present a molecular dynamics simulation study of crystal nucleation from undercooled melts of n-alkanes, and we identify the molecular mechanism of homogeneous crystal nucleation under quiescent ... [more ▼]

We present a molecular dynamics simulation study of crystal nucleation from undercooled melts of n-alkanes, and we identify the molecular mechanism of homogeneous crystal nucleation under quiescent conditions and under shear flow. We compare results for n-eicosane (C20) and npentacontahectane (C150), i.e., one system below the entanglement length and one above, at 20%– 30% undercooling. Under quiescent conditions, we observe that entanglement does not have an effect on the nucleation mechanism. For both chain lengths, the chains first align and then straighten locally, then the local density increases and finally positional ordering sets in. At low shear rates the nucleation mechanism is the same as under quiescent conditions, while at high shear rates the chains align and straighten at the same time. We report on the effects of shear rate and temperature on the nucleation rates and estimate the critical shear rates, beyond which the nucleation rates increase with the shear rate. In agreement with previous experimental observation and theoretical work, we find that the critical shear rate corresponds to a Weissenberg number of order 1. Finally, we show that the viscosity of the system is not affected by the crystalline nuclei. [less ▲]

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See detailCrystallization mechanism in melts of short n-alkane chains
Anwar, Muhammad UL; Turci, Francesco UL; Schilling, Tanja UL

in Journal of Chemical Physics (2013), 139(21),

We study crystallization in a model system for eicosane (C20) by means of molecular dynamics simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the ... [more ▼]

We study crystallization in a model system for eicosane (C20) by means of molecular dynamics simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the nucleation process, we observe that chains first align and then straighten. Then the local density increases and finally the monomer units become ordered positionally. The subsequent crystal growth process is characterized by a sliding-in motion of the chains. Chains preferably attach to the crystalline cluster with one end and then move along the stems of already crystallized chains towards their final position. This process is cooperative, i.e., neighboring chains tend to get attached in clusters rather than independently. [less ▲]

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See detailMixtures of anisotropic and spherical colloids: Phase behavior, confinement, percolation phenomena and kinetics
Schilling, Tanja UL; Dorosz, Sven UL; Radu, Marc UL et al

in European Physical Journal. Special Topics (2013)

Purely entropic systems such as suspensions of hard rods, platelets and spheres show rich phase behavior. Rods and platelets have successfully been used as models to predict the equilibrium properties of ... [more ▼]

Purely entropic systems such as suspensions of hard rods, platelets and spheres show rich phase behavior. Rods and platelets have successfully been used as models to predict the equilibrium properties of liquid crystals for several decades. Over the past years hard particle models have also been studied in the context of non-equilibrium statistical mechanics, in particular regarding the glass transition, jamming, sedimentation and crystallization. Recently suspensions of hard anisotropic particles also moved into the focus of materials scientists who work on conducting soft matter composites. An insulating polymer resin that is mixed with conductive filler particles becomes conductive when the filler percolates. In this context the mathematical topic of connectivity percolation finds an application in modern nano-technology. In this article, we briefly review recent work on the phase behavior, confinement effects, percolation transition and phase transition kinetics in hard particle models. In the first part, we discuss the effects that particle anisotropy and depletion have on the percolation transition. In the second part, we present results on the kinetics of the liquid-to-crystal transition in suspensions of spheres and of ellipsoids. [less ▲]

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See detailCrystallization in glassy suspensions of hard ellipsoids
Dorosz, Sven UL; Schilling, Tanja UL

in Journal of Chemical Physics (2013), 139(12),

We have carried out computer simulations of overcompressed suspensions of hard monodisperse ellipsoids and observed their crystallization dynamics. The system was compressed very rapidly in order to reach ... [more ▼]

We have carried out computer simulations of overcompressed suspensions of hard monodisperse ellipsoids and observed their crystallization dynamics. The system was compressed very rapidly in order to reach the regime of slow, glass-like dynamics. We find that, although particle dynamics become sub-diffusive and the intermediate scattering function clearly develops a shoulder, crystallization proceeds via the usual scenario: nucleation and growth for small supersaturations, spinodal decomposition for large supersaturations. In particular, we compared the mobility of the particles in the regions where crystallization set in with the mobility in the rest of the system. We did not find any signature in the dynamics of the melt that pointed towards the imminent crystallization events. [less ▲]

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See detailSolvent effects on crystal nucleation in colloidal suspensions
Schilling, Tanja UL

Scientific Conference (2013)

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See detailDepletion-interaction effects on the tunneling conductivity of nanorod suspensions
Nigro, B.; Grimaldi, C.; Miller, M.A et al

in Physical Review. E : Statistical, Nonlinear, and Soft Matter Physics (2013), 88(042140),

We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are ... [more ▼]

We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are implemented as tunneling processes, leading to a more detailed and realistic description than a discontinuous percolation approach. We find that the spheres enhance the tunneling conductivity for a given concentration of rods and that the enhancement increases with rod concentration into the regime where the conducting network is well established. By reformulating the network of rods using a critical path analysis, we quantify the effect of depletion-induced attraction between the rods due to the spheres. Furthermore, we show that our conductivity data are quantitatively reproduced by an effective-medium approximation, which explicitly relates the system tunneling conductance to the structure of the rod-sphere fluid. [less ▲]

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See detailSolvent effects on crystal nucleation in colloidal suspensions
Schilling, Tanja UL

Scientific Conference (2013)

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See detailCrystallization in colloidal suspensions
Schilling, Tanja UL

Scientific Conference (2013)

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See detailPredicting Materials Properties, A Computer Game
Schilling, Tanja UL

Presentation (2013)

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See detailPredicting Materials Properties - A Computer Game
Schilling, Tanja UL

Presentation (2013)

Detailed reference viewed: 38 (2 UL)
See detailCrystallization in colloidal suspensions
Schilling, Tanja UL

Presentation (2013)

Detailed reference viewed: 37 (6 UL)
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See detailGrowth kinetics of solid-liquid interface
Turci, Francesco UL; Schilling, Tanja UL; Oettel, Martin

Poster (2013)

Detailed reference viewed: 72 (5 UL)