Phase behavior and material properties of hollow nanoparticles

Effective pair potentials for hollow nanoparticles like the ones made from carbon (fullerenes) or metal dichalcogenides (inorganic fullerenes) consist of a hard core repulsion and a deep, but short-ranged, van der Waals attraction. We investigate them for single- and multi-walled nanoparticles and show that in both cases, in the limit of large radii the interaction range scales inversely with the radius, $R$, while the well depth scales linearly with $R$. We predict the values of the radius $R$ and the wall thickness $h$ at which the gas-liquid coexistence disappears from the phase diagram. We also discuss unusual material properties of the solid, which include a large heat of sublimation and a small surface energy.Comment: Revtex, 13 pages with 8 Postscript files included, submitted to Phys. Rev.

Elastic Interactions of Cells

Biological cells in soft materials can be modeled as anisotropic force contraction dipoles. The corresponding elastic interaction potentials are long-ranged ($\sim 1/r^3$ with distance $r$) and depend sensitively on elastic constants, geometry and cellular orientations. On elastic substrates, the elastic interaction is similar to that of electric quadrupoles in two dimensions and for dense systems leads to aggregation with herringbone order on a cellular scale. Free and clamped surfaces of samples of finite size introduce attractive and repulsive corrections, respectively, which vary on the macroscopic scale. Our theory predicts cell reorientation on stretched elastic substrates.Comment: Revtex, 6 pages, 2 Postscript files included, to appear in Phys. Rev. Let

Stochastic dynamics of adhesion clusters under shared constant force and with rebinding

Single receptor-ligand bonds have finite lifetimes, so that biological systems can dynamically react to changes in their environment. In cell adhesion, adhesion bonds usually act cooperatively in adhesion clusters. Outside the cellular context, adhesion clusters can be probed quantitatively by attaching receptors and ligands to opposing surfaces. Here we present a detailed theoretical analysis of the stochastic dynamics of a cluster of parallel bonds under shared constant loading and with rebinding. Analytical solutions for the appropriate one-step master equation are presented for special cases, while the general case is treated with exact stochastic simulations. If the completely dissociated state is modeled as an absorbing boundary, mean cluster lifetime is finite and can be calculated exactly. We also present a detailed analysis of fluctuation effects and discuss various approximations to the full stochastic description.Comment: Revtex, 29 pages, 23 postscript figures included (some with reduced image quality

Bending Frustration of Lipid-Water Mesophases Based on Cubic Minimal Surfaces

Inverse bicontinuous cubic phases are ubiquitous in lipid-water mixtures and consist of a lipid bilayer forming a cubic minimal surface, thereby dividing space into two cubic networks of water channels. For small hydrocarbon chain lengths, the monolayers can be modeled as parallel surfaces to a minimal midsurface. The bending energy of the cubic phases is determined by the distribution of Gaussian curvature over the minimal midsurfaces which we calculate for seven different structures (G, D, P, I-WP, C(P), S and F-RD). We show that the free-energy densities of the structures G, D and P are considerably lower than those of the other investigated structures due to their narrow distribution of Gaussian curvature. The Bonnet transformation between G, D, and P implies that these phases coexist along a triple line, which also includes an excess water phase. Our model includes thermal membrane undulations. Our qualitative predictions remain unchanged when higher order terms in the curvature energy are included. Calculated phase diagrams agree well with the experimental results for 2:1 lauric acid/dilauroyl phosphatidylcholine and water.Comment: Revtex, 23 pages with 9 postscript figures included, to appear in Langmui

Deformation and tribology of multi-walled hollow nanoparticles

Multi-walled hollow nanoparticles made from tungsten disulphide (WS$_2$) show exceptional tribological performance as additives to liquid lubricants due to effective transfer of low shear strength material onto the sliding surfaces. Using a scaling approach based on continuum elasticity theory for shells and pairwise summation of van der Waals interactions, we show that van der Waals interactions cause strong adhesion to the substrate which favors release of delaminated layers onto the surfaces. For large and thin nanoparticles, van der Waals adhesion can cause considerable deformation and subsequent delamination. For the thick WS$_2$ nanoparticles, deformation due to van der Waals interactions remains small and the main mechanism for delamination is pressure which in fact leads to collapse beyond a critical value. We also discuss the effect of shear flow on deformation and rolling on the substrate.Comment: Latex, 13 pages with 3 Postscript figures included, to appear in Europhysics Letter

Collective effects in cellular structure formation mediated by compliant environments: a Monte Carlo study

Compliant environments can mediate interactions between mechanically active cells like fibroblasts. Starting with a phenomenological model for the behaviour of single cells, we use extensive Monte Carlo simulations to predict non-trivial structure formation for cell communities on soft elastic substrates as a function of elastic moduli, cell density, noise and cell position geometry. In general, we find a disordered structure as well as ordered string-like and ring-like structures. The transition between ordered and disordered structures is controlled both by cell density and noise level, while the transition between string- and ring-like ordered structures is controlled by the Poisson ratio. Similar effects are observed in three dimensions. Our results suggest that in regard to elastic effects, healthy connective tissue usually is in a macroscopically disordered state, but can be switched to a macroscopically ordered state by appropriate parameter variations, in a way that is reminiscent of wound contraction or diseased states like contracture.Comment: 45 pages, 7 postscript figures included, revised version accepted for publication in Acta Biomateriali

Effect of Poisson ratio on cellular structure formation

Mechanically active cells in soft media act as force dipoles. The resulting elastic interactions are long-ranged and favor the formation of strings. We show analytically that due to screening, the effective interaction between strings decays exponentially, with a decay length determined only by geometry. Both for disordered and ordered arrangements of cells, we predict novel phase transitions from paraelastic to ferroelastic and anti-ferroelastic phases as a function of Poisson ratio.Comment: 4 pages, Revtex, 4 Postscript figures include

Mean encounter times for cell adhesion in hydrodynamic flow: analytical progress by dimensional reduction

For a cell moving in hydrodynamic flow above a wall, translational and rotational degrees of freedom are coupled by the Stokes equation. In addition, there is a close coupling of convection and diffusion due to the position-dependent mobility. These couplings render calculation of the mean encounter time between cell surface receptors and ligands on the substrate very difficult. Here we show for a two-dimensional model system how analytical progress can be achieved by treating motion in the vertical direction by an effective reaction term in the mean first passage time equation for the rotational degree of freedom. The strength of this reaction term can either be estimated from equilibrium considerations or used as a fit parameter. Our analytical results are confirmed by computer simulations and allow to assess the relative roles of convection and diffusion for different scaling regimes of interest.Comment: Reftex, postscript figures include

Solitonic spin-liquid state due to the violation of the Lifshitz condition in Fe1+y_{1+y}Te

A combination of phenomenological analysis and M\"ossbauer spectroscopy experiments on the tetragonal Fe$_{1+y}$Te system indicates that the magnetic ordering transition in compounds with higher Fe-excess, $y\ge$ 0.11, is unconventional. Experimentally, a liquid-like magnetic precursor with quasi-static spin-order is found from significantly broadened M\"ossbauer spectra at temperatures above the antiferromagnetic transition. The incommensurate spin-density wave (SDW) order in Fe$_{1+y}$Te is described by a magnetic free energy that violates the weak Lifshitz condition in the Landau theory of second-order transitions. The presence of multiple Lifshitz invariants provides the mechanism to create multidimensional, twisted, and modulated solitonic phases.Comment: 5 pages, 2 figure