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

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

A constructive commutative quantum Lovasz Local Lemma, and beyond

The recently proven Quantum Lovasz Local Lemma generalises the well-known Lovasz Local Lemma. It states that, if a collection of subspace constraints are "weakly dependent", there necessarily exists a state satisfying all constraints. It implies e.g. that certain instances of the kQSAT quantum satisfiability problem are necessarily satisfiable, or that many-body systems with "not too many" interactions are always frustration-free. However, the QLLL only asserts existence; it says nothing about how to find the state. Inspired by Moser's breakthrough classical results, we present a constructive version of the QLLL in the setting of commuting constraints, proving that a simple quantum algorithm converges efficiently to the required state. In fact, we provide two different proofs, one using a novel quantum coupling argument, the other a more explicit combinatorial analysis. Both proofs are independent of the QLLL. So these results also provide independent, constructive proofs of the commutative QLLL itself, but strengthen it significantly by giving an efficient algorithm for finding the state whose existence is asserted by the QLLL. We give an application of the constructive commutative QLLL to convergence of CP maps. We also extend these results to the non-commutative setting. However, our proof of the general constructive QLLL relies on a conjecture which we are only able to prove in special cases.Comment: 43 pages, 2 conjectures, no figures; unresolved gap in the proof; see arXiv:1311.6474 or arXiv:1310.7766 for correct proofs of the symmetric cas

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