Transverse flow in thin superhydrophobic channels

We provide some general theoretical results to guide the optimization of transverse hydrodynamic phenomena in superhydrophobic channels. Our focus is on the canonical micro- and nanofluidic geometry of a parallel-plate channel with an arbitrary two-component (low-slip and high-slip) coarse texture, varying on scales larger than the channel thickness. By analyzing rigorous bounds on the permeability, over all possible patterns, we optimize the area fractions, slip lengths, geometry and orientation of the surface texture to maximize transverse flow. In the case of two aligned striped surfaces, very strong transverse flows are possible. Optimized superhydrophobic surfaces may find applications in passive microfluidic mixing and amplification of transverse electrokinetic phenomena.Comment: 4 page

Rate-dependent morphology of Li2O2 growth in Li-O2 batteries

Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge transport and induce mechanical stress. In this Letter we develop a nanoscale continuum model for the growth of Li2O2 crystals in lithium-oxygen batteries with organic electrolytes, based on a theory of electrochemical non-equilibrium thermodynamics originally applied to Li-ion batteries. As in the case of lithium insertion in phase-separating LiFePO4 nanoparticles, the theory predicts a transition from complex to uniform morphologies of Li2O2 with increasing current. Discrete particle growth at low discharge rates becomes suppressed at high rates, resulting in a film of electronically insulating Li2O2 that limits cell performance. We predict that the transition between these surface growth modes occurs at current densities close to the exchange current density of the cathode reaction, consistent with experimental observations.Comment: 8 pages, 6 fig

Nucleation of cracks in a brittle sheet

We use molecular dynamics to study the nucleation of cracks in a two dimensional material without pre-existing cracks. We study models with zero and non-zero shear modulus. In both situations the time required for crack formation obeys an Arrhenius law, from which the energy barrier and pre-factor are extracted for different system sizes. For large systems, the characteristic time of rupture is found to decrease with system size, in agreement with classical Weibull theory. In the case of zero shear modulus, the energy opposing rupture is identified with the breakage of a single atomic layer. In the case of non-zero shear modulus, thermally activated fracture can only be studied within a reasonable time at very high strains. In this case the energy barrier involves the stretching of bonds within several layers, accounting for a much higher barrier compared to the zero shear modulus case. This barrier is understood within adiabatic simulations

Role of disorder in the size-scaling of material strength

We study the sample size dependence of the strength of disordered materials with a flaw, by numerical simulations of lattice models for fracture. We find a crossover between a regime controlled by the fluctuations due to disorder and another controlled by stress-concentrations, ruled by continuum fracture mechanics. The results are formulated in terms of a scaling law involving a statistical fracture process zone. Its existence and scaling properties are only revealed by sampling over many configurations of the disorder. The scaling law is in good agreement with experimental results obtained from notched paper samples.Comment: 4 pages 5 figure

Nonlinear Dynamics of Capacitive Charging and Desalination by Porous Electrodes

The rapid and efficient exchange of ions between porous electrodes and aqueous solutions is important in many applications, such as electrical energy storage by super-capacitors, water desalination and purification by capacitive deionization (or desalination), and capacitive extraction of renewable energy from a salinity difference. Here, we present a unified mean-field theory for capacitive charging and desalination by ideally polarizable porous electrodes (without Faradaic reactions or specific adsorption of ions) in the limit of thin double layers (compared to typical pore dimensions). We illustrate the theory in the case of a dilute, symmetric, binary electrolyte using the Gouy-Chapman-Stern (GCS) model of the double layer, for which simple formulae are available for salt adsorption and capacitive charging of the diffuse part of the double layer. We solve the full GCS mean-field theory numerically for realistic parameters in capacitive deionization, and we derive reduced models for two limiting regimes with different time scales: (i) In the "super-capacitor regime" of small voltages and/or early times where the porous electrode acts like a transmission line, governed by a linear diffusion equation for the electrostatic potential, scaled to the RC time of a single pore. (ii) In the "desalination regime" of large voltages and long times, the porous electrode slowly adsorbs neutral salt, governed by coupled, nonlinear diffusion equations for the pore-averaged potential and salt concentration

Non local damage model Boundary and evolving boundary effects

International audienceThe present contribution aims at providing a closer insight on boundary effects in non local damage modelling. From micromechanics, we show that on a boundary interaction stress components normal to the surface should vanish. These interaction stresses are at the origin of non locality and therefore the material response of points located on the boundary should be partially local. Then, we discuss a tentative modification of the classical non local damage model aimed at accounting for this effect due to existing boundaries and also boundaries that arise from crack propagation. One-dimensional computations show that the profiles of damage are quite different compared to those obtained with the original formulation. The region in which damage is equal to 1 is small. The modified model performs better at complete failure, with a consistent description of discontinuity of the displacement field after failure

Torsional-flexural buckling of unevenly battened columns under eccentrical compressive loading

In this paper, an analytical model is developed to determine the torsional-flexural buckling load of a channel column braced by unevenly distributed batten plates. Solutions of the critical-buckling loads were derived for three boundary cases using the energy method in which the rotating angle between the adjacent battens was presented in the form of a piecewise cubic Hermite interpolation (PCHI) for unequally spaced battens. The validity of the PCHI method was numerically verified by the classic analytical approach for evenly battened columns and a finite-element analysis for unevenly battened ones, respectively. Parameter studies were then performed to examine the effects of loading eccentricities on the torsional-flexural buckling capacity of both evenly and unevenly battened columns. Design parameters taken into account were the ratios of pure torsional buckling load to pure flexural–buckling load, the number and position of battens, and the ratio of the relative extent of the eccentricity. Numerical results were summarized into a series of relative curves indicating the combination of the buckling load and corresponding moments for various buckling ratios.National Natural Science Foundation of China (NSFC) under grant number (No.) 51175442 and Sichuan International Cooperation Research Project under grant No. 2014HH002

Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves

We provide a systematic test of empirical theories of covalent bonding in solids using an exact procedure to invert ab initio cohesive energy curves. By considering multiple structures of the same material, it is possible for the first time to test competing angular functions, expose inconsistencies in the basic assumption of a cluster expansion, and extract general features of covalent bonding. We test our methods on silicon, and provide the direct evidence that the Tersoff-type bond order formalism correctly describes coordination dependence. For bond-bending forces, we obtain skewed angular functions that favor small angles, unlike existing models. As a proof-of-principle demonstration, we derive a Si interatomic potential which exhibits comparable accuracy to existing models.Comment: 4 pages revtex (twocolumn, psfig), 3 figures. Title and some wording (but no content) changed since original submission on 24 April 199

Size effects in statistical fracture

We review statistical theories and numerical methods employed to consider the sample size dependence of the failure strength distribution of disordered materials. We first overview the analytical predictions of extreme value statistics and fiber bundle models and discuss their limitations. Next, we review energetic and geometric approaches to fracture size effects for specimens with a flaw. Finally, we overview the numerical simulations of lattice models and compare with theoretical models.Comment: review article 19 pages, 5 figure