Universal Approach to Critical Percolation

Percolation problems appear in a large variety of different contexts ranging from the design of composite materials to vaccination strategies on community networks. The key observable for many applications is the percolation threshold. Unlike the universal critical exponents, the percolation threshold depends explicitly on the specific system properties. As a consequence, theoretical approaches to the percolation threshold are rare and generally tailored to the specific application. Yet, any percolating cluster forms a discrete network the emergence of which can be cast as a graph problem and analyzed using branching processes. We propose a general mapping of any kind of percolation problem onto a branching process which provides rigorous lower bounds of the percolation threshold. These bounds progressively tighten as we incorporate more information into the theory. We showcase our approach for different continuum problems finding accurate predictions with almost no effort. Our approach is based on first principles and does not require fitting parameters. As such it offers an important theoretical reference in a field that is dominated by simulation studies and heuristic fit functions.Comment: 8 pages, 5 figure

Anomalous Underscreening in the Restricted Primitive Model

Underscreening is a collective term for charge correlations in electrolytes decaying slower than the Debye length. Anomalous underscreening refers to phenomenology that cannot be attributed alone to steric interactions. Experiments with concentrated electrolytes and ionic fluids report anomalous underscreening which so far has not been observed in simulation. We present Molecular Dynamics simulation results exhibiting anomalous underscreening that can be connected to cluster formation. A theory which accounts for ion pairing confirms the trend. Our results challenge the classic understanding of dense electrolytes impacting the design of technologies for energy storage and conversion

Percolation of rigid fractal carbon black aggregates

We examine network formation and percolation of carbon black by means of Monte Carlo simulations and experiments. In the simulation, we model carbon black by rigid aggregates of impenetrable spheres, which we obtain by diffusion-limited aggregation. To determine the input parameters for the simulation, we experimentally characterize the micro-structure and size distribution of carbon black aggregates. We then simulate suspensions of aggregates and determine the percolation threshold as a function of the aggregate size distribution. We observe a quasi-universal relation between the percolation threshold and a weighted average radius of gyration of the aggregate ensemble. Higher order moments of the size distribution do not have an effect on the percolation threshold. We conclude further that the concentration of large carbon black aggregates has a stronger influence on the percolation threshold than the concentration of small aggregates. In the experiment, we disperse the carbon black in a polymer matrix and measure the conductivity of the composite. We successfully test the hypotheses drawn from simulation by comparing composites prepared with the same type of carbon black before and after ball milling, i.e., on changing only the distribution of aggregate sizes in the composites

Nearest-neighbor connectedness theory: A general approach to continuum percolation

We introduce a method to estimate continuum percolation thresholds and illustrate its usefulness by investigating geometric percolation of noninteracting line segments and disks in two spatial dimensions. These examples serve as models for electrical percolation of elongated and flat nanofillers in thin film composites. While the standard contact volume argument and extensions thereof in connectedness percolation theory yield accurate predictions for slender nanofillers in three dimensions, they fail to do so in two dimensions, making our test a stringent one. In fact, neither a systematic order-by-order correction to the standard argument nor invoking the connectedness version of the Percus-Yevick approximation yield significant improvements for either type of particle. Making use of simple geometric considerations, our new method predicts a percolation threshold of ρ c l 2 ≈ 5.83 for segments of length l , which is close to the ρ c l 2 ≈ 5.64 found in Monte Carlo simulations. For disks of area a we find ρ c a ≈ 1.00 , close to the Monte Carlo result of ρ c a ≈ 1.13 . We discuss the shortcomings of the conventional approaches and explain how usage of the nearest-neighbor distribution in our method bypasses those complications

Percolation of rigid fractal carbon black aggregates

We examine network formation and percolation of carbon black by means of Monte Carlo simulations and experiments. In the simulation, we model carbon black by rigid aggregates of impenetrable spheres, which we obtain by diffusion-limited aggregation. To determine the input parameters for the simulation, we experimentally characterize the micro-structure and size distribution of carbon black aggregates. We then simulate suspensions of aggregates and determine the percolation threshold as a function of the aggregate size distribution. We observe a quasi-universal relation between the percolation threshold and a weighted average radius of gyration of the aggregate ensemble. Higher order moments of the size distribution do not have an effect on the percolation threshold. We conclude further that the concentration of large carbon black aggregates has a stronger influence on the percolation threshold than the concentration of small aggregates. In the experiment, we disperse the carbon black in a polymer matrix and measure the conductivity of the composite. We successfully test the hypotheses drawn from simulation by comparing composites prepared with the same type of carbon black before and after ball milling, i.e., on changing only the distribution of aggregate sizes in the composites