Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes.

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics simulations of explicit liquid EC/graphite interfaces are conducted to study these electrochemical reactions. We show that carbon edge terminations are crucial at this stage, and that achievable experimental conditions can lead to surprisingly fast EC breakdown mechanisms, yielding decomposition products seen in experiments but not previously predicted.

Do dynamical systems follow Benford's law?

Data compiled from a variety of sources follow Benford's law, which gives a monotonically decreasing distribution of the first digit (1 through 9). We examine the frequency of the first digit of the coordinates of the trajectories generated by some common dynamical systems. One-dimensional cellular automata fulfill the expectation that the frequency of the first digit is uniform. The molecular dynamics of fluids, on the other hand, provides trajectories that follow Benford's law. Finally, three chaotic systems are considered: Lorenz, Henon, and Rossler. The Lorenz system generates trajectories that follow Benford's law. The Henon system generates trajectories that resemble neither the uniform distribution nor Benford's law. Finally, the Rossler system generates trajectories that follow the uniform distribution for some parameters choices, and Benford's law for others. (c) 2000 American Institute of Physics.