The formation of methane-hydrate precursors at large planar water-methane interfaces has been studied using massively parallel molecular dynamics in systems of varying size from around 10 000 to almost 7 x 10(6) molecules. This process took two distinct steps. First, the concentration of solvated methane clusters increases just inside the aqueous domain via slow diffusion from the methane-water interface, forming "clusters" of solvated methane molecules.

Magnetoencephalopgraphy (MEG) is a non-invasive functional imaging modality for mapping cerebral electromagnetic activity from measurements of the weak magnetic field that it generates. It is well known that the MEG inverse problem, i.e. the problem of identifying electric currents from the induced magnetic fields, is a severely underdetermined problem and, without complementary prior information, no unique solution can be found.

The dynamics of inertial particles in turbulence is modelled and investigated by means of direct numerical simulation of an axisymmetrically expanding homogeneous turbulent strained flow. This flow can mimic the dynamics of particles close to stagnation points. The influence of mean straining flow is explored by varying the dimensionless strain rate parameter Sk(0)/epsilon(0) from 0.2 to 20, where S is the mean strain rate, k(0) and epsilon(0) are the turbulent kinetic energy and energy dissipation rate at the onset of straining.

We analyze the dynamics of small particles vertically confined, by means of a linear restoring force, to move within a horizontal fluid slab in a three-dimensional (3D) homogeneous isotropic turbulent velocity field. The model that we introduce and study is possibly the simplest description for the dynamics of small aquatic organisms that, due to swimming, active regulation of their buoyancy, or any other mechanism, maintain themselves in a shallow horizontal layer below the free surface of oceans or lakes.

The nucleation mechanisms of methane hydrates are studied using well-tempered metadynamics and restrained molecular dynamics. The collective variables we used to follow the process are the methane-methane and methane-water coordination numbers, from which we computed the corresponding Landau free energy surface. This surface is characterized by two minima, corresponding to the two-phase methane bubble/water solution and clathrate crystal, and a transition state.

Introduction: The brain is a connected network, requiring complex-system measures to describe its organization principles [1,2]. Here, we aim at testing whether the normalized compression distance (NCD) [3] is a suitable quantifier of the functional connectivity between cortical regions. This new measure estimates the information shared by two signals comparing the compression length of one signal given the other, without requiring any representation of the single in harmonics or selecting a specific time window where to compare the two signals.

PDE models for network flows are used in a number of different applications, including modeling of water channel networks. While the theory and first-order numerics are well developed, there is a lack of high-order schemes. We propose a Runge-Kutta discontinu- ous Galerkin method as an efficient, effective and compact numerical approach for numerical simulations of water flow in open canals. Our numerical tests show the advantages of RKDG over first-order schemes.

We formulate a smoothed-particle hydrodynamics numerical method, traditionally used for the Euler equations for fluid dynamics in the context of astrophysical simulations, to solve the nonlinear Schrodinger equation in the Madelung formulation. The probability density of the wave function is discretized into moving particles, whose properties are smoothed by a kernel function. The traditional fluid pressure is replaced by a quantum pressure tensor, for which a robust discretization is found.

Breakup of small aggregates in fully developed turbulence is studied by means of direct numerical simulations in a series of typical bounded and unbounded flow configurations, such as a turbulent channel flow, a developing boundary layer and homogeneous isotropic turbulence. The simplest criterion for breakup is adopted, whereby aggregate breakup occurs when the local hydrodynamic stress "1=2, with " being the energy dissipation at the position of the aggregate, overcomes a given threshold cr, which is characteristic for a given type of aggregate.