A hydro-kinetic scheme for the dynamics of hydrogen bonds in water-like fluids

A hydro-kinetic scheme for water-like fluids, based on a lattice version of the Boltzmann equation, is presented and applied to the popular TIP3P model of liquid water. By proceeding in much larger steps than molecular dynamics, the scheme proves to be very effective in attaining global minima of classical pair potentials with directional and radial interactions, as confirmed by further simulations using the three-dimensional Ben-Naim water potential.

Numerical comparison between different Lie-group methods for solving linear oscillatory ODEs

In this paper we deal with high oscillatory systems and numerical methods for the approximation of their solutions. Some classical schemes developed in the literature are recalled and a recent approach based on the expression of the oscillatory solution by means of the exponential map is considered. Moreover we introduce a new method based on the Cayley map and provide some numerical tests in order to compare the different approaches

Merging GPS and Atmospherically Corrected InSAR Data to Map 3-D Terrain Displacement Velocity

A method to derive accurate spatially dense maps of 3-D terrain displacement velocity is presented. It is based on the merging of terrain displacement velocities estimated by time series of interferometric synthetic aperture radar (InSAR) data acquired along ascending and descending orbits and repeated GPS measurements. The method uses selected persistent scatterers (PSs) and GPS measurements of the horizontal velocity. An important step of the proposed method is the mitigation of the impact of atmospheric phase delay in InSAR data.

A Derivative-Free Riemannian Powell's Method, Minimizing Hartley-Entropy-Based ICA Contrast

Even though the Hartley-entropy-based contrast function guarantees an unmixing local minimum, the reported nonsmooth optimization techniques that minimize this nondifferentiable function encounter computational bottlenecks. Toward this, Powell's derivative-free optimization method has been extended to a Riemannian manifold, namely, oblique manifold, for the recovery of quasi-correlated sources by minimizing this contrast function.

Numerical simulation of conformational variability in biopolymer translocation through wide nanopores

Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular motion to a mesoscopic fluid solvent. Thousands of events of long polymers (up to 8000 monomers) are monitored as they pass through nanopores. Comparison between the different pore sizes shows that wide pores can host a larger number of multiple biopolymer segments, as compared to smaller pores.

Multi-dimensional Modeling of Combustion in Compression Ignition Engines Operating with Variable Charge Premixing Levels

Premixed combustion modes in compression ignition engines are studied as a promising solution to meet fuel economy and increasingly stringent emissions regulations. Nevertheless, PCCI combustion systems are not yet consolidated enough for practical applications. The high complexity of such combustion systems in terms of both air-fuel charge preparation and combustion process control requires the employment of robust and reliable numerical tools to provide adequate comprehension of the phenomena.

Law of the wall in an unstably stratified turbulent channel flow

We perform direct numerical simulations of an unstably stratified turbulent channel flow to address the effects of buoyancy on the boundary layer dynamics and mean field quantities. We systematically span a range of parameters in the space of friction Reynolds number (Re<inf>?</inf>)and Rayleigh number (Ra). Our focus is on deviations from the logarithmic law of the wall due to buoyant motion. The effects of convection in the relevant ranges are discussed, providing measurements of mean profiles of velocity, temperature and Reynolds stresses as well as of the friction coefficient.

Immersed Boundary - Thermal Lattice Boltzmann Methods for Non-Newtonian Flows Over a Heated Cylinder: A Comparative Study

In this study, we compare different diffuse and sharp interface schemes of direct-forcing immersed boundary - thermal lattice Boltzmann method (IB-TLBM) for non-Newtonian flow over a heated circular cylinder. Both effects of the discrete lattice and the body force on the momentum and energy equations are considered, by applying the split-forcing Lattice Boltzmann equations. A new technique based on predetermined parameters of direct forcing IB-TLBM is presented for computing the Nusselt number.