On Best Proximity Point Theorems and Fixed Point Theorems for p-Cyclic Hybrid Self-Mappings in Banach Spaces

This paper relies on the study of fixed points and best proximity points of a class of so-called generalized point-dependent (K-Lambda)hybrid p-cyclic self-mappings relative to a Bregman distance Df, associated with a Gâteaux differentiable proper strictly convex function f in a smooth Banach space, where the real functions Lambda and K quantify the point-to-point hybrid and nonexpansive (or contractive) characteristics of the Bregman distance for points associated with the iterations through the cyclic self-mapping.Weak convergence results to weak cluster points are obtained for certain average sequences constructed with the iterates of the cyclic hybrid self-mappings.

Object oriented simulation of hybrid renewable energy systems focused on supervisor control

EFTA 2009

Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup

The polar headgroup of dipalmitoylphosphatidylcholine (DPPC) molecule both in gas phase and aqueous Solution is investigated by the hybrid quantum mechanical/molecular mechanical (QM/MM) method, in which the polar head of DPPC molecule and the bound water molecules are treated with density functional theory (DFT), while the apolar hydrocarbon chain of DPPC molecule is treated with MM method. It is demonstrated that the hybrid QM/MM method is both accurate and efficient to describe the conformations of DPPC headgroup. Folded structures of headgroup are found in gas phase calculations. In this work, both monohydration and polyhydration phenomena are investigated. In monohydration, different water association sites are studied. Both the hydration energy and the quantum properties of DPPC and water molecules are calculated at the DFT level of theory after geometry optimization. The binding force of monohydration is estimated by using the scan method. In polyhydration, more extended conformations are found and hydration energies in different polyhydration styles are estimated. (C) 2008 Elsevier Inc. All rights reserved.

An Atomistic-Continuum Hybrid Simulation Of Fluid Flows Over Superhydrophobic Surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper, an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces, in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths, which cannot be obtained by molecular dynamics simulation alone.

Turbulent collision of inertial particles: point-particle based, hybrid simulations and beyond

Point-particle based direct numerical simulation (PPDNS) has been a productive research tool for studying both single-particle and particle-pair statistics of inertial particles suspended in a turbulent carrier flow. Here we focus on its use in addressing particle-pair statistics relevant to the quantification of turbulent collision rate of inertial particles. PPDNS is particularly useful as the interaction of particles with small-scale (dissipative) turbulent motion of the carrier flow is mostly relevant. Furthermore, since the particle size may be much smaller than the Kolmogorov length of the background fluid turbulence, a large number of particles are needed to accumulate meaningful pair statistics. Starting from the relative simple Lagrangian tracking of so-called ghost particles, PPDNS has significantly advanced our theoretical understanding of the kinematic formulation of the turbulent geometric collision kernel by providing essential data on dynamic collision kernel, radial relative velocity, and radial distribution function. A recent extension of PPDNS is a hybrid direct numerical simulation (HDNS) approach in which the effect of local hydrodynamic interactions of particles is considered, allowing quantitative assessment of the enhancement of collision efficiency by fluid turbulence. Limitations and open issues in PPDNS and HDNS are discussed. Finally, on-going studies of turbulent collision of inertial particles using large-eddy simulations and particle- resolved simulations are briefly discussed.

High-Strength Composite Fibers: Realizing True Potential of Carbon Nanotubes in Polymer Matrix through Continuous Reticulate Architecture and Molecular Level Couplings

Carbon nanotubes have unprecedented mechanical properties as defect-free nanoscale building blocks, but their potential has not been fully realized in composite materials due to weakness at the interfaces. Here we demonstrate that through load-transfer-favored three-dimensional architecture and molecular level couplings with polymer chains, true potential of CNTs can be realized in composites as Initially envisioned. Composite fibers with reticulate nanotube architectures show order of magnitude improvement in strength compared to randomly dispersed short CNT reinforced composites reported before. The molecular level couplings between nanotubes and polymer chains results in drastic differences in the properties of thermoset and thermoplastic composite fibers, which indicate that conventional macroscopic composite theory falls to explain the overall hybrid behavior at nanoscale.

An atomistic-continuum hybrid simulation of fluid flows over superhydrophobic surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths which cannot be obtained by molecular dynamics simulation alone.

The ionic exclusion-enrichment in a hybrid micro-/nano-channel

An ionic exclusion-enrichment phenomenon has been found at the ends of a nano-channel when electric-driven fluid passes through a micro-/nano-hybrid channel [1-3]. In our experiments, the hybrid channels are fabricated with two poly-dimethysiloxane (PDMS) monoliths microchannels (100um X20um X 9mm) and a nanoporous polycarbonate nuclear track-etched (PCTE) membrane (with 50nm pores). The flows are driven under different electrical potential and the test liquids with different PH values are used. The ion depletion in the source channel is observed by the MicroPIV system. In addition, the numerical simulations about ionic exclusion-enrichment in the hybrid channel are carried out. Some results are as followed: