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The effect of flexibility on the hydrodynamic loads and on the flow structures generated on a rectangular foil when oscillating in pitch has been studied. Hydrodynamic loads were measured with a 6-axes balance, and the flow structures were…

Ionic transport in nanopores is a fundamentally and technologically important problem in view of its occurrence in biological processes and its impact on novel DNA sequencing applications. Using microscopic calculations, here we show that…

We consider the effect of uniaxial strain on ballistic transport in graphene, across single and multiple tunneling barriers. Specifically, we show that applied strain not only shifts the position of the Dirac points in reciprocal space, but…

We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across…

The structure of thin terminated Bi(1 1 1) films of approximately 1 nm thickness is investigated from first principles. Our density functional theory calculations show that covalent bonds to the surface can change the orientation of the…

Measurements of the surface diffusivity of colloidal spheres translating along a vapor/liquid inter- face show an unexpected decrease in diffusivity, or increase in surface drag (from the Stokes-Einstein relation) when the particles situate…

Confinement strongly influences electrochemical systems, where structural control has enabled advances in nanofluidics, sensing, and energy storage. In electric double-layer capacitors (EDLCs), or supercapacitors, energy density is governed…

Using Monte Carlo simulation, we studied the electrical conductance of two-dimensional films. The films consisted of a poorly conductive host matrix and highly conductive rodlike fillers (rods). The rods were of various lengths, obeying a…

Molecular Dynamics simulations of water molecules in nanometre sized cylindrical channels connecting two reservoirs show that the permeation of water is very sensitive to the channel radius and to electric polarization of the embedding…

In the field of nanoconfined fluids, there are striking examples of deformation/transport coupling in which mechanical solicitation of the confining host and dynamics of the confined fluid impact each other. While this intriguing behavior…

We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…

Distributed strain sensing using a straight optical-fibre cable suffers from a decreased strain senstivity away from the fibre's axis. In this study, the directional senstivity is enhanced via sinusoidally shaping the fibre that is embedded…

We report first-principle atomistic simulations on the effect of local strain gradients on the nanoscale domain morphology of free-standing PbTiO$_3$ ultrathin films. First, the ferroelectric properties of free films at the atomic level are…

Various experimental settings that involve drying solutions or suspensions of nanoparticles -- often called nanofluids -- have recently been used to produce structured nanoparticle layers. In addition to the formation of polygonal networks…

The conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most researched materials. The 1980s bipolaron model remains the dominant interpretation of the electronic structure of PEDOT. Recent theoretical studies have…

This simulation study investigates the dependence of the structure of dry Nafion$^{\tiny\textregistered}$-like ionomers on the electrostatic interactions between the components of the molecules. In order to speed equilibration, a procedure…

In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular…

The transport of water and protons in the cathode catalyst layer (CCL) of proton exchange membrane (PEM) fuel cells is critical for cell performance, but the underlying mechanism is still unclear. Herein, the ionomer structure and the…

Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been…

Materials with J-shaped stress-strain behavior under uniaxial stretching, where strength increases as deformation progresses, have been developed through various materials designs. On the other hand, polymer materials that progressively…