Related papers: Gas transport mechanisms through molecularly thin …
Moisture-capturing hydrogels have emerged as attractive sorbent materials capable of converting ambient humidity into liquid water. Recent works have demonstrated exceptional water capture capabilities of hydrogels, while simultaneously,…
We compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potential energy surface (PES) is derived on the fly from the…
A quantitative structural investigation is reported, aimed at resolving the issue of whether substrate adatoms are incorporated into the monolayers formed by strong molecular electron acceptors deposited onto metallic electrodes. A…
In recent years, research and development in nanoscale science and technology have grown significantly, with electrical transport playing a key role. A natural challenge for its description is to shed light on anomalous behaviours observed…
Low dimensional quantum fluids, where one can probe the effects of enhanced thermal and quantum fluctuations on macroscopic quantum wavefunctions, can be experimentally realized through transverse physical confinement of superfluid helium…
Hydrogen, while a promising sustainable energy carrier, presents challenges such as the embrittlement of materials due to its ability to penetrate and weaken their crystal structures. Here we investigate Fe4N nitride layers, formed on iron…
Gas flow in shale is associated with both organic matter (OM) and inorganic matter (IOM) which contain nanopores ranging in size from a few to hundreds of nanometers. In addition to the noncontinuum effect which leads to an apparent…
The energy balance of a plasma holds fundamental information not only about basic plasma physics, but it is also important for tailoring plasmas to specific applications. Especially RF-driven atmospheric pressure plasma jets (APPJs)…
The main goal of this analysis is to present a new method to estimate the physical properties of diffuse cloud of atomic hydrogen observed at high Galactic latitude. This method, based on a comparison of the observations with fractional…
We present a new concept of scanning thermal nanoprobe that utilizes the extreme thermal conductance of a carbon nanotube (CNT) to channel heat between the probe and the sample. The integration of CNT in scanning thermal microscopy (SThM)…
Graphene nanochannels are relevant for their possible applications, as in water purification, and for the challenge of understanding how they change the properties of confined liquids. Here, we use all-atom molecular dynamics simulations to…
Molecular dynamics simulations are performed to investigate the water permeation across the single-walled carbon nanotube (SWCNT) with the radial breathing mode (RBM) vibration. It is found that the RBM can play a significant role in…
Water management in a hydrogen polymer electrolyte membrane (PEM) fuel cell is critical for performance. The impact of thermal conductivity and water vapor diffusion coefficients in a gas diffusion layer (GDL) has been studied by a…
The non-equilibrium transport of inhomogeneous and dense gases highly confined by surface is encountered in many engineering applications. For example, in the shale gas production process, methane is extracted from ultra-tight pores under…
Under ambient humidity, water spontaneously condenses in pores only a few nanometers in size, making nanoscale capillarity central to numerous natural phenomena and technological applications. At these dimensions, water may no longer be…
Pore network modelling has traditionally been used to study displacement processes in idealized porous media related to geological flows, with applications ranging from groundwater hydrology to enhanced oil recovery. Very recently, pore…
Surfaces (interfaces) dictate many physical and chemical properties of solid materials and adsorbates considerably affect these properties. Nitrogen molecules, which are the most abundant constituent in ambient air, are considered to be…
The thermal conductivity of water features a maximum (TCM) as a function of temperature at constant pressure. By examining why molecular force fields succeed or fail to reproduce the maximum and interpreting our results using the Bridgman…
Adsorption and separation properties of gyroidal nanoporous carbons (GNCs) - a new class of exotic nanocarbon materials are studied for the first time using hyper parallel tempering Monte Carlo Simulation technique. Porous structure of GNC…
%context More gas is inferred to be present in molecular cloud complexes than can be accounted for by HI and CO emission, a phenomenon known as dark neutral medium (DNM) or CO-dark gas for the molecules. %aims To see if molecular gas can be…