Related papers: Validation of a model for an electro-active polyme…
Surfaces of ionic solids interacting with an ionic solution can build up charge by exchange of ions. The surface charge is compensated by a strip of excess charge at the border of the electrolyte forming an electric double layer. These…
Graphite is a ubiquitous electrode material with particular promise for use in e.g., energy storage and desalination devices, but very little is known about the properties of the graphite-electrolyte double layer at technologically relevant…
An independent control of the flux and energy of ions impacting on an object immersed in a plasma is often desirable for many industrial processes such as microelectronics manufacturing. We demonstrate that a simultaneous control of these…
A self-consistent 1-D model was developed to study the effect of the electron energy distribution function (EEDF) on power deposition and plasma density profiles in a planar inductively coupled plasma (ICP) in the non-local regime (pressure…
Though offering unprecedented pathways to molecular dynamics (MD) simulations of technologically-relevant materials and conditions, machine-learning interatomic potentials (MLIPs) are typically trained for ``simple'' materials and…
Graphene is a very promising material for nanoelectronics applications due to its unique and remarkable electronic and thermal properties. However, when deposited on metallic electrodes the overall thermal conductivity is significantly…
In this paper, we present a molecular theory analysis of ions and potential distribution, degree of ionization of polyelectrolyte (PE) brushes, velocity profile, volumetric flow rate, ionic selectivity, ionic conduction and advection by…
Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…
In situ electrochemical dilatometry was used to study, for the first time, the expansion behavior of a porous carbon electrode in a pure ionic liquid, 1-ethyl-3-methyl-imidazolium-tetrafluoroborate. For a single electrode, an applied…
A future plasma based linear collider has the potential to reach unprecedented energies and transform our understanding of high energy physics. The extremely dense beams in such a device would cause the plasma ions to fall toward the axis.…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
A large electric field is typically present in anodic or passive oxide films. Stresses induced by such a large electric field are critical in understanding the breakdown mechanism of thin oxide films and improving their corrosion…
We compare the predicted phase behaviour of lead (Pb) using three different interatomic potential models, including an embedded atom method (EAM), a modified embedded atom method (MEAM), and a neural network-based machine-learned model in…
The quasistatic behavior of a simple 2D model of a cohesive powder under isotropic loads is investigated by Discrete Element simulations. The loose packing states, as studied in a previous paper, undergo important structural changes under…
Presently clearing electrodes are being considered as a possible cure of e-cloud driven problems in existing and future colliders. 'Invisible' electrodes, made of a thin highly resistive layer pasted on a dielectric plate, have been…
The pressure and temperature dependency of the electrical conductivity of poly(vinyl alcohol)/poly(vinyl pyrrolidone) (1/1, w/w) and poly(vinyl alcohol) and composites with dispersed nano-graphene platelets were studied. Above the critical…
A novel technique to deposit metals on highly conjugated polyaniline films has been developed. In general, electrodeposition of metals, having low reduction potential, from aqueous solution, is difficult due to disruptive effect of hydrogen…
Mechanically interlocked polymers (MIPs) are a novel class of polymer structures in which the components are connected by mechanical bonds instead of covalent bonds. We measure the single-molecule rheological properties of polyrotaxanes,…
Machine-learned interatomic potentials (MLIPs) promise to provide near density-functional theory accuracy at a fraction of the computational cost, offering a transformative route toward genuinely predictive chemistry. Yet their predictive…
We report on the electrostatic complexation between oppositely charged polymers and inorganic nanoparticles investigated by static and dynamical light scattering. The nanoparticles put under scrutiny were citrate-coated nanocrystals of…