Related papers: Modelling surface restructuring by slow highly cha…
Periodic supercell models of electric double layers formed at the interface between a charged surface and an electrolyte are subject to serious finite size errors and require certain adjustments in the treatment of the long-range…
Experimental microstylolites have been observed at stressed contacts between quartz grains loaded for several weeks in the presence of an aqueous silica solution, at 350 8C and 50 MPa of differential stress. Stereoscopic analysis of pairs…
This article describes our hypothesis on how transmutations may be induced by solid state effects in a crystalline lattice. We discuss the chemical reaction case, our extension to the nuclear binding case, and a tri-body model of a heavy…
The properties of organically modified clay minerals determine essentially the quality of polymer-clay nanocomposites. We investigate alkylammonium-micas with different alkyl chain length by molecular dynamics simulation as homogeneous…
The electric double layer (EDL) formed around charged nanostructures at the liquid-solid interface determines their electrochemical activity and influences their electrical and optical polarizability. We experimentally demonstrate that…
The development of advanced electrochemical devices for energy conversion and storage requires fine tuning of electrode reactions, which can be accomplished by altering the electrode/solution interface structure. Particularly, in case of an…
Two dimensional (2D) layered transition-metal-based tellurides (chalcogens) are known to harness their surface atoms characteristics to enhance topographical activities for energy conversion, storage, and magnetic applications. High surface…
We report the existence of topologically charged nodal surface, a band degeneracy on a two-dimensional surface in momentum space that is topologically charged. We develop a Hamiltonian for such charged nodal surface, and show that such a…
CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behavior under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity,…
Despite numerous experimental and theoretical investigations of the mechanical behavior of high-capacity Si and Ge Li-ion battery anodes, our basic understanding of swelling-driven fracture in these materials remains limited. Existing…
Using non-equilibrium molecular dynamics simulations and a coarse grained model of ionic liquids, we have investigated the impact that the shape and the intramolecular charge distribution of the ions have on the electrotuneable friction…
Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The comparison of two types of surfaces, a melt-formed surface…
Fly ash (FA), as an industry by-product has attracted much attention as a suitable supplier of silicon (Si) and aluminum (Al) in preparation of geopolymer for the sustainable environment and material science applications. Here, the effect…
Surface stresses, in nano-sized anode particles undergoing chemomechanical interactions, have a relaxing effect on the diffusion-induced stresses thus improving the mechanical endurance of the particles, whereas, the compressive effect of…
Two-electron one-photon transitions have been successfully observed for the Ne projectile and Al target at low energy regime. Experimental energy values of two-electron one-photon transitions are compared with previously reported…
Ti$_{1-x-y}$Al$_{x}$Zr$_{y}$N cubic alloys within the 25-70\% Al composition range have high age-hardening capabilities due to metastable phase transition pathways at high temperatures. They are thus ideal candidates for ultra-hard…
In this paper evolution of silicon surface topography, under low energy ion bombardment, is investigated at higher oblique incident angles in the range of 63\degree-83\degree. Si(100) substrates were exposed to 500 eV argon ions. Different…
Two-dimensional electron system on the liquid helium surface is one of the leading candidates for constructing large analog quantum computers (P.M. Platzman and M.I. Dykman, Science 284, 1967 (1999)). Similar electron systems on the…
This paper analyzes how the ferroelectric properties of cubic-like BiFeO$_3$ nanoparticles are affected by different terminations and charge distributions at the surface using ab-initio-based atomistic computational experiments. Our…
The degradation of the hemi-wicking property of superhydrophilic high-energy surfaces due to contaminant adsorption from the ambient atmosphere is well documented. This degradation compromises the performance of such surfaces, thus…