Related papers: Hydrated Silicate Ionic Liquids: Ionic Liquids for…
The available sites for ions in a typical disordered ionic conductor are determined. For this purpose we devised a straightforward algorithm which via cluster analysis identifies these sites from long time ionic trajectories below the glass…
Clathrate hydrate is a naturally occurring ice-like solid which forms in water phase under suitable temperature and pressure conditions, in the presence of one or more hydrophobic molecules. It also forms inside the oil and gas pipes…
The study of the formation of molecular hydrogen on low temperature surfaces is of interest both because it allows to explore elementary steps in the heterogeneous catalysis of a simple molecule and because of the applications in…
This is a brief review of liquid scintillators, an important technology for detection of ionizing radiation. We will first review the basic mechanisms of light production in most organic liquid scintillators. For most practical detector…
Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous studies have shown that the thermodynamics of these…
High mobility and dilute two-dimensional electron systems exhibit metallic behavior down to the lowest experimental temperatures. In studies of ionic liquid gated insulating silicon, we have observed transitions to a metallic state in low…
Predicting the dissolution rates of silicate glasses in aqueous conditions is a complex task as the underlying mechanism(s) remain poorly understood and the dissolution kinetics can depend on a large number of intrinsic and extrinsic…
The liquidus temperature is an important parameter in understanding the crystalline behavior of materials and in the operation of blast furnaces. Its modeling can be carried out by linear and nonlinear methods through data, considering the…
Rheology of silicates (melts or super cooled as glasses) is one of the most important fields to mankind, as geological activity largely influences life. In this paper, unifying empirical models for the Non-Newtonian shear viscosity and the…
Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form…
Cement hydration products were studied as influenced by the hydration conditions (hydration time in liquid phase; relative humidity, RH, in gaseous phase). The formation of calcium hydroxide (portlandite, P) and its transformation to…
During the past decay many experimental configurations to improve the yield of hydrogen by electrolysis. These attempts include tests of different materials for the electrodes. This study proposes the use of {\gamma}-radiation of waste…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
We investigate the radiolysis of liquid water confined in a porous silica matrix by means of an event-by-event Monte Carlo simulation of electron penetration in this composite system. We focus on the physical and physicochemical effects…
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…
Silver iodide is one of the most potent inorganic ice nucleating particles known, a feature generally attributed to the excellent lattice match between its basal Ag-(0001) and I-(000-1) surfaces, and ice. This crystal termination, however,…
Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\bar{\rho}$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and…
We demonstrate droplet manipulation using electric signals to induce the liquid to wet or dewet on a hydrophilic conductive substrate in the air without adding layers. In this phenomenon, the contact angle changes more than 15{\deg} or…
The mixed-alkali effect on the cation dynamics in silicate glasses is analyzed via molecular dynamics simulations. Observations suggest a description of the dynamics in terms of stable sites mostly specific to one ionic species. As main…
Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent to thin film processing were calculated. We found that the…