Related papers: Influence of Ionic strength on calcium carbonate (…
This study experimentally investigates the influence of CaCO3 polymorphs on the thermal conductivity (TC) of biocement and biocemented sand. Calcite-rich biocements consistently showed higher TC than vaterite-dominated ones, regardless of…
Incorporation of guest additives within inorganic single crystals offers a unique strategy for creating nanocomposites with tailored properties. While anionic additives have been widely used to control the properties of crystals, their…
When calcium titanate crystals are grown from stoichiometric melts, they crystallize in the cubic perovskite structure. Upon cooling to room temperature they undergo subsequent phase transitions to tetragonal and orthorhombic modifications.…
Chemical transformations, such as ion exchange, are commonly employed to modify nanocrystal compositions. Yet the mechanisms of these transformations, which often operate far from equilibrium and entail mixing diverse chemical species,…
Effects of doping on morphology of iron carbide (cementite) nanowires have been explored by first principle electronic structure calculations. We examined the role of several realistic impurities (Si, Mn, V, P and S) in the formation…
Solid solution effects on the strength of the finest nanocrystalline grain sizes are studied with molecular dynamics simulations of different Cu-based alloys. We find evidence of both solid solution strengthening and softening, with trends…
Optical ceramics of yttrium aluminum garnet (Y3-xCaxAl4.95Cr0.05O12) doped with 0.1 at.% of chromium ions and 0.5, 0.8, and 1.2 at.% of calcium ions were prepared by reactive sintering in vacuum at 1750 degrees C. The influence of SiO2 and…
Ion specificity and related Hofmeister effects, ubiquitous in aqueous systems, can have spectacular consequences in hydrated clays, where ion-specific nanoscale surface forces can determine large scale cohesive, swelling and shrinkage…
The alkali metal ions in aqueous electrolyte solutions have strong influence on the surrounding network structure of water formed through hydrogen bonds. The extent of ionic perturbation to the structure of water depends on the nature of…
From nanoscale devices including sensors, electronics, or biocompatible coatings to macroscale structural, automotive or aerospace components, fundamental understanding of plasticity and fracture can guide the realization of materials that…
The process of crystallization is often understood in terms of the fundamental microstructural elements of the crystallite being formed, such as surface orientation or the presence of defects. Considerably less is known about the role of…
On the basis of ab-initio simulations, the value of strength of interatomic bonds in one-, two- and three-dimensional carbon crystals is obtained. It is shown that decreasing in dimensionality of crystal gives rise to nearly linear increase…
SiC polytypes have been studied for decades, both experimentally and with atomistic simulations, yet no consensus has been reached on the factors that determine their stability and growth. Proposed governing factors are…
Calcium aluminate cement (CAC), calcium carbonate (CaCO$_3$), calcium hydroxide [Ca(OH)$_2$] and calcium oxide (CaO) were investigated in alumina-based macroporous compositions for $\textit{in situ}$ formation of hibonite (also known as…
In the last decades severe plastic deformation techniques have gained increasing interest as they allow the production of bulk nanostructured materials with superior mechanical and functional properties. However, because of mechanically…
Methyl-ammonium lead iodide perovskite crystallizes in different structures depending on the temperature: orthorhombic, tetragonal and cubic. An important point to be considered is the effect of the microscopic properties of the different…
Calcium carbonate plays a crucial role in the global carbon cycle, and its phase diagram has always been of significant scientific interest. In this study, we used molecular dynamics (MD) to investigate several structural phase transitions…
Interfaces between aqueous electrolytes and nanoporous carbons are involved in a number of technological applications such as energy storage and capacitive deionization. The disordered nature of the carbon materials makes it challenging to…
pH of a solution is the ratio of H+/OH- ions. The relative ratio of these charges may affect forming bonds during a hydrothermal synthesis by influencing electronic clouds of participant ions, which can modify the structure and hence…
Calcium oxalate crystals are the most common biominerals found in plants. They also make their presence known as painful kidney stones in humans and animals. Their function in plants is extraordinarily versatile and encompasses calcium…