Using first principles variable cell shape molecular dynamics, we predict a new structure for silica. This structure results from annealing a-quartz at pressures near a major phonon instability. The new phase is obtained by rotations of SiO4 tetrahedra producing edge-sharing SiO6 octahedra and SiO5 cuboids. This type of mechanism was proposed to account for structural transitions in silicate me...

Quartz (α-quartz), is the most common crystalline silica polymorph in nature and is the only polymorph found in significant concentrations in coal and coal ash. Since exposure to quartz is liable to cause lung diseases, it is very important to know its concentrations in coal ash and to evaluate its effects on the workers. Inhalation is the most effective route of entry for airborne particles of...

Portland cement for high-temperature geothermal applications typically includes 35 to 40 percent crystalline quartz by weight of cement (BWOC) to avoid strength retrogression, which is defined as an increase in permeability and a decrease in compressive strength. Also, because of the reactivity of Portland cement at elevated temperatures, relatively expensive cement-hydration retarders are requ...

Amorphous materials are often preferred in the pharmaceutical industry due to their enhanced dissolution rate and bioavailability. Since the amorphous state is metastable and less thermodynamically stable relative to the crystalline state, there is always the potential for unexpected crystallization during storage. Conversion of amorphous to crystalline state can be evaluated by stability studi...

The lattice dynamics of the silica polymorph α-cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational density of states are reported and the phonon eigenvectors analysed by an intensive comparison of scattering intensities. The experimentally validated calculation is u...

NWA 2700 and NWA 2977 Paired With NWA 773: NWA 2700 is a 31.7 gram stone consisting of small gabbro clasts plus regolith breccia matrix (see Figure 1). The olivine gabbro contains ~50 vol.% olivine (Fa29.3-34.7; FeO/MnO = 94), pigeonite (Fs2228.3Wo5.6-10; FeO/MnO = 52), augite (Fs13.2Wo38.5), plagioclase and minor maskelynite (An89), Ba-rich alkali feldspar (Or92An4, BaO up to 8.9 wt.%), Crspin...

The interaction of DNA with crystalline silica in buffered aqueous solutions at physiologic pH has been investigated by Fourier-transform infrared spectroscopy (FT-IR). In aqueous buffer, significant changes occur in the spectra of DNA and silica upon coincubation, suggesting that a DNA-silica complex forms as silica interacts with DNA. As compared to the spectrum of silica alone, the changes i...

Pneumoconioses determined by chronic inhalation of different kinds of silica present with peculiar clinical and histopathological features. Silicosis, caused by crystalline silica, is characterized by typical fibrous parenchymal nodules. Less defined are pneumoconioses due to amorphous silica. Aim of current experimental research on silicosis is to investigate the early events that lead to nodu...

Silica is one of the most abundant compounds found in nature. Immoderate exposure to crystalline silica has been linked to pulmonary disease and crystalline silica has been classified as a Group I carcinogen. Ultrafine (diameter <100 nm) silica particles may have different toxicological properties compared to larger particles. We evaluated the effect of ultrafine silica nanoparticles on mouse b...

An epidemiological investigation was undertaken to determine the relationship between silicosis in hardrock miners in Ontario and cumulative exposure to silica (free crystalline silica--alpha quartz) dust. This report describes the analytic method and presents the risk estimates.