Chemical bonding in sulfide minerals

DJ Vaughan, KM Rosso - Reviews in mineralogy and …, 2006 - pubs.geoscienceworld.org
An understanding of chemical bonding and electronic structure in sulfide minerals is central
to any attempt at understanding their crystal structures, stabilities and physical properties. It …

Deformation of polycrystalline MgO at pressures of the lower mantle

S Merkel, HR Wenk, J Shu, G Shen… - Journal of …, 2002 - Wiley Online Library
Room temperature investigations on the shear strength, elastic moduli, elastic anisotropy,
and deformation mechanisms of MgO (periclase) are performed in situ up to pressures of 47 …

Ab initio simulation of water interaction with the (100) surface of pyrite

A Stirling, M Bernasconi, M Parrinello - The Journal of chemical …, 2003 - pubs.aip.org
Due to its abundance and characteristic bulk and surface properties, pyrite (FeS2) plays a
role in numerous geochemical, environmental, and technological processes. For example …

High-pressure Raman spectroscopic studies of FeS2 pyrite

AK Kleppe, AP Jephcoat - Mineralogical Magazine, 2004 - cambridge.org
We report micro-Raman spectroscopic studies of FeS2 pyrite in the diamond-anvil cell under
hydrostatic and non-hydrostatic conditions to 55 GPa at room temperature. Four out of five …

In Situ Studies of Iron under Pressure: New Windows on the Earth's Core

RJ Hemley, HK Mao - International Geology Review, 2001 - Taylor & Francis
Experiments on iron with recently developed high-pressure techniques are providing new
insights into the nature of the Earth's core. In situ high PT synchrotron x-ray diffraction …

Phase Stability and Thermoelectric Properties of the Mineral FeS2: An Ab Initio Study

VK Gudelli, V Kanchana… - The Journal of …, 2013 - ACS Publications
First-principles calculations were carried out to study the phase stability and thermoelectric
properties of the naturally occurring marcasite phase of FeS2 at ambient conditions as well …

Effect of Mineralogy, Pore Geometry, and Fluid Type on the Elastic Properties of the Bakken Formation

ML Malki, V Rasouli, MR Saberi, I Mellal… - ARMA US Rock …, 2022 - onepetro.org
The velocity-porosity relationship depends on many factors such as grain shape, sorting,
chemical composition, and diagenesis processes. Fluids always occupy the pore space and …

Effect of CO2 on Mineralogy, Fluid, and Elastic Properties in Middle Bakken Formation Using Rock Physics Modeling

ML Malki, V Rasouli, MR Saberi, B Sennaoui… - ARMA US Rock …, 2022 - onepetro.org
The Bakken Petroleum System in the Williston Basin consists of three main members: Upper
Bakken Shale (UB), Middle Bakken (MB), and Lower Bakken Shale (LB). The Middle Bakken …

Stability, structure, and electronic properties of the pyrite/arsenopyrite solid–solid interface–A DFT study

EC Dos Santos, MP Lourenço… - The Journal of …, 2017 - ACS Publications
Pyrite is the most common sulfide in the Earth. In the presence of arsenopyrite its oxidation is
delayed, and instead, the arsenopyrite increases its oxidation rate, releasing As (III) and As …

Deformation behavior of high-entropy oxide (Mg, Co, Ni, Cu, Zn) O under extreme compression

B Yue, W Dai, X Zhang, H Zhang, W Zhong, B Liu… - Scripta Materialia, 2022 - Elsevier
Following the discovery of high-entropy alloys, high-entropy oxides have gained
considerable interest due to their unconventional structural characteristics and versatile …