Oxidation and magnetic states of chalcopyrite CuFeS2: a first principles calculation

The ground state band structure, magnetic moments, charges and population numbers of electronic shells of Cu and Fe atoms have been calculated for chalcopyrite CuFeS2 using density functional theory. The comparison between our calculation results and experimental data (X ray photoemission, X ray absorption and neutron diffraction spectroscopy) has been made. Our calculations predict a formal oxidation state for chalcopyrite as Cu1+Fe3+S. However, the assignment of formal valence state to transition metal atoms appears to be oversimplified. It is anticipated that the valence state can be confirmed experimentally by nuclear magnetic and nuclear quadrupole resonance and Mössbauer spectroscopy methods

Pilot study of the use of augmented reality (AR) in rock mechanics

Abstract Augmented Reality (AR) is a relatively new and exciting technology that provides a real-world view with additional computer-generated enhancements. This paper presents the results from a pilot study on how AR can be used in rock mechanics and introduces cases linked to the use of AR in fields relevant for rock mechanics. To capture the need from the industry, a workshop was arranged and complemented with open-ended qualitative interviews. Nearly 60 people responded and identified several items as being important information to enhance the real-world view: underground excavations, geological information, geomechanical model, rock support and reinforcement, results from analysis, and measurements. Almost all respondents wanted to use AR for visualization of weak zones and structures. Using AR as a communication tool and for navigation and safety aspects was also highlighted. However, the vision is to visualize real-time analysis results in the field underground and to be able to do real-time adjustments of the design. Future tunnel inspections were suggested to be more strategic. The most difficult issue to solve at the moment is localization and positioning for underground excavations. The identified low-hanging fruit for near-future studies is, therefore, visualization for rock slopes.</jats:p