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Prediction of Cyclic O Molecules Stabilized by Helium under Pressure.
Adv Sci (Weinh)
January 2025
Center for High-Pressure Science, State Key Laboratory of Metastable Materials Science and Technology, School of Science, Yanshan University, Qinhuangdao, 066004, China.
Oxygen usually exists in the form of diatomic molecules at ambient conditions. At high pressure, it undergoes a series of phase transitions from diatomic O to O cluster and ultimately dissociates into a polymeric O spiral chain structure. Intriguingly, the commonly found cyclic hexameric molecules in other group VIA elements (e.
View Article and Find Full Text PDFPressure-driven phase transformations on MgCa(CO) huntite carbonate.
Phys Chem Chem Phys
January 2025
CELLS-ALBA Synchrotron Light Facility, Cerdanyola del Vallés, 08290, Barcelona, Spain.
Magnesium and calcium carbonate minerals are significant reservoirs of Earth's carbon and understanding their behavior under different conditions is crucial for elucidating the mechanisms of deep carbon storage. Huntite, MgCa(CO), is one of the two stable calcium magnesium carbonate phases, together with dolomite. The distinctive cation coordination environment of Ca atoms compared to calcite-type and dolomite structures makes huntite a comparatively less dense phase.
View Article and Find Full Text PDFStudy on influencing factors and prevention measures of coal-rock-gas compound dynamic disaster in deep coal mine mining.
Sci Rep
January 2025
College of Resources, Shandong University of Science and Technology, Taian, 271019, Shandong, China.
Because coal seam mining with high geostress and high gas pressure is prone to coal-rock-gas compound dynamic disasters, a disaster energy equation considering the influence of roof elastic energy is established, and a disaster energy criterion considering the influence of roof elastic energy is derived and introduced into COMSOL software to conduct numerical simulations of coal seam mining under different geostress and gas pressures. The study revealed that the increase of ground stress reduces the gas pressure required for disaster occurrence. When the gas pressure reaches a certain value, the disaster will occur even if the ground stress is very small.
View Article and Find Full Text PDFDielectric properties depend on the crystal structure of perovskite-type RbTaO synthesized at high pressure.
Dalton Trans
January 2025
Graduate School of Engineering and Science, Shibaura Institute of Technology, 307 Fukasaku, Minuma, Saitama, 337-8570, Japan.
We successfully synthesized perovskite-type RbTaO at 1173 K under 4 GPa. RbTaO crystalized as a cubic system (3̄ space group (SG), = 4.04108(3) Å) at 300 K in contrast to the orthorhombic perovskite-type RbNbO prepared under the same conditions.
View Article and Find Full Text PDFAtom's Dynamics and Crystal Structure: An Ordinal Pattern Method.
J Phys Chem A
January 2025
Institute of Materials Engineering, University of Silesia in Katowice, 75 Pułku Piechoty 1A, 41-500 Chorzów, Poland.
The ubiquitous nature of thermal fluctuations poses a limitation on the identification of crystal structures. However, the trajectory of an atom carries a fingerprint of its surroundings. This rationalizes the search for a method that can determine the local atomic configuration via the analysis of the movement of an individual atom.
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