Densification of sodium and magnesium aluminosilicate glasses at ambient temperature: structural investigations by solid-state nuclear magnetic resonance and molecular dynamics simulations.

Sodium and magnesium aluminosilicate glasses with compositions 20NaO-20AlO-60SiO (NAS) and 20MgO-20AlO-60SiO (MAS) were subjected to a 12 and 25 GPa compression and decompression at room temperature, resulting in density increases from 3.7% to 5.3% (NAS) and from 8.

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.

The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. Since the first release of the OPTIMADE specification (v1.0), the API has undergone significant development, leading to the v1.

Structural Aspects of Ambient-Temperature Densification of Highly Crack-Resistant Borosilicate and Aluminoborosilicate Glasses: Two Case Studies Examined by Solid-State NMR.

The structural aspects of ambient-temperature densification via pressurization at 25 GPa were studied by solid-state NMR for two case studies: An alkaline earth boroaluminosilicate glass with the composition 6CaO-3SrO-1BaO-10AlO-10BO-70SiO (labeled SAB) and a sodium magnesium borosilicate glass with the composition 10NaO-10MgO-20BO-60SiO (labeled MNBS). For SAB glass, cold pressurization results in significant increases in the average coordination numbers of both boron and aluminum, in line with previous results found in hot-compressed alkali aluminoborosilicate glasses. In addition, Al/B dipolar recoupling experiments reveal a significant decrease in the B/Al dipolar interaction strength upon pressurization, suggesting that the higher-coordinated boron and aluminum species experience weaker magnetic interactions.

Triclinic LaZnP with P, P, and P units: a combined study by P solid-state NMR spectroscopy and single crystal X-ray diffraction.

The ternary polyphosphide LaZnP was synthesized from the elements by using a salt flux or a ceramic method in sealed quartz ampoules. The obtained samples were investigated by X-ray powder and single crystal diffraction: own type, 1̄, = 775.33(13), = 827.

Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery.

The need for improved functionalities in extreme environments is fuelling interest in high-entropy ceramics. Except for the computational discovery of high-entropy carbides, performed with the entropy-forming-ability descriptor, most innovation has been slowly driven by experimental means. Hence, advancement in the field needs more theoretical contributions.