First-principles study of lithium aluminosilicate glass scintillators.

Radiation sensors are an important enabling technology in several fields, such as medicine, scientific research, energy, defence, meteorology, and homeland security. Glass-based scintillators have been in use for more than 50 years and offer many benefits, including their ability to respond to different types of radiation, and to be readily formed into various shapes. There is, however, the prospect to develop new and improved glass scintillators, with low self-absorption, low refractive indices, and high radiative recombination rates.

High-Entropy Alloys for Advanced Nuclear Applications.

The expanded compositional freedom afforded by high-entropy alloys (HEAs) represents a unique opportunity for the design of alloys for advanced nuclear applications, in particular for applications where current engineering alloys fall short. This review assesses the work done to date in the field of HEAs for nuclear applications, provides critical insight into the conclusions drawn, and highlights possibilities and challenges for future study. It is found that our understanding of the irradiation responses of HEAs remains in its infancy, and much work is needed in order for our knowledge of any single HEA system to match our understanding of conventional alloys such as austenitic steels.

Stoichiometry deviation in amorphous zirconium dioxide.

Amorphous zirconia (a-ZrO) has been simulated using a synergistic combination of state-of-the-art methods: employing reverse Monte-Carlo, molecular dynamics and density functional theory together. This combination has enabled the complex chemistry of the amorphous system to be efficiently investigated. Notably, the a-ZrO system was observed to accommodate excess oxygen readily - through the formation of neutral peroxide (O ) defects - a result that has implications not only in the a-ZrO system, but also in other systems employing network formers, intermediates and modifiers.

Synthesis and DFT investigation of new bismuth-containing MAX phases.

The Mn + 1AXn phases (M = early transition metal; A = group A element and X = C and N) are materials exhibiting many important metallic and ceramic properties. In the present study powder processing experiments and density functional theory calculations are employed in parallel to examine formation of Zr2(Al1-xBix)C (0 ≤ x ≤ 1). Here we show that Zr2(Al1-xBix)C, and particularly with x ≈ 0.

Erratum: Atomic scale modelling of hexagonal structured metallic fission product alloys.

[This corrects the article DOI: 10.1098/rsos.140292.