We have studied technogenic, high-uranium zircon, which crystallised from melt formed
during the accident at the Chernobyl Nuclear Power Plant in 1986, by confocal Raman …

The low-temperature heat capacities for a series of synthetic garnets along the pyrope-
grossular (Py-Gr) join were measured with the heat capacity option of the Physical …

The starting point for a quantum mechanical investigation of disordered systems usually
implies calculations on a limited subset of configurations, generated by defining either the …

Solid solutions among zircon (ZrSiO4, I41/amd) and zircon-structured orthosilicates ASiO4
(A= Hf, Th, U, Pu, or Ce) are important to a wide variety of applications: nuclear materials …

Yttrium and the rare-earth elements (Y+ REEs) are incorporated into aluminosilicate garnet
as trivalent ions replacing divalent Mg, Fe, Mn, or Ca (“M2+”) in dodecahedral sites, which …

Abstract The system NaCl-KCl is used as an example to introduce the reader to a variety of
concepts, which form the modern solid solution theory. The chapter starts with the discussion …

Computational techniques are widely used to explore the structure and properties of
nanomaterials. This review surveys the application of both quantum mechanical and force …

The thermodynamic mixing properties of a binary (A x B 1− x) R solid solution are evaluated
from the enthalpies of supercell structures A m− 2 B 2 R m and B m− 2 A 2 R m, where m is …

The thermodynamics of the substitution of titanium within the silicalite framework to form TS-
1 has been investigated using periodic density functional theory. In contrast to previous force …

Static lattice energy calculations (SLEC), based on empirical pair potentials have been
performed for a set of 125 different structures with compositions between pyrope and …