Related papers: Structural characterization of SiO2-Na2O-CaO-B2O3-…
Although experiments can offer some fingerprints of the atomic structure of glasses (coordination numbers, pair distribution function, etc.), atomistic simulations are often required to directly access the structure itself (i.e., the…
The spin glass behavior of Y2Mo2O7 has puzzled physicists for nearly three decades. Free of bulk disorder within the resolution of powder diffraction methods, it is thought that this material is a rare realization of a spin glass resulting…
It is proposed in this study to observe the influence of P2O5 on the formation of the apatite-like layer in a bioactive glass via a complete PIXE characterization. A glass in the SiO2-CaO-P2O5 ternary system was elaborated by sol-gel…
Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is…
Non magnetic insulators/semiconductors with induced magnetism introduced via transition metal substitution are one of the promising materials in the field of spintronic, magnetoelectronics and magneto optical devices. In this context, here,…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…
The quest for hard and tough transparent oxide glasses is at the core of glass science and technology. Aluminosilicate glasses exhibiting nanoscale phase separation emerge as promising candidates for such materials. Nevertheless, proper…
Various nanostructured thin solid films on silicate based glass plates commonly used as substrates in contemporary vacuum technologies are studied. Evolution of mesostructured spiral and spiral crack patterns as a result of shrinkage or…
Glasses offer a broad range of tunable thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property relation of glasses due to their enormous composition and…
Crystal surfaces are sensitive to the surrounding environment, where atoms left with broken bonds reconstruct to minimize surface energy. In many cases, the surface can exhibit chemical properties unique from the bulk. These differences are…
The magnetic ground state in the double perovskite system Sr2-xCaxCoOsO6 changes from an antiferromagnet (x = 0), to a spin glass (x = 1), to a ferrimagnet (x = 2) as the Ca content increases. This crossover is driven by chemical pressure…
We investigated the structure-property relationship of Co$_2$MnSi Heusler thin films upon the irradiation with He$^+$ ions. The variation of the crystal structure with increasing ion fluence has been probed using nuclear magnetic resonance…
Biotite crystals are phyllosilicate trioctahedral micas with the general chemical formula K(Mg,Fe)3AlSi3O10(OH)2 that form a solid-solution series with iron-poor phlogopite and iron-rich annite endmembers. With a wide band gap energy and a…
The efficiency of glass ceramic sealants plays a crucial role in high temperature applications performance and durability, such as oxygen separation from air. In order to develop suitable sealants, operating at about 950C, several…
In the framework of topological constraint theory, network glasses are classified as flexible, stressed--rigid, or isostatic if the number of atomic constraints is smaller, larger, or equal to the number of atomic degrees of freedom. Here,…
[Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$], a two dimensional misfit metallic compound, is famous for its rich phases accessed by temperature, $i.e.$ high temperature spin-state transition, metal-insulator transition (MIT) at intermediate…
In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…
Three liquid crystalline equimolar mixtures are formulated, each containing the MHPOBC compound and the homolog from the 3FmHPhF6 series with m = 4, 5, and 6. The properties of the mixtures are investigated by differential scanning…
For ion transport in network glasses, it is a great challenge to predict conductivities specifically based on structural properties. To this end it is necessary to gain an understanding of the energy landscape where the thermally activated…