Related papers: Structural characterization of SiO2-Na2O-CaO-B2O3-…
Molecular dynamics simulations were performed to study the effects of Si solute on the glass formation and crystallization of Pd liquid. Pure Pd sample prepared by quenching process with cooling rate of $10^{13}$ K/s can be in an amorphous…
The magnetic glassy state is a fascinating phenomenon, which results from the kinetic arrest of the first order magnetic phase transition. Interesting properties, such as metastable magnetization and nonequilibrium magnetic phases, are…
The electric properties of a model fast-ion electrolyte ((100-x)SiS2-xNa2S) glass are investigated by means of classical molecular dynamics simulations. These systems appear promising for battery applications and the conductivity is thought…
Carbon mineralization in basaltic rocks may offer rapid, permanent \ce{CO2} storage, yet fundamental controls on reactive transport and precipitation patterns remain poorly understood. This study integrates flow-through experiments at…
Here, we investigated the influence of grain formation on the magnetization reversal of SmCo5/Co at low temperature. A set of SmCo5/Co bi-layer samples were fabricated under identical conditions on MgO(100) and glass substrates with a Cr…
Melt-fragility index (m) and glass molar volumes (Vm) of binary Ge-Se melts/glasses are found to change reproducibly as they are homogenized. Variance of Vm decreases as glasses homogenize, and the mean value of Vm increases to saturate at…
Both structural glasses and disordered crystals are known to exhibit anomalous thermal, vibrational, and acoustic properties at low temperatures or low energies, what is still a matter of lively debate. To shed light on this issue, we…
Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (Na$_2$O)$_{0.25}$(SiO$_2$)$_{0.75}$ (NS3). The model (containig 84 atoms) is obtained by quenching…
Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of ${\rm Cu_{64.5}Zr_{35.5}}$ alloy during the cooling in a wide range of cooling rates $\gamma\in(1.5\cdot 10^{9},10^{13})$ K/s.…
Glasses based on SiO2-PbO-CdO-Ga2O3 system have been studied for the first time for fabrication of mid-infrared optical elements. Gallium oxide concentration was gradually increased, replacing silicon dioxide, for different cadmium and lead…
ABO3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and…
Motivated by old experiments on colloidal suspensions, we report molecular dynamics simulations of assemblies of hard spheres, addressing crystallization and glass formation. The simulations cover wide ranges of polydispersity s (standard…
Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures,…
Long-term chemical durability of glass, crucial for immobilizing nuclear waste, is governed by glass properties such as composition, surface geometry, as well as external factors like thermodynamic conditions and surrounding medium. Despite…
Magnetic study on La2CoMnO6 nanoparticles revealed multiple magnetic transitions at 218 K, 135 K and below 38 K and the nature of the low temperature transition was unclear [J Appl Phys 111, 024102 2012]. Presence of mixed valance states of…
This high level liquid radioactive reprocessing waste will become vitrified in order to obtain a stable borosilicate waste glass matrix that provides protection against environmental dispersion. Since vitrified waste is in a solid form,…
Rotation of crystal seed during the early stages of growth in a glass matrix has been observed due to some torque, contradicting the expectations from the isotropic, uniform structure of the surrounding amorphous matrix. We establish an…
Bulk metallic glass forms when liquid metal alloys solidify without crystalization. In the search for Iron-based bulk glass-forming alloys of the metal-metalloid type (Fe-B- and Fe-C-based), crystals based on the structural prototype C6Cr23…
The NaNO$_{2}$ nanocomposite ferroelectric material in porous glass was studied by neutron diffraction. For the first time the details of the crystal structure including positions and anisotropic thermal parameters were determined for the…
Morphology plays a crucial role in deciding the chemical and optical properties of nanomaterials due to confinement effects. We report the morphology transition of colloidal molybdenum disulfide (MoS$_2$) nanostructures, synthesized by one…