Related papers: Structural characterization of SiO2-Na2O-CaO-B2O3-…
We report on the magnetic properties of geometrically frustrated K3CrO4, in which Cr5+ cations are arranged on a distorted pyrochlore lattice. The crystal structure, static and dynamic magnetic properties of the compound are investigated in…
Hybrid glasses connect emerging fields of metal-organic frameworks (MOFs) with the glass-formation, amorphization, and melting processes of these structurally diverse and chemically versatile systems. Most zeolites, including MOFs,…
Antiferromagnetic Bi_{2}Fe_{4}O_{9} (BFO), lightly substituted by cobalt is studied for magnetodielectricity. The substitution causes a substantial decrease in the Neel temperature (T_N) from 250 K (in parent sample, BFO) to 152 K (in 2% Co…
Composition-driven structural transitions in Bi1-xCaxFe1-xMnxO3 ceramics prepared by the tartaric acid modified sol-gel technique have been studied to analyze its effect on the magnetic properties of bismuth ferrite (BiFeO3). It was…
Experimentally resolving atomic-scale structural changes of a deformed glass remains challenging owing to the disordered nature of glass structure. Here, we show that the structural anisotropy emerges as a general hallmark for different…
The structure and the electronic properties of a sodium tetrasilicate (Na${}_2$Si${}_4$O${}_9$) glass were studied by combined Car-Parrinello and classical molecular-dynamics simulations. The glass sample was prepared using a method…
We report the results of the Ni-based bulk metallic glass structural evolution and crystallization behavior in situ investigation. The X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam diffraction (NBD),…
The excess heat capacity at glass transition temperature in two types of glass-forming systems of [xNaNO3\cdot(1-x)KNO3]60[Ca(NO3)2]40 (0 \leq x \leq 1) and Ca(NO3)2\cdotyH2O (4 \leq y \leq 13) is studied. In the former system, with the…
Several doped 6H hexagonal ruthenates, having the general formula Ba3MRu2O9, have been studied over a significant period of time in order to understand the unusual magnetism of ruthenium metal. However, among them, the M=Fe compound appears…
We discuss the magnetic properties of a Sm$_{2}$Mo$_{2}$O$_{7}$ single crystal as investigated by means of different experimental techniques. In the literature, a conventional itinerant ferromagnetic state is reported for the Mo$^{4+}$…
In this work, we use molecular dynamics simulations to study the enhancement of surface over bulk diffusion (surface enhanced diffusion) in (PbO)x(SiO2)1-x glasses. This work is motivated to better understand surface diffusion in glasses…
The atomic structure of Ni64.5Zr35.5 metallic glass has been investigated by molecular dynamics (MD) simulations. The calculated structure factors from the MD glassy sample at room temperature agree well with the X-ray diffraction (XRD) and…
Polycrystalline LiMnBO3 is a promising cathode material for Li-ion batteries. In this work, we investigated the thermal, structural and electrical properties of glassy and nanocrystallized materials having the same chemical composition. The…
We report on the dynamic and structural characterization of lithium metasilicate $Li_2SiO_3$, a network forming ionic glass, by means of molecular dynamics simulations. The system is characterized by a network of $SiO_4$ tetrahedra…
Multicomponent nanoparticles can be synthesized with either homogeneous or phase-segregated architectures depending on the synthesis conditions and elements incorporated. To understand the parameters that determine their structural fate,…
Quaternary CaO-MgO-Al2O3-SiO2 glasses are important constituents of the Earth's lower crust and mantle, and they also have important industrial applications such as in metallurgical processes, concrete production and emerging low-CO2 cement…
We employed molecular dynamics simulations to explore comparatively the thermo-mechanical behavior of two glass materials-an oxide silica glass (SiO2) and a binary Cu-Zr-based metallic alloy (Cu50Zr50)-during shear and elongation…
An atomistic structural model for melt-quenched B$_2$O$_3$ glass has eluded the simulation community so far. The difficulty lies in the abundance of the six-membered boroxol rings - an intermediate-range order motif suggested through Raman…
We present a corroborative study of structural characterization of lithium substituted barium vanadate glasses using Raman and Electron Paramagnetic Resonance (EPR) spectroscopy. Investigation of the thermal and physical properties of these…
The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid…