using ab initio calculations, the hydrogen desorption from magnesium hydride (mgh2) was studied. we presented the calculated nuclear quadrupole coupling constants (nqccs) of hydrogen atom in various systems of mgh2. the effect of interactions of some metal atoms as well as boron atom with mgh2 host matrix; (mgh2+m) nanostructures (m=al, ti, v, fe, ni and b); were studied and 2h-nqccs were calcu...

in this study, undoped zno and doped with fe and mn nanostructures were synthesized by hydrothermal method. the morphology of nanostructures was characterized by scanning electron microscope. the electrochemical response of the carbon paste electrode modified with nanoparticles of zno and also zno doped with fe and mn toward levodopa (l-dopa) was studied. studies of cyclic voltammetry using pro...

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...

Finite element methods are commonly used to model melting problems where the problem domain is defined using a mesh support. When the domain evolves the mesh becomes very distorted, and remeshing as well as field projection between successive meshes are then required [5]. Moreover, to represent the thermal transmission conditions through the interface (melting or solidification fronts) the inte...

Van der Waals α-MoO3 samples offer a wide range of attractive catalytic, electronic, and optical properties. We present herein an emission Mössbauer spectroscopy (eMS) study the electric-field gradient (EFG) anisotropy in crystalline free-standing samples. Although is two-dimensional (2D) material, scanning electron microscopy shows that crystals are 0.5–5-µm thick. The combination X-ray diffra...

Graphical user interfaces (GUIs) encode, as event sequences, potentially unbounded ways to interact with software. During testing it becomes necessary to effectively sample the GUI’s event space. Ideally, for increasing the efficiency and effectiveness of GUI testing, one would like to sample the GUI’s event space by only generating sequences that (1) are allowed by the GUI’s structure, and (2)...

Abstract We present high (> 2 T) magnetic field β NMR measurements of 8 Li + implanted in single crystals sapphire, a commonly used backing material for other samples. From the well-resolved quadrupolar splitting, we extract electric gradient (EFG) at site. Comparison with supercell density functional theory calculations EFG allows us to identify octahedral interstitial site as most likely c...