Interaction between Substitutional and Interstitial Elements in \alpha iron Studied by First-principles CalculationThis Paper was Originally Published in J. Jpn. Inst. Metals 68 (2004) 977--982

Pollution Assessment some of Heavy Metals in Water and Surface Sediments of Nasseri Wetland (Khorramshahr)

Background and Aim:This research was conducted of determining and comparing the heavy metals of zinc, iron, manganese, copper, nickel and vanadium in summer in waters and sediments of Naseri wetland in Khuzestan province, 2017. Material and Methods:Sampling of water and sediments from three areas of north, central and southern Naseri wetland was carried out in summer. In order to measure heavy...

Liquidus Surfaces and Isothermal Section at 1073K in the CaO-Fe_{2}O_{3}-(0--50mol%)B_{2}O_{3} Pseudo-Ternary SystemThis Paper was Originally Published in Japanese in J. Japan Inst. Metals 68 (2004) 152--157

The liquidus surfaces and the isothermal section at 1073K of the pseudo-ternary CaO-Fe2O3-B2O3 system were determined in a composition range of less than 50mol% B2O3 using the thermal analysis and X-ray diffraction. The liquidus surface which is in equilibrium with Fe3O4 spreads over a wide composition range and that in equilibrium with Fe2O3 extends long and narrow toward CaO B2O3 and then tow...

First-principles studies of beryllium doping of GaN

The structural and electronic properties of beryllium substitutional acceptors and interstitial donors in GaN are investigated using first-principles calculations based on pseudopotentials and density-functional theory. In p-type GaN, Be interstitials, which act as donors, have formation energies comparable to that of substitutional Be on the Ga site, which is an acceptor. In thermodynamic equi...

Object Kinetic Monte Carlo calculations of irradiated Fe-Cr dilute alloys: The effect of the interaction radius between substitutional Cr and self-interstitial Fe

Stability, diffusion, and complex formation of beryllium in wurtzite GaN

We have studied the properties of Be dopants in GaN using first principles calculations. Substitutional Be on a Ga site acts as an acceptor, but interstitial Be poses a potential problem because of its low formation energy and donor character. We study the diffusion of interstitial Be and find it to be highly anisotropic. We also study the formation of complexes between substitutional and inter...