Atomistic simulations of point defects in ZrNi intermetallic compounds

Point Defects in B2 Intermetallic Compounds

We are applying perturbed angular correlations (PAC) to study point defects near 111In probes in ordered B2 alloys. Systems studied include NiAl, CoAl, FeAl, CoGa and PdIn Ten different point defect configurations have been observed in annealed, quenched or mechanically-milled samples. The present status of this work is summarized. Systematics of hyperfine interactions of vacancy defects are th...

Atomistic Simulations of Intrinsic and Extrinsic Point Defects in Uranium

comparison of catalytic activity of heteropoly compounds in the synthesis of bis(indolyl)alkanes.

heteropoly acids (hpa) and their salts have advantages as catalysts which make them both economically and environmentally attractive, strong br?nsted acidity, exhibiting fast reversible multi-electron redox transformations under rather mild conditions, very high solubility in polar solvents, fairly high thermal stability in the solid states, and efficient oxidizing ability, so that they are imp...

Driving magnetostructural transitions in layered intermetallic compounds.

We report the dramatic effect of applied pressure and magnetic field on the layered intermetallic compound Pr(0.5)Y(0.5)Mn(2)Ge(2). In the absence of pressure or magnetic field this compound displays interplanar ferromagnetism at room temperature and undergoes an isostructural first order magnetic transition (FOMT) to an antiferromagnetic state below 158 K, followed by another FOMT at 50 K due ...

Quadrupole Interactions in Rare-earth Intermetallic Compounds

A survey of the role played by the one-ion magnetoelastic and two-ion quadrupolar interactions on the magnetic and elastic properties of the rare-earth intermetallic compounds is given. These couplings are present in numerous systems and manifest themselves through a great variety of effects. The study of the multipolar interactions concerning the 4f shell has known a great development about ra...