Ab initio study on the physical properties of CoN3 and RhN3 with skutterudite structure

The elastic and electronic properties of hypothetical CoN3 and RhN3 with cubic skutterudite structure were studied by first principles calculations based on density functional theory. By choosing different initial geometries, two local minima or modifications were located on the potential energy surface, termed as modifications I and II. Both compounds are mechanically stable. For each compound, modification I is lower in energy than II. Thermodynamically stable phases can be achieved by applying pressures. Modification II is lower in energy than I at above 50 GPa for both compounds.

Structures and physical properties of n=3 Ruddlesden-Popper compounds Ca4Mn3-xNbxO10 (0 <= x <= 0.2)

The Ruddlesden-Popper series of compounds Ca4Mn3-xNbxO10(x = 0-0.2) have been prepared by solid-state methods. Structural, magnetic, electrical, and magnetoresistive studies were performed on the compounds. Nb doping caused increases in both unit cell volume and octahedral distortion. The magnetization measurements indicated that the doped samples displayed ferromagnetism-like behavior, which could be explained by the double-exchange interaction between Mn4+ and Mn3+ induced by the charge-compensation effect.

Double-ceramic-layer thermal barrier coatings of La2Zr2O7/YSZ deposited by electron beam-physical vapor deposition

Double-ceramic-layer(DCL) thermal barrier coatings (TBCs) of La2Zr2O7 (LZ) and yttria stabilized zirconia (YSZ) were deposited by electron beam-physical vapor deposition (EB-PVD). The composition, crystal structure, surface and cross-sectional morphologies and cyclic oxidation behavior of the DCL coating were studied. Both the X-ray diffraction (XRD) and thermogravimetric-differential thermal analysis (TG-DTA) prove that LZ and YSZ have good chemical applicability to form a DCL coating. The thermal cycling test at 1373 K in an air furnace indicates the DCL coating has a much longer lifetime than the single layer LZ coating. and even longer than that of the single layer YSZ coating. The failure of the DCL coating is a result of both the bond coat oxidation and the thermal strain between bond coat and ceramic layer generated by the thermal expansion mismatch.

Preparation and Physical Properties of LLDPE Grafted with Novel Nonionic Surfactants

Copolymers of linear low-density polyethylene (LLDPE) grafted with two novel nonionic surfactants, acrylic glycerol monostearate ester (AGMS) and acrylic polyoxyethylenesorbitan monooleate ester (ATW-EEN80), containing hydrophilic and hydrophobic groups and 1-olefin double bond were prepared by using a plasticorder at 190 degrees C. To evaluate the grafting degree, two different approaches based on H-1-NMR data were proposed, and FTIR calibration was showed to validate these methods. The rheological response of the molten polymers, determined under dynamic shear flow at small-amplitude oscillations, indicated that crosslinking formation of the chains could be decreased with increasing the monomer concentration. Their thermal behavior was studied by DSC and polarization microscope (PLM): The crystallization temperature (T-C) of grafted LLDPE shifted to higher temperature compared with neat LLDPE because the grafted chains acted as nucleating agents. Water and glycerol were used to calculate the surface free energy of grafted LLDPE films.