Energy Density Dependence of Bonding Characteristics of Selective Laser-Melted Nb–Si-Based Alloy on Titanium Substrate

Spherical Nb–20Si–24Ti–2Cr–2Al pre-alloyed powders were processed by selective laser melting（SLM） on Ti6Al4V substrates with different energy densities. A series of single tracks and single layers were produced using different processing parameters, including powder size, laser power, scanning speed and hatch distance. Results showed that the pre-alloyed powders ranging from 45 to 75 lm were more applicable to SLM with less balling tendency, in comparison with those between 75 and 180 lm. The increase in linear energy density（LED） resulted in the decrease in contact angle and the increase in the width of single track as well as its penetration depth into the substrate. Smaller hatch distance leaded to a larger remelted part of the former track and a higher volumetric laser energy density. With a thickness of 75.6 lm, an interfacial intermediate layer, enriched in Ti and depleted in Nb, Si, Cr and Al, was formed between the SLM part and the Ti6Al4V substrate. The mechanisms of the elimination of balling phenomenon by employing a higher LED and the interfacial bonding characteristics between Nb–Si-based alloys via SLM and the Ti6Al4V substrate were discussed.

SYNTHESIS AND CHARACTERIZATION OF A NOVEL BONDING TRINUCLEAR(Mo/Fe/Mo) COMPLEX (MoCl_4)_2·dppf

By the reaction of bidentate ligand 1,1'-bis(diphenylphosphino)-ferrocene (dppf) with MoCl_4(CH_3CN)_2, a novel bonding type complex (MoCl_4)2_· (dppf) was synthesized and characterized by elemental analyses, ^(31)p-NMR, IR and electronic spectra, TG and ICP-AES. Structure of the title complex was proposed.

Studies on the Conformations and Hydrogen Bonding of ACE Inhibitory Tripeptide VEF by All-atom Molecular Dynamics Simulations and Molecular Docking

Molecular dynamic simulations and molecular docking are performed to study the conformations and hydrogen bonding interactions of ACE inhibitory tripeptide VEF. Intramolecular distance, radius of gyration, solvent-accessible surface, and root-mean-square deviations are used to characterize the properties of VEF in aqueous solution. The VEF molecule is highly flexible in water and conformations can shift between the extended and folded states. The VEF molecule exists in extended state mostly in aqueous solution and the conformations bonded with ACE are also the extended ones. The findings indicate that MD simulations have a good agreement with the molecular docking analysis.

ELECTRONIC STRUCTURE AND BOND CHARACTER OF COMPLEXES OF RARE EARTH CHLORIDES WITH CROWN ETHERS

A series of lanthanide complexes LnCl_3·L(Ln=La,Pr,Nd;L=15-C-5 or 18-C-6)have been synthesized and their molecular configuration,electronic structure and bond character have been studied by XPS and quantum chemical calculation.The calculated results are in good agreement with that obtained in the experiments.Three Cl atoms are on the same side of Ln in LnCl_3·15-C-5 and the crown ring on the other side.forming a complex molecule with coordination number 8.LnCl_3·15-C-5 is easily hygroscopic in air because of its unsaturated coordination,which differs sharply from the stable Ln(NO_3)_3·15-C-5 com- plex of coordination number 11.The HOMO and neighboring occupied MOs are composed of Cl 3p and O2p, and the LUMO and neighboring unoccupied MOs are composed of Ln orbitals.The level structure easily pro- duces Ln3d satellite in XPS caused by L→Ln charge transfer transition.Due to the coordination,the absolute values of the charge are decreased at Ln and O atoms,but increased at Cl atoms,which is in agreement with XPS results.