A Puzzle of Quantum Phase Transition on Gd-IMC by Tuning of Conduction Electron Concentration

Based on the critical unstable of both crystal and magnetic structure of Gd-intermetallic compound near the competition of two strongly independent subsystem （＂local 4f7＂ and ＂conduction electron concentration＂）, a new QPT （quantum point transition） is predicted by calculation of： （1） The band structure and density of state by density functional theory where a strong narrowing fluidity of fermions around EF with shifted to negative value ＂-0.8 eV ＂is observable in the Gd-intermetalliccompound system while in the Y-case, it is not dominated. An antiferromagnetic state on the fluidity of conduction band can be investigated; （2） The internal magnetic field due to short range exchange interaction Jij between the nearest neighbor of local magnetic moment of stable s-state of Gd （L = 0） through the mean field approximation and of Eigenvalue-Eigenfunction ~.（k） are calculated. While a strong negative value of Jy is predicted, the eigenvalue L（k） of the system shows a strong antiferromagnetic phase in the reciprocal lattice direction 〈010〉, 〈001〉 in the correlation length 3.38 ~A. Although the antiferromagnetic state at Rc 〈_ 3.38 °A is a puzzle but it is completely dominated at Rc = 9 °A after passing through the competition between ）.λmin（O） and λmin（π） in the ranger of 3.2 °A 〈 Rc 〈 9 °A. Since both of the antiferromagnetic subsystems are sensitive to the predicted KF, the effect of decreasing of conduction electron is proposed to investigate, the change of the antiferromagnetic ordering state to the competition of ferromagnetic state （in direction 〈010〉） and antiferromagnetic state （in direction 〈001 〉 and 〈 100〉） resulted to paramagnetic state in the long range Rc = 9 °A.     

Studying the loading impact of silane grafted Fe2O3 nanoparticles on mechanical characteristics of epoxy matrix

This study investigates the loading impact of iron oxide (IO) and silane treated iron oxide (SIO) nanoparticles on thermal, mechanical and morphological behavior of epoxy matrix. Both IO and SIO nanoparticles were loaded with 1, 3 and 5?wt% from the total weight of epoxy matrix. The morphology of IO, and SIO epoxy nanocomposites are investigated by TEM. FTIR spectra are successfully able to confirm the good chemical interaction between SIO nanoparticles and epoxy matrix. Thermal resistance of epoxy IO, and SIO nanocomposites is studied by TGA. The mechanical properties of prepared nanocomposites including storage modulus, tan?δ, stress-strain curves and toughness are studied using DMA at temperature range 25?°C–100?°C. The results approved that loading 3?wt% of SIO nanoparticles improved the morphological, thermal resistance and mechanical characteristics of epoxy matrix.     

A Theoretical Study on the Interaction of Crown Tetraalanylpeptide with NO3- and SO4/2-

Crown peptide is a kind of special conformation found on the homodetic cyclopeptide, regular array about the main chain containing imido groups, and the monolithic conformation presents coronary analogy to crown ether. There are high symmetrical ionophores belonging to Cn point group. The channels or apertures can form easily for recognizing certain ion or molecular, and also the function of intending dual-recognition and the ability for transporting as ionophores can be possessed. Under the method of density functional theory, the geometry structures, values energy and population analysis of the combo of crown tetraalanylpeptide （C4-Ala） with NO3- and SO4/2- are calculated, based on the foundation of former studies. Compared with the structure of C4-AIa without NO3- and SO4/2- it is found that the coronary shape changes little in the complex of C4-Ala-YOm/n-, and the electrons transfer between C4-AIa and YOm/n- at the mean time. There are hydrogen bond between oxygen of YOm/n- and the hydrogen from imine groups of C4-AIa, and they become weaker when the average charge density lessens.