The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking f...The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking fault（CSF） energies of the binary Ni3Al alloys with different Al contents and the ternary Ni3Al intermetallic alloys with addition of alloying elements,such as Pd,Pt,Ti,Mo,Ta,W and Re.The results show that the energies of SISF and CSF increase significantly with increase of Al contents in Ni3Al.Addition of Pd and Pt occupying the Ni sublattices does not change the SISF and CSF energies of Ni3Al markedly in comparison with the Ni-23.75Al alloy.While addition of alloying elements,such as Ti,Mo,Ta,W and Re,occupying the Al sublattices dramatically increases the SISF and CSF energies of Ni3Al.The results suggest that the energies of SISF and CSF are dependent both on the Al contents and on the site occupancy of the ternary alloying element in Ni3Al intermetallic alloys.展开更多
An analytical method for the determination of 26 impurity elements （such as Li, Be, Na, Mg, Al, Si, P, S, K, Ca, Sc, Ti, V, Cr, Co, Ni, Ga, Ge, Y, Nb, Mo, Ag, Cd, Sb, W and Pb） in MnZn ferrite powder by direct curre...An analytical method for the determination of 26 impurity elements （such as Li, Be, Na, Mg, Al, Si, P, S, K, Ca, Sc, Ti, V, Cr, Co, Ni, Ga, Ge, Y, Nb, Mo, Ag, Cd, Sb, W and Pb） in MnZn ferrite powder by direct current glow discharge mass spectrometry （GD-MS） was established. MnZn ferrite powder was mixed with copper powder, used as a conductor, and pressed. The effects of MnZn ferrite powder preparation conditions and glow discharge parameters for the sensitivity and stability of signal analysis were investigated. By determining the choice of isotope and the application of the mass resolutions of 4000 （MR, medium resolution） and 10000 （HR, high resolution）, mass spectral interference was eliminated. The contents of impurity elements in MnZn ferrite powder was calculated by subtraction after normalizing the total signal of Mn, Zn, Fe, O and Cu. The results showed that the detection limit of 26 kinds of impurity elements was between 0.002 and 0.57 μg/g, and the relative standard deviation （RSD） was between 3.33% and 32.35%. The accuracy of this method was verified by the ICP-MS. The method was simple and practical, which is applied to the determination of impurity elements in MnZn ferrite powder.展开更多
CaO-based sorbent is considered to be a promising candidate for capturing CO_2 at high temperature. However,the adsorption capacity of CaO decreases sharply with the increase of the carbonation/calcination cycles. In ...CaO-based sorbent is considered to be a promising candidate for capturing CO_2 at high temperature. However,the adsorption capacity of CaO decreases sharply with the increase of the carbonation/calcination cycles. In this study, CaO was derived from calcium acetate(CaAc_2), which was doped with different elements(Mg, Al,Ce, Zr and La) to improve the cyclic stability. The carbonation conversion and cyclic stability of sorbents were tested by thermogravimetric analyzer(TGA). The sorbents were characterized by N_2 isothermal adsorption measurements, scanning electron microscopy(SEM) and X-ray diffraction(XRD). The results showed that the cyclic stabilities of all modified sorbents were improved by doping elements, while the carbonation conversions of sorbents in the 1st cycle were not increased by doping different elements. After 22 cycles, the cyclic stabilities of CaO–Al, CaO–Ce and CaO–La were above 96.2%. After 110 cycles, the cyclic stability of CaO–Al was still as high as 87.1%. Furthermore, the carbonation conversion was closely related to the critical time and specific surface area.展开更多
基金Project(50871065) supported by the National Natural Science Foundation of ChinaProjects(08DJ1400402,09JC1407200,10DZ2290904) supported by the Science and Technology Committee of Shanghai Municipality,China
文摘The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking fault（CSF） energies of the binary Ni3Al alloys with different Al contents and the ternary Ni3Al intermetallic alloys with addition of alloying elements,such as Pd,Pt,Ti,Mo,Ta,W and Re.The results show that the energies of SISF and CSF increase significantly with increase of Al contents in Ni3Al.Addition of Pd and Pt occupying the Ni sublattices does not change the SISF and CSF energies of Ni3Al markedly in comparison with the Ni-23.75Al alloy.While addition of alloying elements,such as Ti,Mo,Ta,W and Re,occupying the Al sublattices dramatically increases the SISF and CSF energies of Ni3Al.The results suggest that the energies of SISF and CSF are dependent both on the Al contents and on the site occupancy of the ternary alloying element in Ni3Al intermetallic alloys.
基金Project(21275162)supported by the National Natural Science Foundation of ChinaProject(KJZH14217)supported by the Achievement Transfer Program of Institutions of Higher Education in Chongqing,ChinaProject(KJ1601224)supported by the Scientific and Technological Research Program of Chongqing Municipal Education Commission,China
文摘An analytical method for the determination of 26 impurity elements （such as Li, Be, Na, Mg, Al, Si, P, S, K, Ca, Sc, Ti, V, Cr, Co, Ni, Ga, Ge, Y, Nb, Mo, Ag, Cd, Sb, W and Pb） in MnZn ferrite powder by direct current glow discharge mass spectrometry （GD-MS） was established. MnZn ferrite powder was mixed with copper powder, used as a conductor, and pressed. The effects of MnZn ferrite powder preparation conditions and glow discharge parameters for the sensitivity and stability of signal analysis were investigated. By determining the choice of isotope and the application of the mass resolutions of 4000 （MR, medium resolution） and 10000 （HR, high resolution）, mass spectral interference was eliminated. The contents of impurity elements in MnZn ferrite powder was calculated by subtraction after normalizing the total signal of Mn, Zn, Fe, O and Cu. The results showed that the detection limit of 26 kinds of impurity elements was between 0.002 and 0.57 μg/g, and the relative standard deviation （RSD） was between 3.33% and 32.35%. The accuracy of this method was verified by the ICP-MS. The method was simple and practical, which is applied to the determination of impurity elements in MnZn ferrite powder.
基金Supported by Capture CO_2 and Storage Technology Jointly Studied by USA and China(2013DFB60140-04)Northwest University Graduate Innovative Talent Training Project(YZZ12036)
文摘CaO-based sorbent is considered to be a promising candidate for capturing CO_2 at high temperature. However,the adsorption capacity of CaO decreases sharply with the increase of the carbonation/calcination cycles. In this study, CaO was derived from calcium acetate(CaAc_2), which was doped with different elements(Mg, Al,Ce, Zr and La) to improve the cyclic stability. The carbonation conversion and cyclic stability of sorbents were tested by thermogravimetric analyzer(TGA). The sorbents were characterized by N_2 isothermal adsorption measurements, scanning electron microscopy(SEM) and X-ray diffraction(XRD). The results showed that the cyclic stabilities of all modified sorbents were improved by doping elements, while the carbonation conversions of sorbents in the 1st cycle were not increased by doping different elements. After 22 cycles, the cyclic stabilities of CaO–Al, CaO–Ce and CaO–La were above 96.2%. After 110 cycles, the cyclic stability of CaO–Al was still as high as 87.1%. Furthermore, the carbonation conversion was closely related to the critical time and specific surface area.
